A0A3Q0KC07_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KC07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 837 aa.

						>A0A3Q0KC07_SCHMA|A0A3Q0KC07
MPKSLRYDLWGDRLTSRQYECSSNTYDESYQLRDEYSRKHKKHSHHSKEHGNHSSKYSSHKHKRTSDWSPEVSPNDAPKRKKKHKKRSRSHSSGRKVPVSRRHSPECTDISSFKFRSSLMSELSKHHNFREKILKAQNVHGTHEAEDVCPVSTERDSKQSNVKCFEAPKSESSLIPLDEIALPPEPSRKLSSLVTSSVSTPLSKGTAMRDSNPDSTVKDSHRTDLPQTNKLLKTHQLPLPTETPCEDKKPSITELPLPPGFDSSNLDTIFPNKSPKHSVPGSTVKPASRQRITKRPKICALRSKSRNNKTWGERSVTAFDTLIQVGEGTYGHVYKARDKITGEYKALKKVRLENEREGFPITAVREIKILRQLRHPNIVNLCEIVTDKDDPTDFKKDKGAFFLVFDYMDHDLYGILESGLVTFSEQHIASLMKQLLDGLSFCHDRHFLHRDIKCSNILINNKGQLKLADFGLARLYIAGDKERPYTNKVITLWYRPPELLLGEERYGPAVDIWSCGCILGEMFTRRPMFQASEEVEQLEVISRICGYPDPAIWPNVEKLPFYSTIKPKKMYRRRLREEYHIIPPHAVDLLDHMLQLDPQKRCSAREALASPWLRNIDPTKISPPRLPVDQDCHEMWSKRRRRMLRQEQEVKAQRISRETSSSKFPAVTSRISIADANSVSNGPSRNQLYSTSSRSGSVKQSIPNKLTSDGFRDSSFNMTQLRHPQISTDPTDSTTNLKNQLRDLLADFADSGIDRFKESITEALKANPNLLKGMQELLGPSDPSENASAVLAYILSLLADLSSQSSTAMEMSDASIQTASSQIHPQHLPRDSNSRLT
					

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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	32.2	Very low	30.5	Very low	241 Å²	241	170.6 Å²	170.6	100%	1.187	84%	0.837	S	S	*	*				0	115.2	0	-72.4	-57.9	-171.8	0	0	108.8
2	P	35.5	Very low	30.6	Very low	121 Å²	121	169.4 Å²	169.4	79%	0.786	84%	0.837	S	S	*	*			trans	-104.5	146.5	-175	36.7	-31	0	0	0	113.8
3	K	31.7	Very low	30.3	Very low	208 Å²	208	174 Å²	174	90%	0.904	84%	0.839	S	S	*	*			trans	-168.3	151.7	151.6	-111.5	162.9	-174.2	179.2	0	113.1
4	S	31.1	Very low	30.3	Very low	99 Å²	99	172.7 Å²	172.7	69%	0.692	84%	0.838	S	S	*	*			trans	56.1	100.2	161.3	54.1	0	0	0	0	121.6
5	L	29.9	Very low	30.3	Very low	171 Å²	171	169.2 Å²	169.2	90%	0.895	83%	0.831	S	S	*	*				67.3	101.1	120	-66.4	158.7	0	0	0	120.9
6	R	27.7	Very low	30.1	Very low	222 Å²	222	166.4 Å²	166.4	84%	0.838	83%	0.833	S	S	*	*			trans	-145.6	179.3	145.6	-91.3	-168	176.5	179.5	-1.9	108.8
7	Y	31.8	Very low	30	Very low	219 Å²	219	167.2 Å²	167.2	86%	0.859	82%	0.824	S	S	*	*			trans	91.2	102.6	-164.2	-58.5	-62	0	0	0	111.5
8	D	29.2	Very low	29.7	Very low	118 Å²	118	166.7 Å²	166.7	63%	0.631	82%	0.819	S	S	*	*			cis	63.9	122.3	12.7	-66.1	-35.1	0	0	0	117.6
9	L	28.7	Very low	29.7	Very low	158 Å²	158	169.3 Å²	169.3	83%	0.827	82%	0.821	S	S	*	*			trans	53.8	93.9	150	-61.8	170.1	0	0	0	119
10	W	28.8	Very low	29.5	Very low	262 Å²	262	169 Å²	169	99%	0.992	82%	0.818	S	S	*	*			trans	-119.8	80.2	145.8	-97.6	60.5	0	0	0	109.6
11	G	28.7	Very low	29.3	Very low	58 Å²	58	165.4 Å²	165.4	60%	0.598	81%	0.809	S	S	*	*			trans	-94.5	178.9	168.6	0	0	0	0	0	112.5
12	D	31.5	Very low	29.2	Very low	156 Å²	156	158.5 Å²	158.5	83%	0.834	78%	0.784	S	S	*	*			trans	45.8	103.1	157.5	-56.5	-19.8	0	0	0	119.8
13	R	27.5	Very low	28.8	Very low	229 Å²	229	158 Å²	158	86%	0.864	78%	0.784	S	S	*	*				178.8	95.7	112	-93.7	165.4	-160.6	-133.5	4.5	111.7
14	L	30.1	Very low	28.6	Very low	156 Å²	156	153 Å²	153	82%	0.817	77%	0.767	S	S	*	*			trans	-141.5	74.7	151.4	-102.6	172.6	0	0	0	107.8
15	T	30.8	Very low	28.5	Very low	120 Å²	120	153.7 Å²	153.7	74%	0.736	77%	0.767	S	S	*	*			trans	-70.4	168.2	176.4	40.9	0	0	0	0	112	R17	T15-R17 PolarHBondContact O-N 3.04Å
16	S	27.2	Very low	28.5	Very low	124 Å²	124	155.1 Å²	155.1	87%	0.867	76%	0.762	S	S	*	*			trans	-33.9	117.9	177.4	-50.5	0	0	0	0	115
17	R	27.7	Very low	28.7	Very low	181 Å²	181	148.6 Å²	148.6	68%	0.683	74%	0.744	S	S	*	*			trans	-118	130	147.7	-90.2	-173.1	163.5	170.2	-4.1	108.2	T15 Y19	T15-R17 PolarHBondContact O-N 3.04Å; R17-Y19 PolarHBondContact O-N 2.86Å
18	Q	25.1	Very low	28.6	Very low	158 Å²	158	141.6 Å²	141.6	74%	0.738	72%	0.719	S	S	*	*			trans	-55.6	128.3	179.2	-71.1	148.2	-83.8	0	0	110.5	E20	Q18-E20 PolarHBondContact NE2-OE2 3.48Å
19	Y	29.6	Very low	28.7	Very low	215 Å²	215	140.3 Å²	140.3	84%	0.843	72%	0.719	S	S	*	*			trans	-111.8	61.7	152.8	-94.5	-83	0	0	0	108.6	R17 C21	R17-Y19 PolarHBondContact O-N 2.86Å; Y19-C21 HydrophobicContact CD1-CB 4.21Å; Y19-C21 PolarHBondContact O-N 2.61Å
20	E	24.6	Very low	29	Very low	164 Å²	164	140.7 Å²	140.7	77%	0.766	71%	0.711	S	S	*	*			trans	-67.8	77.2	154.2	-73.7	176.7	104.1	0	0	107.9	Q18	Q18-E20 PolarHBondContact NE2-OE2 3.48Å
21	C	26.3	Very low	29.2	Very low	93 Å²	93	134.1 Å²	134.1	63%	0.628	69%	0.691	S	S	*	*			trans	-148.4	95.5	176.9	-153.3	0	0	0	0	110	Y19	Y19-C21 HydrophobicContact CD1-CB 4.21Å; Y19-C21 PolarHBondContact O-N 2.61Å
22	S	29.7	Very low	29.4	Very low	96 Å²	96	135.9 Å²	135.9	67%	0.671	69%	0.687	S	S	*	*			trans	60.8	71.8	165.8	-53.3	0	0	0	0	117	N24	S22-N24 PolarHBondContact O-N 3.28Å
23	S	27.3	Very low	29.6	Very low	111 Å²	111	136 Å²	136	78%	0.776	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.9	126	133.6	50.6	0	0	0	0	110.4
24	N	27.1	Very low	30.1	Very low	104 Å²	104	129.7 Å²	129.7	56%	0.556	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	167.6	-30.2	154.3	-101.1	22.9	0	0	0	112.9	S22 Y26 D27 E28	S22-N24 PolarHBondContact O-N 3.28Å; N24-Y26 PolarHBondContact O-N 3.02Å; N24-D27 PolarHBondContact O-N 3.49Å; N24-E28 HydrophobicContact CB-CG 4.34Å; N24-E28 WeakPolarHBondContact CB-OE1 3.31Å; N24-E28 PolarHBondContact ND2-OE1 3Å
25	T	28.6	Very low	30.4	Very low	113 Å²	113	127.1 Å²	127.1	69%	0.693	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	16.9	-159.7	51.3	0	0	0	0	116.8
26	Y	31.1	Very low	30.7	Very low	200 Å²	200	130.9 Å²	130.9	78%	0.784	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	-8.5	171.2	-114.2	-94	0	0	0	115	N24	N24-Y26 PolarHBondContact O-N 3.02Å
27	D	31.8	Very low	31.3	Very low	86 Å²	86	130 Å²	130	46%	0.46	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.7	-27.1	178.6	-164.7	8	0	0	0	112.9	N24 S29 Y30 Q31	N24-D27 PolarHBondContact O-N 3.49Å; D27-S29 PolarHBondContact O-N 3.32Å; D27-Y30 PolarHBondContact O-N 3.09Å; D27-Q31 VanDerWaalsContact CG-NE2 3.34Å; D27-Q31 PolarHBondContact O-N 3.02Å; D27-Q31 PolarHBondContact OD2-NE2 3.06Å
28	E	28.9	Very low	31.9	Very low	71 Å²	71	130 Å²	130	33%	0.332	64%	0.638	S	S	.	*	H	α-helix	trans	-54.3	-23.4	178.6	-74.8	178.2	168.2	0	0	114.4	N24 Y30 Q31 L32	N24-E28 HydrophobicContact CB-CG 4.34Å; N24-E28 WeakPolarHBondContact CB-OE1 3.31Å; N24-E28 PolarHBondContact ND2-OE1 3Å; E28-Y30 VanDerWaalsContact C-N 3.27Å; E28-Y30 PolarHBondContact O-N 3.32Å; E28-Q31 PolarHBondContact O-N 2.8Å; E28-L32 HydrophobicContact CB-CD1 3.92Å; E28-L32 HydrophobicContact CB-CG 4.26Å; E28-L32 VanDerWaalsContact O-CB 3.29Å; E28-L32 WeakPolarHBondContact O-CB 3.45Å; E28-L32 WeakPolarHBondContact O-CG 3.48Å; E28-L32 PolarHBondContact O-N 3.14Å
29	S	31.6	Very low	32.6	Very low	91 Å²	91	129.8 Å²	129.8	64%	0.636	64%	0.635	S	S	*	*	H	α-helix	trans	-68.3	-19.1	176.1	74.8	0	0	0	0	115	D27	D27-S29 PolarHBondContact O-N 3.32Å
30	Y	34.4	Very low	33.2	Very low	166 Å²	166	128 Å²	128	65%	0.651	63%	0.634	S	S	*	*	H	α-helix	trans	-100.6	-34.5	170.9	-88.2	-88.3	0	0	0	112.6	D27 E28	D27-Y30 PolarHBondContact O-N 3.09Å; E28-Y30 VanDerWaalsContact C-N 3.27Å; E28-Y30 PolarHBondContact O-N 3.32Å
31	Q	33.8	Very low	33.8	Very low	125 Å²	125	129.1 Å²	129.1	58%	0.584	64%	0.636	S	S	*	*	H	α-helix	trans	-79.8	-35.1	-175.6	-57.2	-166.5	11.9	0	0	114.1	D27 E28 R33 D34	D27-Q31 VanDerWaalsContact CG-NE2 3.34Å; D27-Q31 PolarHBondContact O-N 3.02Å; D27-Q31 PolarHBondContact OD2-NE2 3.06Å; E28-Q31 PolarHBondContact O-N 2.8Å; Q31-R33 PolarHBondContact O-N 2.92Å; Q31-D34 PolarHBondContact O-N 3.33Å
32	L	32.5	Very low	34.4	Very low	95 Å²	95	133.7 Å²	133.7	50%	0.497	65%	0.646	S	S	.	*	H	α-helix	trans	-69.2	-3.2	-175.8	-74.4	172.5	0	0	0	115.5	E28	E28-L32 HydrophobicContact CB-CD1 3.92Å; E28-L32 HydrophobicContact CB-CG 4.26Å; E28-L32 VanDerWaalsContact O-CB 3.29Å; E28-L32 WeakPolarHBondContact O-CB 3.45Å; E28-L32 WeakPolarHBondContact O-CG 3.48Å; E28-L32 PolarHBondContact O-N 3.14Å
33	R	36.3	Very low	34.8	Very low	157 Å²	157	137.7 Å²	137.7	59%	0.592	65%	0.653	S	S	*	*	H	α-helix	trans	-80.6	-23.7	178	-93.5	-177.8	170.9	-122.7	-7.8	114.6	Q31	Q31-R33 PolarHBondContact O-N 2.92Å
34	D	37.7	Very low	35.1	Very low	97 Å²	97	136.7 Å²	136.7	52%	0.519	65%	0.646	S	S	.	*	H	α-helix	trans	-91.3	-26.1	-173.7	-107.1	34.9	0	0	0	113.9	Q31 R38	Q31-D34 PolarHBondContact O-N 3.33Å; D34-R38 WeakPolarHBondContact O-CD 3.42Å; D34-R38 WeakPolarHBondContact O-CG 3.39Å; D34-R38 PolarHBondContact O-NE 3.23Å; D34-R38 IonicContact OD2-CZ 3.19Å; D34-R38 IonicContact OD2-NH2 2.68Å; D34-R38 PolarHBondContact OD2-NH2 2.86Å
35	E	36.7	Very low	35.7	Very low	103 Å²	103	139.4 Å²	139.4	48%	0.481	66%	0.655	S	S	.	*	H	α-helix	trans	-71.1	-39.5	175.9	-84.8	-142.1	89.9	0	0	113.3	S37 R38 K39	E35-S37 PolarHBondContact O-N 3.43Å; E35-R38 PolarHBondContact O-N 2.91Å; E35-K39 IonicContact OE1-NZ 3.98Å; E35-K39 PolarHBondContact OE1-NZ 3.23Å; E35-K39 IonicContact OE2-NZ 3.4Å
36	Y	37.2	Very low	36.1	Very low	199 Å²	199	142.3 Å²	142.3	78%	0.78	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-22.2	-176.7	-102.1	-87.1	0	0	0	113.7
37	S	40	Very low	36.4	Very low	105 Å²	105	136.5 Å²	136.5	73%	0.734	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-13	174.2	-65	0	0	0	0	114.1	E35	E35-S37 PolarHBondContact O-N 3.43Å
38	R	40.2	Very low	36.6	Very low	181 Å²	181	140.7 Å²	140.7	68%	0.683	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-16.6	-172.7	-68.3	176.8	-166.2	-156.5	6.8	114.3	D34 E35	D34-R38 WeakPolarHBondContact O-CD 3.42Å; D34-R38 WeakPolarHBondContact O-CG 3.39Å; D34-R38 PolarHBondContact O-NE 3.23Å; D34-R38 IonicContact OD2-CZ 3.19Å; D34-R38 IonicContact OD2-NH2 2.68Å; D34-R38 PolarHBondContact OD2-NH2 2.86Å; E35-R38 PolarHBondContact O-N 2.91Å
39	K	40.1	Very low	37	Very low	154 Å²	154	142.9 Å²	142.9	67%	0.67	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	7	-175.4	-77.2	166.2	171.7	153.8	0	115.9	E35	E35-K39 IonicContact OE1-NZ 3.98Å; E35-K39 PolarHBondContact OE1-NZ 3.23Å; E35-K39 IonicContact OE2-NZ 3.4Å
40	H	42.2	Very low	37.4	Very low	178 Å²	178	147.7 Å²	147.7	82%	0.824	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	20.8	-176.8	-93.5	-65.9	0	0	0	116.1
41	K	37.2	Very low	37.5	Very low	186 Å²	186	142.9 Å²	142.9	81%	0.809	69%	0.687	S	S	*	*	S	Bend	trans	-138.2	139.8	169.5	-79.6	-178.7	176.9	171.3	0	111.3
42	K	38.8	Very low	37.7	Very low	189 Å²	189	143.6 Å²	143.6	82%	0.822	69%	0.694	S	S	*	*			trans	70.2	136.6	-167.4	-42.8	170.6	-178.1	178.5	0	111.3
43	H	37.7	Very low	38.1	Very low	180 Å²	180	147.3 Å²	147.3	83%	0.833	71%	0.709	S	S	*	*			cis	-124	161.3	7.9	-81.6	-100.5	0	0	0	113.1
44	S	32.8	Very low	38.1	Very low	90 Å²	90	145.1 Å²	145.1	63%	0.629	72%	0.717	S	S	*	*			trans	-114	172.8	167.3	51.9	0	0	0	0	111.2
45	H	39.3	Very low	38	Very low	161 Å²	161	144.8 Å²	144.8	75%	0.745	72%	0.723	S	S	*	*			trans	97.9	113.5	167.7	-58.9	-80.4	0	0	0	119.3
46	H	38	Very low	38.1	Very low	175 Å²	175	148.1 Å²	148.1	81%	0.81	74%	0.736	S	S	*	*			trans	64.4	149.5	141.1	-84.4	19.6	0	0	0	120.3
47	S	37.1	Very low	38.1	Very low	77 Å²	77	148.4 Å²	148.4	54%	0.538	74%	0.737	S	S	.	*			cis	-172.8	139.1	-22.5	-108.2	0	0	0	0	110.6
48	K	36	Very low	38	Very low	174 Å²	174	148.3 Å²	148.3	76%	0.757	74%	0.736	S	S	*	*			trans	64	164	151.9	-70.7	176.1	151.3	-143.2	0	116.8
49	E	37.6	Very low	37.9	Very low	118 Å²	118	144.1 Å²	144.1	55%	0.551	74%	0.735	S	S	*	*			cis	-155.3	161.8	3.8	-134.9	152.4	-156.1	0	0	113.2
50	H	39.8	Very low	38	Very low	192 Å²	192	145.1 Å²	145.1	89%	0.889	74%	0.741	S	S	*	*			trans	58.9	152	163.9	-53.3	-56.7	0	0	0	120.5
51	G	37.5	Very low	37.8	Very low	65 Å²	65	146.3 Å²	146.3	67%	0.67	74%	0.744	S	S	*	*			cis	174.9	155.7	-11.7	0	0	0	0	0	115.8
52	N	37.2	Very low	37.8	Very low	139 Å²	139	146.3 Å²	146.3	74%	0.743	75%	0.747	S	S	*	*			trans	73.6	119.1	155.6	-67.5	0.6	0	0	0	124.9
53	H	39.8	Very low	37.9	Very low	173 Å²	173	147.5 Å²	147.5	80%	0.801	75%	0.752	S	S	*	*				61.2	147.3	128.2	-65.1	-47.2	0	0	0	122.4
54	S	36.9	Very low	37.7	Very low	111 Å²	111	149.4 Å²	149.4	78%	0.776	75%	0.752	S	S	*	*			cis	-154	-173.3	0.8	64.7	0	0	0	0	114.4
55	S	36.6	Very low	37.8	Very low	91 Å²	91	150.9 Å²	150.9	64%	0.636	76%	0.757	S	S	*	*			trans	-67.5	161.7	-172.1	57.1	0	0	0	0	118.3
56	K	38.2	Very low	37.7	Very low	173 Å²	173	148.2 Å²	148.2	75%	0.752	76%	0.756	S	S	*	*				-177.9	152	88.4	-106.4	168	-173.7	172.7	0	116
57	Y	37.6	Very low	37.5	Very low	205 Å²	205	146.6 Å²	146.6	80%	0.804	75%	0.754	S	S	*	*			trans	47.2	122.5	161.8	-67.4	-77.8	0	0	0	120.4
58	S	38.4	Very low	37.3	Very low	103 Å²	103	154.5 Å²	154.5	72%	0.72	77%	0.772	S	S	*	*				83	140	69.4	-150.6	0	0	0	0	113.6
59	S	38.2	Very low	37.2	Very low	93 Å²	93	151 Å²	151	65%	0.65	77%	0.77	S	S	*	*			cis	-157.5	151.4	22.8	67.9	0	0	0	0	115.8
60	H	40.9	Very low	37.4	Very low	174 Å²	174	151.4 Å²	151.4	81%	0.806	78%	0.783	S	S	*	*			trans	58.9	133.1	143	-66.5	22.2	0	0	0	120.4
61	K	37.6	Very low	37.1	Very low	203 Å²	203	150.9 Å²	150.9	88%	0.883	78%	0.78	S	S	*	*				-162.7	162.5	55.1	-127.7	164	-172.3	172	0	112.7
62	H	38	Very low	37.1	Very low	187 Å²	187	154.5 Å²	154.5	87%	0.866	79%	0.789	S	S	*	*			trans	-109.5	155.3	-173.3	-72.8	-88.4	0	0	0	116.2
63	K	41.5	Very low	37.1	Very low	213 Å²	213	153.1 Å²	153.1	93%	0.926	79%	0.79	S	S	*	*				-159.8	160.7	122.3	-114.6	179.9	179.3	-175.5	0	112.2
64	R	32.2	Very low	37.6	Very low	220 Å²	220	150 Å²	150	83%	0.83	79%	0.785	S	S	*	*			trans	-159	162.7	-167.9	-151	-168.4	-172.3	-166.5	2.3	111.2
65	T	36.1	Very low	37.6	Very low	121 Å²	121	151.8 Å²	151.8	74%	0.742	79%	0.786	S	S	*	*			trans	64.3	155.6	158.4	35.7	0	0	0	0	118.1
66	S	36.6	Very low	37.7	Very low	105 Å²	105	155.5 Å²	155.5	73%	0.734	80%	0.799	S	S	*	*			cis	-161.3	177.3	-3.2	37.4	0	0	0	0	111.8
67	D	34.6	Very low	37.8	Very low	142 Å²	142	151.2 Å²	151.2	76%	0.759	80%	0.796	S	S	*	*			trans	-72	170.1	-176	-40.4	-98.3	0	0	0	116.2
68	W	31.9	Very low	38.2	Very low	243 Å²	243	145.9 Å²	145.9	92%	0.92	79%	0.786	S	S	*	*				167	164.9	122.6	-98.4	69.8	0	0	0	113.3
69	S	34.6	Very low	38.2	Very low	100 Å²	100	149.4 Å²	149.4	70%	0.699	79%	0.789	S	S	*	*			trans	-133.8	172.1	174.4	-53	0	0	0	0	108.3
70	P	41.4	Very low	38.3	Very low	127 Å²	127	155.7 Å²	155.7	83%	0.825	80%	0.798	S	S	*	*			cis	-149.1	-140.9	46.9	43.4	-18.7	0	0	0	115.5
71	E	33.1	Very low	38.2	Very low	181 Å²	181	157.6 Å²	157.6	85%	0.846	80%	0.804	S	S	*	*			trans	-90.1	164.8	-161.8	-50.8	172.6	108.8	0	0	116.6
72	V	38.4	Very low	38.2	Very low	140 Å²	140	157 Å²	157	85%	0.848	80%	0.801	S	S	*	*				176.2	160.2	121.1	152	0	0	0	0	109.7
73	S	36.7	Very low	38.3	Very low	110 Å²	110	157.6 Å²	157.6	77%	0.769	80%	0.802	S	S	*	*			trans	-114	-153.3	-169.2	-59.9	0	0	0	0	114.2
74	P	49.4	Very low	38.3	Very low	107 Å²	107	155 Å²	155	70%	0.695	79%	0.793	S	S	*	*				-131.4	169.3	-103.5	41.3	-24.4	0	0	0	116.5
75	N	37.4	Very low	38.6	Very low	150 Å²	150	153 Å²	153	80%	0.802	79%	0.79	S	S	*	*			trans	165.4	133.6	134.4	-86.9	-33.8	0	0	0	111.9
76	D	39.6	Very low	38.7	Very low	169 Å²	169	156 Å²	156	90%	0.904	79%	0.792	S	S	*	*				172.2	162.3	116.3	-107.4	-29.8	0	0	0	114
77	A	39.3	Very low	38.6	Very low	83 Å²	83	162.2 Å²	162.2	69%	0.686	80%	0.8	S	S	*	*			trans	-134.4	-169.7	176.8	0	0	0	0	0	108.4
78	P	46.9	Very low	38.8	Very low	93 Å²	93	161.1 Å²	161.1	60%	0.604	80%	0.804	S	S	*	*			cis	-155.5	-158.2	21.7	36.1	-7.8	0	0	0	116.9
79	K	38.3	Very low	38.8	Very low	177 Å²	177	160.8 Å²	160.8	77%	0.77	80%	0.802	S	S	*	*			trans	75.4	151.3	159.1	-60.6	150.6	-176.4	160.4	0	116.7
80	R	39	Very low	39	Very low	224 Å²	224	161.9 Å²	161.9	85%	0.845	81%	0.809	S	S	*	*			cis	-172.2	144.4	-16.3	-110.8	178.8	172.1	-171.4	-1.2	110.4
81	K	40.7	Very low	38.8	Very low	215 Å²	215	164.6 Å²	164.6	94%	0.935	81%	0.811	S	S	*	*				174.4	165	127.6	-94.2	162.2	-175.1	177.2	0	112.3
82	K	36.5	Very low	39.1	Very low	189 Å²	189	161.6 Å²	161.6	82%	0.822	81%	0.81	S	S	*	*			trans	-136.3	155.1	-165.2	-64.9	178.8	175.8	179.7	0	114.3
83	K	41	Very low	39.1	Very low	201 Å²	201	160.5 Å²	160.5	87%	0.874	81%	0.808	S	S	*	*			trans	-170.4	122.3	146.4	-96.9	161.6	-178.3	-177.4	0	106.6
84	H	40.9	Very low	39	Very low	159 Å²	159	158.8 Å²	158.8	74%	0.736	81%	0.808	S	S	*	*				69.7	134.4	62.7	-69.8	-46.7	0	0	0	113.7
85	K	39	Very low	38.4	Very low	178 Å²	178	166 Å²	166	77%	0.774	82%	0.822	S	S	*	*			cis	-166.1	165.2	6.8	-148.8	173.5	-178.7	173.3	0	112.3
86	K	38.6	Very low	38.5	Very low	182 Å²	182	168.6 Å²	168.6	79%	0.791	83%	0.826	S	S	*	*			trans	71.9	135.4	168.6	-56.9	-176.5	-175.8	-177.7	0	115.9
87	R	33.2	Very low	38.4	Very low	236 Å²	236	166.3 Å²	166.3	89%	0.891	82%	0.818	S	S	*	*				71.8	134	53.3	-75.7	-171.6	170.1	-174.8	-2	112.4
88	S	38.3	Very low	38.2	Very low	120 Å²	120	168.4 Å²	168.4	84%	0.839	82%	0.824	S	S	*	*			cis	-148.4	-177.3	43.2	-63.7	0	0	0	0	116
89	R	32.8	Very low	37.5	Very low	236 Å²	236	170.1 Å²	170.1	89%	0.891	83%	0.833	S	S	*	*			trans	-109.4	157.9	173.2	-72	173.9	166.5	160.6	-7.8	111.6
90	S	39	Very low	37.4	Very low	122 Å²	122	166.8 Å²	166.8	85%	0.853	83%	0.832	S	S	*	*			trans	-156.1	152.8	152	49	0	0	0	0	111.9
91	H	36.2	Very low	37.1	Very low	185 Å²	185	167 Å²	167	86%	0.856	83%	0.832	S	S	*	*			trans	-121.2	155.5	173.7	-69.5	-97.6	0	0	0	109.5
92	S	40.1	Very low	36.6	Very low	118 Å²	118	167.8 Å²	167.8	83%	0.825	83%	0.83	S	S	*	*			trans	-163.3	157.4	146.4	54.9	0	0	0	0	113.7
93	S	39	Very low	36.4	Very low	116 Å²	116	167.3 Å²	167.3	81%	0.811	83%	0.83	S	S	*	*			trans	-52.1	165.4	170.4	46.1	0	0	0	0	115.5
94	G	34.5	Very low	35.8	Very low	75 Å²	75	163.1 Å²	163.1	77%	0.773	83%	0.826	S	S	*	*			cis	123.1	134.9	3.4	0	0	0	0	0	113.3
95	R	36.2	Very low	35.7	Very low	259 Å²	259	161.3 Å²	161.3	98%	0.977	83%	0.828	S	S	*	*			trans	-147.6	168.1	172.6	-127.7	177.6	-174.8	-167.4	0.3	112.3
96	K	39	Very low	35.2	Very low	203 Å²	203	161.2 Å²	161.2	88%	0.883	83%	0.831	S	S	*	*			trans	-104.7	167.7	-154.9	-69.5	-178.2	176.9	179.7	0	116.1
97	V	37.2	Very low	34.7	Very low	121 Å²	121	157.7 Å²	157.7	73%	0.733	83%	0.828	S	S	*	*			trans	-59.5	168.7	179.3	-131.5	0	0	0	0	114.6	V99	V97-V99 HydrophobicContact CG1-CG2 4.44Å
98	P	36.6	Very low	34.5	Very low	128 Å²	128	153.1 Å²	153.1	83%	0.831	83%	0.826	S	S	*	*				-130.2	162.5	102.6	38.6	-32.8	0	0	0	114.9
99	V	31.6	Very low	34.1	Very low	129 Å²	129	151.4 Å²	151.4	78%	0.782	81%	0.807	S	S	*	*			trans	-92.7	144.6	-176.6	174.9	0	0	0	0	111.3	V97	V97-V99 HydrophobicContact CG1-CG2 4.44Å
100	S	36.9	Very low	34.3	Very low	106 Å²	106	148.2 Å²	148.2	74%	0.741	81%	0.806	S	S	*	*			trans	-142	139.6	159.2	-170.7	0	0	0	0	111.1
101	R	30.8	Very low	34	Very low	228 Å²	228	145.7 Å²	145.7	86%	0.86	79%	0.789	S	S	*	*			trans	-87.2	134.4	174.2	-62.6	173.4	178.8	160.9	-2.5	109.2
102	R	31.1	Very low	33.7	Very low	232 Å²	232	140.1 Å²	140.1	88%	0.875	77%	0.771	S	S	*	*			trans	-162.5	165.8	155.9	-103.5	144.7	-146.6	-134.1	2.9	110.7
103	H	32.4	Very low	33.2	Very low	180 Å²	180	139.8 Å²	139.8	83%	0.833	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-74.4	158.3	-157.6	-64.2	-101.1	0	0	0	114.2
104	S	28.6	Very low	32.9	Very low	112 Å²	112	144 Å²	144	78%	0.783	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-62.9	125.4	166.7	-58.2	0	0	0	0	109.9
105	P	37.9	Very low	33	Very low	122 Å²	122	144 Å²	144	79%	0.792	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-75.7	138	171	30.9	-32.9	0	0	0	110.2
106	E	28.3	Very low	32.9	Very low	175 Å²	175	139.8 Å²	139.8	82%	0.818	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-64.4	161	167.2	-67	149.8	115	0	0	110.9
107	C	29.5	Very low	33.1	Very low	108 Å²	108	134.7 Å²	134.7	73%	0.73	71%	0.711	S	S	*	*			trans	-138.6	60.1	177.8	-160.2	0	0	0	0	110.8	D109	C107-D109 PolarHBondContact O-N 2.66Å
108	T	28.4	Very low	33.7	Very low	140 Å²	140	130 Å²	130	86%	0.859	68%	0.684	S	S	*	*			trans	-81.4	31.9	173.1	38.7	0	0	0	0	112.6
109	D	30.4	Very low	34.2	Very low	84 Å²	84	125.3 Å²	125.3	45%	0.449	65%	0.652	S	S	.	*			trans	-113.2	109.4	178.6	-176.9	2.8	0	0	0	112.3	C107 S111	C107-D109 PolarHBondContact O-N 2.66Å; D109-S111 VanDerWaalsContact C-N 3.31Å; D109-S111 VanDerWaalsContact CG-OG 3.24Å; D109-S111 PolarHBondContact O-N 3.44Å; D109-S111 WeakPolarHBondContact OD1-CB 3.49Å; D109-S111 PolarHBondContact OD1-N 2.87Å; D109-S111 PolarHBondContact OD1-OG 3.44Å; D109-S111 PolarHBondContact OD2-OG 3.14Å; D109-S111 VanDerWaalsContact OD2-OG 3.05Å
110	I	36	Very low	35	Very low	169 Å²	169	123.5 Å²	123.5	87%	0.867	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-4.8	-177.2	-147.3	164.7	0	0	0	113.5
111	S	33.7	Very low	35.5	Very low	70 Å²	70	120.7 Å²	120.7	49%	0.49	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.5	-22.6	-171.8	76.4	0	0	0	0	115.1	D109 F113	D109-S111 VanDerWaalsContact C-N 3.31Å; D109-S111 VanDerWaalsContact CG-OG 3.24Å; D109-S111 PolarHBondContact O-N 3.44Å; D109-S111 WeakPolarHBondContact OD1-CB 3.49Å; D109-S111 PolarHBondContact OD1-N 2.87Å; D109-S111 PolarHBondContact OD1-OG 3.44Å; D109-S111 PolarHBondContact OD2-OG 3.14Å; D109-S111 VanDerWaalsContact OD2-OG 3.05Å; S111-F113 PolarHBondContact O-N 3.33Å
112	S	30	Very low	36.4	Very low	68 Å²	68	111 Å²	111	48%	0.476	58%	0.58	S	S	.	*			trans	-86.2	-6.1	-157.6	62.6	0	0	0	0	116.8	K114	S112-K114 PolarHBondContact O-N 2.84Å
113	F	28.7	Very low	36.9	Very low	111 Å²	111	102.7 Å²	102.7	49%	0.487	55%	0.553	S	S	.	*			trans	-85.1	112.7	-171.5	-80.7	-93.2	0	0	0	114.4	S111 F115 K309	S111-F113 PolarHBondContact O-N 3.33Å; F113-F115 VanDerWaalsContact C-N 3.27Å; F113-F115 PolarHBondContact O-N 2.94Å; F113-K309 HydrophobicContact CE1-CB 4.2Å; F113-K309 HydrophobicContact CE1-CD 4.48Å; F113-K309 HydrophobicContact CE1-CG 4.07Å; F113-K309 WeakPolarHBondContact CE1-O 3.41Å; F113-K309 HydrophobicContact CZ-CG 4.4Å
114	K	32.8	Very low	37.5	Very low	205 Å²	205	97.2 Å²	97.2	89%	0.891	54%	0.535	S	S	*	.			trans	-80.5	47.7	-176.8	-64.8	-174.2	177.2	179.7	0	114.9	S112	S112-K114 PolarHBondContact O-N 2.84Å
115	F	36.6	Very low	38.4	Very low	75 Å²	75	97 Å²	97	33%	0.329	52%	0.52	S	S	.	.			trans	-108.6	42.7	174.5	-140	-101.3	0	0	0	112.9	F113 W311 G312 E313	F113-F115 VanDerWaalsContact C-N 3.27Å; F113-F115 PolarHBondContact O-N 2.94Å; F115-W311 WeakPolarHBondContact CD1-O 3.49Å; F115-W311 WeakPolarHBondContact CE1-O 3.44Å; F115-G312 VanDerWaalsContact CZ-C 3.47Å; F115-G312 WeakPolarHBondContact CZ-O 3.45Å; F115-E313 HydrophobicContact CD2-CG 4.36Å; F115-E313 HydrophobicContact CE2-CG 3.33Å; F115-E313 HydrophobicContact CZ-CB 4.47Å; F115-E313 HydrophobicContact CZ-CG 3.62Å
116	R	35.2	Very low	38.8	Very low	169 Å²	169	93.3 Å²	93.3	64%	0.638	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	1.7	-150.3	-133.2	173	-176.2	167	-0.1	117.2	M120	R116-M120 HydrophobicContact CB-CB 4.31Å; R116-M120 HydrophobicContact CG-CB 3.82Å; R116-M120 HydrophobicContact CG-CG 3.89Å; R116-M120 HydrophobicContact CG-SD 4.13Å; R116-M120 VanDerWaalsContact O-CB 3.3Å; R116-M120 WeakPolarHBondContact O-CB 3.46Å
117	S	42.7	Very low	39.4	Very low	96 Å²	96	92 Å²	92	67%	0.671	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-26.9	-164.4	56.9	0	0	0	0	118.1	S121	S117-S121 WeakPolarHBondContact O-CB 3.34Å
118	S	49.1	Very low	40.1	Very low	22 Å²	22	90.3 Å²	90.3	15%	0.154	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-78.4	176.6	175.3	0	0	0	0	111.1	M120 S121 E122 F394	S118-M120 VanDerWaalsContact C-N 3.29Å; S118-M120 PolarHBondContact O-N 3.12Å; S118-S121 CarbonylContact O-C 3.59Å; S118-S121 WeakPolarHBondContact O-CA 3.38Å; S118-S121 WeakPolarHBondContact O-CB 3.05Å; S118-S121 PolarHBondContact O-N 3.45Å; S118-E122 PolarHBondContact O-N 3.43Å; S118-F394 WeakPolarHBondContact OG-CD1 3.48Å; S118-F394 VanDerWaalsContact OG-CD2 3.24Å; S118-F394 WeakPolarHBondContact OG-CD2 3.44Å; S118-F394 WeakPolarHBondContact OG-CE2 3.41Å; S118-F394 VanDerWaalsContact OG-CG 3.26Å; S118-F394 WeakPolarHBondContact OG-CG 3.33Å
119	L	47.8	Very low	40.6	Very low	31 Å²	31	91.4 Å²	91.4	16%	0.162	46%	0.463	C	S	.	.	H	α-helix	trans	-55.9	-41.7	178.7	-179.6	62.3	0	0	0	112.5	S121 E122 L123 F359 I384 F401	L119-S121 VanDerWaalsContact C-N 3.32Å; L119-S121 PolarHBondContact O-N 3.22Å; L119-E122 WeakPolarHBondContact O-CB 3.31Å; L119-E122 PolarHBondContact O-N 2.94Å; L119-L123 HydrophobicContact CD1-CD1 4.27Å; L119-L123 HydrophobicContact CD1-CG 4.4Å; L119-L123 HydrophobicContact CG-CD1 3.99Å; L119-L123 WeakPolarHBondContact O-CB 3.41Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 3.1Å; L119-F359 HydrophobicContact CD1-CD2 3.93Å; L119-F359 HydrophobicContact CD1-CE2 3.93Å; L119-I384 HydrophobicContact CD2-CD1 4.49Å; L119-F401 HydrophobicContact CD1-CE1 4.47Å; L119-F401 HydrophobicContact CD1-CZ 4.45Å
120	M	47	Very low	40.9	Very low	91 Å²	91	96.9 Å²	96.9	45%	0.448	48%	0.477	S	S	.	.	H	α-helix	trans	-71.5	-21.3	174.2	-93.9	-86.1	-178.5	0	0	113.9	R116 S118 S124	R116-M120 HydrophobicContact CB-CB 4.31Å; R116-M120 HydrophobicContact CG-CB 3.82Å; R116-M120 HydrophobicContact CG-CG 3.89Å; R116-M120 HydrophobicContact CG-SD 4.13Å; R116-M120 VanDerWaalsContact O-CB 3.3Å; R116-M120 WeakPolarHBondContact O-CB 3.46Å; S118-M120 VanDerWaalsContact C-N 3.29Å; S118-M120 PolarHBondContact O-N 3.12Å; M120-S124 VanDerWaalsContact O-CB 3.24Å; M120-S124 WeakPolarHBondContact O-CB 3.41Å; M120-S124 PolarHBondContact O-N 3.07Å; M120-S124 PolarHBondContact O-OG 2.92Å
121	S	48.1	Very low	41.2	Very low	46 Å²	46	93.2 Å²	93.2	32%	0.322	46%	0.456	S	S	.	.	H	α-helix	trans	-77.9	-41.5	171.1	-177.3	0	0	0	0	111.2	S117 S118 L119 S124 K125	S117-S121 WeakPolarHBondContact O-CB 3.34Å; S118-S121 CarbonylContact O-C 3.59Å; S118-S121 WeakPolarHBondContact O-CA 3.38Å; S118-S121 WeakPolarHBondContact O-CB 3.05Å; S118-S121 PolarHBondContact O-N 3.45Å; L119-S121 VanDerWaalsContact C-N 3.32Å; L119-S121 PolarHBondContact O-N 3.22Å; S121-S124 WeakPolarHBondContact CA-OG 3.43Å; S121-S124 PolarHBondContact O-N 3.47Å; S121-S124 PolarHBondContact O-OG 3.17Å; S121-K125 WeakPolarHBondContact O-CG 3.43Å; S121-K125 PolarHBondContact O-N 3.38Å
122	E	49.5	Very low	41.5	Very low	24 Å²	24	95.3 Å²	95.3	11%	0.112	46%	0.456	C	S	.	.	H	α-helix	trans	-54.5	-52.8	166.4	-81.4	-66.2	118.5	0	0	111	S118 L119 S124 K125 G358 F359	S118-E122 PolarHBondContact O-N 3.43Å; L119-E122 WeakPolarHBondContact O-CB 3.31Å; L119-E122 PolarHBondContact O-N 2.94Å; E122-S124 PolarHBondContact O-N 3.48Å; E122-K125 WeakPolarHBondContact O-CB 3.36Å; E122-K125 PolarHBondContact O-N 3.05Å; E122-K125 VanDerWaalsContact O-N 3.12Å; E122-K125 IonicContact OE1-NZ 2.64Å; E122-K125 PolarHBondContact OE1-NZ 2.98Å; E122-G358 WeakPolarHBondContact OE2-CA 3.47Å; E122-F359 HydrophobicContact CB-CB 4.42Å; E122-F359 PolarHBondContact OE2-N 2.86Å; E122-F359 VanDerWaalsContact OE2-N 3.1Å
123	L	42.4	Very low	42.1	Very low	59 Å²	59	95.2 Å²	95.2	31%	0.309	45%	0.45	S	S	.	.	H	α-helix	trans	-65.8	-21.9	178	-65.8	170.5	0	0	0	113.4	L119 V364	L119-L123 HydrophobicContact CD1-CD1 4.27Å; L119-L123 HydrophobicContact CD1-CG 4.4Å; L119-L123 HydrophobicContact CG-CD1 3.99Å; L119-L123 WeakPolarHBondContact O-CB 3.41Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 3.1Å; L123-V364 HydrophobicContact CD2-CB 4.31Å; L123-V364 HydrophobicContact CD2-CG1 3.87Å; L123-V364 HydrophobicContact CD2-CG2 3.43Å; L123-V364 VanDerWaalsContact CD2-CG2 3.43Å
124	S	44.2	Very low	42.6	Very low	64 Å²	64	94.9 Å²	94.9	45%	0.448	45%	0.453	S	S	.	.	H	α-helix	trans	-86.1	-18.1	173.1	72.6	0	0	0	0	113.9	M120 S121 E122 H126 H127	M120-S124 VanDerWaalsContact O-CB 3.24Å; M120-S124 WeakPolarHBondContact O-CB 3.41Å; M120-S124 PolarHBondContact O-N 3.07Å; M120-S124 PolarHBondContact O-OG 2.92Å; S121-S124 WeakPolarHBondContact CA-OG 3.43Å; S121-S124 PolarHBondContact O-N 3.47Å; S121-S124 PolarHBondContact O-OG 3.17Å; E122-S124 PolarHBondContact O-N 3.48Å; S124-H126 PolarHBondContact O-N 3.46Å; S124-H127 WeakPolarHBondContact O-CB 3.36Å; S124-H127 PolarHBondContact O-N 3.24Å
125	K	47.2	Very low	43	Very low	107 Å²	107	91.1 Å²	91.1	47%	0.465	44%	0.436	S	S	.	.	H	α-helix	trans	-62.8	-27.7	170	-69.1	164.5	-163.9	-179.9	0	111.4	S121 E122 H127 N128	S121-K125 WeakPolarHBondContact O-CG 3.43Å; S121-K125 PolarHBondContact O-N 3.38Å; E122-K125 WeakPolarHBondContact O-CB 3.36Å; E122-K125 PolarHBondContact O-N 3.05Å; E122-K125 VanDerWaalsContact O-N 3.12Å; E122-K125 IonicContact OE1-NZ 2.64Å; E122-K125 PolarHBondContact OE1-NZ 2.98Å; K125-H127 PolarHBondContact O-N 2.98Å; K125-N128 PolarHBondContact O-ND2 3.41Å
126	H	48.2	Very low	43.2	Very low	46 Å²	46	90.4 Å²	90.4	21%	0.213	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-68.1	-7.3	170.5	-79.4	-85.7	0	0	0	114.8	S124 N128 F129 E357 F359	S124-H126 PolarHBondContact O-N 3.46Å; H126-N128 PolarHBondContact O-N 3.34Å; H126-N128 VanDerWaalsContact O-N 3.08Å; H126-F129 PolarHBondContact O-N 2.9Å; H126-E357 WeakPolarHBondContact CE1-CB 3.35Å; H126-E357 IonicContact CE1-OE2 3.03Å; H126-E357 PolarHBondContact CE1-OE2 3.17Å; H126-E357 IonicContact ND1-OE2 2.68Å; H126-E357 PolarHBondContact NE2-O 2.92Å; H126-E357 VanDerWaalsContact NE2-O 3.16Å; H126-F359 PolarHBondContact NE2-N 3.07Å; H126-F359 PolarHBondContact NE2-O 3.04Å
127	H	40.2	Very low	43.4	Very low	148 Å²	148	89 Å²	89	69%	0.685	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-67.1	-9.3	175.8	-145.6	-56.2	0	0	0	113.2	S124 K125 F129 R130	S124-H127 WeakPolarHBondContact O-CB 3.36Å; S124-H127 PolarHBondContact O-N 3.24Å; K125-H127 PolarHBondContact O-N 2.98Å; H127-F129 PolarHBondContact O-N 3.39Å; H127-R130 PolarHBondContact O-N 3.44Å
128	N	44	Very low	43.1	Very low	72 Å²	72	90.1 Å²	90.1	39%	0.385	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-64.2	1.2	171.5	-71.5	-15.7	0	0	0	114.8	K125 H126 R130 E131 K132	K125-N128 PolarHBondContact O-ND2 3.41Å; H126-N128 PolarHBondContact O-N 3.34Å; H126-N128 VanDerWaalsContact O-N 3.08Å; N128-R130 PolarHBondContact O-N 3.43Å; N128-E131 HydrophobicContact CB-CB 4.5Å; N128-E131 PolarHBondContact O-N 3.14Å; N128-K132 WeakPolarHBondContact O-CB 3.39Å; N128-K132 WeakPolarHBondContact O-CG 3.22Å; N128-K132 PolarHBondContact O-N 3.18Å
129	F	38.5	Very low	42.6	Very low	163 Å²	163	94.6 Å²	94.6	72%	0.715	47%	0.47	S	S	*	.	H	α-helix	trans	-52.6	-37.7	167.2	-169	-100.6	0	0	0	112	H126 H127 I133	H126-F129 PolarHBondContact O-N 2.9Å; H127-F129 PolarHBondContact O-N 3.39Å; F129-I133 HydrophobicContact CD1-CD1 4.27Å; F129-I133 HydrophobicContact CE1-CD1 3.99Å; F129-I133 HydrophobicContact CZ-CD1 4.39Å; F129-I133 WeakPolarHBondContact O-CD1 3.35Å; F129-I133 WeakPolarHBondContact O-CG1 3.46Å
130	R	37.5	Very low	41.9	Very low	199 Å²	199	101.6 Å²	101.6	75%	0.751	50%	0.501	S	S	*	.	H	α-helix	trans	-77	-37.1	176.6	-161.9	169.8	-179.1	133.7	-2	113	H127 N128 L134	H127-R130 PolarHBondContact O-N 3.44Å; N128-R130 PolarHBondContact O-N 3.43Å; R130-L134 WeakPolarHBondContact O-CG 3.32Å; R130-L134 PolarHBondContact O-N 2.78Å
131	E	41.3	Very low	41.1	Very low	92 Å²	92	100.8 Å²	100.8	43%	0.43	52%	0.516	S	S	.	.	H	α-helix	trans	-71.5	-36.9	176.1	-83.3	-153.1	167.2	0	0	113.8	N128 I133 L134 K135	N128-E131 HydrophobicContact CB-CB 4.5Å; N128-E131 PolarHBondContact O-N 3.14Å; E131-I133 VanDerWaalsContact C-N 3.33Å; E131-I133 PolarHBondContact O-N 3.49Å; E131-L134 PolarHBondContact O-N 3.42Å; E131-K135 WeakPolarHBondContact O-CB 3.35Å; E131-K135 WeakPolarHBondContact O-CG 3.15Å; E131-K135 PolarHBondContact O-N 2.73Å; E131-K135 IonicContact OE1-NZ 3.81Å; E131-K135 IonicContact OE2-NZ 2.68Å; E131-K135 PolarHBondContact OE2-NZ 3.12Å
132	K	40.6	Very low	40.3	Very low	113 Å²	113	104.4 Å²	104.4	49%	0.491	54%	0.536	S	S	.	.	H	α-helix	trans	-68.5	-33.7	-178.1	-76	-173.8	176.1	-170.2	0	112.1	N128 A136 E357	N128-K132 WeakPolarHBondContact O-CB 3.39Å; N128-K132 WeakPolarHBondContact O-CG 3.22Å; N128-K132 PolarHBondContact O-N 3.18Å; K132-A136 VanDerWaalsContact O-CB 3.25Å; K132-A136 WeakPolarHBondContact O-CB 3.33Å; K132-A136 PolarHBondContact O-N 2.94Å; K132-E357 IonicContact NZ-OE1 2.65Å; K132-E357 PolarHBondContact NZ-OE1 3.48Å
133	I	42.8	Very low	39.7	Very low	66 Å²	66	110.5 Å²	110.5	34%	0.338	56%	0.564	S	S	.	*	H	α-helix	trans	-62.8	-49.2	170.6	-66.6	169.4	0	0	0	109.9	F129 E131 K135 A136 Q137	F129-I133 HydrophobicContact CD1-CD1 4.27Å; F129-I133 HydrophobicContact CE1-CD1 3.99Å; F129-I133 HydrophobicContact CZ-CD1 4.39Å; F129-I133 WeakPolarHBondContact O-CD1 3.35Å; F129-I133 WeakPolarHBondContact O-CG1 3.46Å; E131-I133 VanDerWaalsContact C-N 3.33Å; E131-I133 PolarHBondContact O-N 3.49Å; I133-K135 PolarHBondContact O-N 2.99Å; I133-A136 PolarHBondContact O-N 2.86Å; I133-Q137 WeakPolarHBondContact O-CG 3.44Å; I133-Q137 PolarHBondContact O-N 3.07Å
134	L	38.8	Very low	39.3	Very low	105 Å²	105	115.8 Å²	115.8	55%	0.55	59%	0.587	S	S	.	*	H	α-helix	trans	-64.6	-35.4	178.8	-70.5	166.9	0	0	0	113.5	R130 E131 Q137	R130-L134 WeakPolarHBondContact O-CG 3.32Å; R130-L134 PolarHBondContact O-N 2.78Å; E131-L134 PolarHBondContact O-N 3.42Å; L134-Q137 PolarHBondContact O-N 3.06Å
135	K	42.3	Very low	38.8	Very low	126 Å²	126	116.5 Å²	116.5	55%	0.548	60%	0.597	S	S	.	*	H	α-helix	trans	-78.5	-26	177.7	-74.1	169.5	177.6	168.8	0	112.9	E131 I133 Q137	E131-K135 WeakPolarHBondContact O-CB 3.35Å; E131-K135 WeakPolarHBondContact O-CG 3.15Å; E131-K135 PolarHBondContact O-N 2.73Å; E131-K135 IonicContact OE1-NZ 3.81Å; E131-K135 IonicContact OE2-NZ 2.68Å; E131-K135 PolarHBondContact OE2-NZ 3.12Å; I133-K135 PolarHBondContact O-N 2.99Å; K135-Q137 VanDerWaalsContact C-N 3.27Å; K135-Q137 PolarHBondContact O-N 3.25Å
136	A	40.5	Very low	38.2	Very low	60 Å²	60	120.2 Å²	120.2	50%	0.496	62%	0.616	S	S	.	*	H	α-helix	trans	-72.1	-19.9	171.8	0	0	0	0	0	113.4	K132 I133	K132-A136 VanDerWaalsContact O-CB 3.25Å; K132-A136 WeakPolarHBondContact O-CB 3.33Å; K132-A136 PolarHBondContact O-N 2.94Å; I133-A136 PolarHBondContact O-N 2.86Å
137	Q	37.8	Very low	37.6	Very low	139 Å²	139	124.8 Å²	124.8	65%	0.65	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	2.2	-178.3	-72.3	173.7	-25.7	0	0	114.5	I133 L134 K135	I133-Q137 WeakPolarHBondContact O-CG 3.44Å; I133-Q137 PolarHBondContact O-N 3.07Å; L134-Q137 PolarHBondContact O-N 3.06Å; K135-Q137 VanDerWaalsContact C-N 3.27Å; K135-Q137 PolarHBondContact O-N 3.25Å
138	N	37.9	Very low	37.2	Very low	119 Å²	119	123 Å²	123	64%	0.636	64%	0.642	S	S	*	*	S	Bend	trans	-136.9	25.5	-163.4	-137.8	41.5	0	0	0	113.8
139	V	38.7	Very low	36.6	Very low	117 Å²	117	125.3 Å²	125.3	71%	0.709	66%	0.662	S	S	*	*			trans	-141.8	81.8	-178.9	-170.8	0	0	0	0	111.7
140	H	33.4	Very low	36.7	Very low	178 Å²	178	123 Å²	123	82%	0.824	66%	0.664	S	S	*	*			trans	-155.2	135.1	154.4	-101.6	22.5	0	0	0	108.8
141	G	29.1	Very low	36.4	Very low	73 Å²	73	119.8 Å²	119.8	75%	0.753	67%	0.666	S	S	*	*			trans	114	103.9	177.8	0	0	0	0	0	114.9
142	T	31.7	Very low	36.1	Very low	122 Å²	122	120 Å²	120	75%	0.748	68%	0.677	S	S	*	*				-172.1	151.2	109.5	41.9	0	0	0	0	110.2
143	H	37.2	Very low	35.7	Very low	152 Å²	152	120.3 Å²	120.3	70%	0.704	69%	0.689	S	S	*	*			trans	65.2	143.8	175.8	-48.1	-80.9	0	0	0	115.8
144	E	34.4	Very low	35.4	Very low	170 Å²	170	123.8 Å²	123.8	79%	0.794	70%	0.704	S	S	*	*			cis	-173.1	158.4	-13.4	-111.7	146.1	-161.3	0	0	106.6
145	A	33	Very low	35.1	Very low	80 Å²	80	128.8 Å²	128.8	66%	0.661	72%	0.715	S	S	*	*			cis	-169.5	177.6	-23.4	0	0	0	0	0	109.2
146	E	35	Very low	34.8	Very low	185 Å²	185	129.7 Å²	129.7	86%	0.864	73%	0.726	S	S	*	*			trans	66.9	138.3	167.5	-66.2	-177.5	-172.6	0	0	117.3
147	D	34.1	Very low	34.4	Very low	141 Å²	141	131.1 Å²	131.1	75%	0.754	73%	0.732	S	S	*	*			cis	-157.5	166.6	-3.7	-148.3	-2.1	0	0	0	115.8
148	V	33	Very low	34.3	Very low	111 Å²	111	134.4 Å²	134.4	67%	0.673	74%	0.744	S	S	*	*			trans	51.4	91.1	160.4	-160.1	0	0	0	0	123.5
149	C	31.6	Very low	34	Very low	121 Å²	121	137.9 Å²	137.9	82%	0.818	76%	0.757	S	S	*	*				63	158.6	106.5	-79.9	0	0	0	0	126.2
150	P	39.2	Very low	33.8	Very low	115 Å²	115	138.2 Å²	138.2	75%	0.747	76%	0.764	S	S	*	*			trans	-142.3	-134.3	-131.9	45.6	-23.7	0	0	0	116.8
151	V	32.9	Very low	33.8	Very low	130 Å²	130	137 Å²	137	79%	0.788	76%	0.764	S	S	*	*			trans	96.2	133	169.8	176.9	0	0	0	0	116.5
152	S	34.9	Very low	34	Very low	97 Å²	97	138.8 Å²	138.8	68%	0.678	76%	0.76	S	S	*	*			cis	-164.5	164.6	-15	-98	0	0	0	0	114.9
153	T	32.6	Very low	34	Very low	120 Å²	120	142.5 Å²	142.5	74%	0.736	77%	0.766	S	S	*	*			trans	-12.7	164.4	159.8	59.7	0	0	0	0	122.2
154	E	35.5	Very low	33.5	Very low	138 Å²	138	140.9 Å²	140.9	65%	0.645	77%	0.77	S	S	*	*			cis	-146.8	152.4	34.6	-79.5	-163.5	113.2	0	0	114.2
155	R	32.4	Very low	33.5	Very low	211 Å²	211	143.2 Å²	143.2	80%	0.796	78%	0.778	S	S	*	*				51.7	146.1	101.5	-46.5	-178.5	-179.1	144.6	-7.3	116.5
156	D	35.6	Very low	33.4	Very low	145 Å²	145	148.3 Å²	148.3	78%	0.775	79%	0.788	S	S	*	*			cis	-152.9	-155.3	35.8	-159.1	-12.4	0	0	0	114
157	S	32.6	Very low	33.3	Very low	89 Å²	89	143.8 Å²	143.8	62%	0.622	78%	0.783	S	S	*	*			trans	-149.1	159.6	-150	62.4	0	0	0	0	116.5
158	K	35.3	Very low	33.3	Very low	208 Å²	208	143.3 Å²	143.3	90%	0.904	79%	0.787	S	S	*	*			trans	-176.7	164.2	149.4	-101.3	144.2	-164.4	160.9	0	114.4
159	Q	31.8	Very low	33.1	Very low	193 Å²	193	147.7 Å²	147.7	90%	0.902	80%	0.797	S	S	*	*			trans	-130.1	160.6	-174.1	-60.9	172.4	-33.6	0	0	112.2
160	S	35.4	Very low	33.3	Very low	123 Å²	123	147.7 Å²	147.7	86%	0.86	80%	0.798	S	S	*	*			trans	-160.3	127.5	147.8	41	0	0	0	0	116.9
161	N	32	Very low	32.8	Very low	152 Å²	152	151.6 Å²	151.6	81%	0.813	81%	0.807	S	S	*	*			trans	-36.3	169.2	152.8	-93.1	-3.5	0	0	0	117.9
162	V	33.6	Very low	32.9	Very low	111 Å²	111	151.3 Å²	151.3	67%	0.673	81%	0.81	S	S	*	*			cis	-178.1	153.7	-19.2	105.3	0	0	0	0	109.4
163	K	31.5	Very low	32.9	Very low	201 Å²	201	152 Å²	152	87%	0.874	82%	0.815	S	S	*	*			trans	178.3	156.8	136.2	-106.2	165.4	179.8	173.6	0	115.6
164	C	27.8	Very low	32.9	Very low	118 Å²	118	154.5 Å²	154.5	80%	0.797	82%	0.823	S	S	*	*			trans	-128.1	172.2	178.9	-58.1	0	0	0	0	111.3
165	F	34.8	Very low	33	Very low	219 Å²	219	153.9 Å²	153.9	96%	0.961	82%	0.823	S	S	*	*			trans	-133.7	153.9	163	-94.7	-88.6	0	0	0	109.9
166	E	30	Very low	33	Very low	187 Å²	187	148.6 Å²	148.6	87%	0.874	82%	0.816	S	S	*	*			trans	-153	141	-169.9	178.7	-173.8	-144.4	0	0	111.1
167	A	32.1	Very low	33.1	Very low	90 Å²	90	149.2 Å²	149.2	74%	0.744	82%	0.818	S	S	*	*			trans	174.6	162.3	157.7	0	0	0	0	0	111
168	P	34.4	Very low	33.3	Very low	130 Å²	130	152.5 Å²	152.5	84%	0.844	83%	0.829	S	S	*	*			cis	-126.3	-168	-38.2	37.5	-21	0	0	0	111.7
169	K	28.7	Very low	33.5	Very low	204 Å²	204	150.5 Å²	150.5	89%	0.887	82%	0.823	S	S	*	*			trans	-108.4	160.1	-173.5	-59.6	174.3	-177	173.2	0	113.5
170	S	35.9	Very low	33.7	Very low	121 Å²	121	148.3 Å²	148.3	85%	0.846	82%	0.816	S	S	*	*			trans	-131.7	146.2	162.9	57.7	0	0	0	0	110.9
171	E	28.9	Very low	33.7	Very low	197 Å²	197	146.8 Å²	146.8	92%	0.921	81%	0.811	S	S	*	*			trans	-96.8	145.6	-171.7	-60.2	177.2	123.7	0	0	112.8
172	S	36	Very low	34	Very low	124 Å²	124	147 Å²	147	87%	0.867	81%	0.811	S	S	*	*			trans	-156.4	155.7	150.9	53.6	0	0	0	0	110.6
173	S	34.6	Very low	34.2	Very low	110 Å²	110	147 Å²	147	77%	0.769	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-77.2	131	-160.5	52.4	0	0	0	0	115.3
174	L	31.8	Very low	34.6	Very low	173 Å²	173	143.5 Å²	143.5	91%	0.906	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-75.4	128.4	160.5	-76.1	165.8	0	0	0	110.4
175	I	37	Very low	35.1	Very low	125 Å²	125	145.2 Å²	145.2	64%	0.641	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-93.8	131.6	167.3	-59.9	174.8	0	0	0	107.9
176	P	34.1	Very low	35.1	Very low	101 Å²	101	140.5 Å²	140.5	66%	0.656	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-58.3	148.7	175.1	-25.4	35.7	0	0	0	113.1	D178	P176-D178 PolarHBondContact O-N 3.33Å
177	L	37	Very low	35.5	Very low	158 Å²	158	136.6 Å²	136.6	83%	0.827	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	10.3	-164	-141.5	78.9	0	0	0	115.5
178	D	37	Very low	35.7	Very low	158 Å²	158	144.1 Å²	144.1	85%	0.845	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-3.1	-166.3	-63.8	-53.9	0	0	0	114.7	P176	P176-D178 PolarHBondContact O-N 3.33Å
179	E	38.2	Very low	35.7	Very low	165 Å²	165	147 Å²	147	77%	0.771	80%	0.801	S	S	*	*			trans	-110.1	13.6	-167.2	-149.9	171.4	-159.6	0	0	115.5	A181	E179-A181 PolarHBondContact O-N 3.08Å
180	I	37.3	Very low	35.9	Very low	147 Å²	147	145.7 Å²	145.7	75%	0.754	80%	0.802	S	S	*	*			trans	-79.5	83.9	-178.7	-52.9	-179.4	0	0	0	111.4
181	A	35.6	Very low	35.8	Very low	92 Å²	92	145.6 Å²	145.6	76%	0.76	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-65.2	132	174.1	0	0	0	0	0	112.6	E179	E179-A181 PolarHBondContact O-N 3.08Å
182	L	37.7	Very low	36.2	Very low	156 Å²	156	141.6 Å²	141.6	82%	0.817	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.9	142.6	174.7	-72.9	169.8	0	0	0	111.6
183	P	37.6	Very low	36.1	Very low	111 Å²	111	143.4 Å²	143.4	72%	0.721	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-66.4	146.6	174.9	28.3	-34.8	0	0	0	111.7
184	P	40.6	Very low	36.1	Very low	127 Å²	127	143.9 Å²	143.9	83%	0.825	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-70.3	145.3	-177.5	28.9	-35.3	0	0	0	112.7
185	E	38.3	Very low	36.3	Very low	155 Å²	155	141.8 Å²	141.8	72%	0.724	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66.8	143.9	179	-74.6	-164.6	175.1	0	0	112.9	S187 R374	E185-S187 PolarHBondContact O-N 3.29Å; E185-R374 IonicContact OE1-NH1 2.65Å
186	P	34.8	Very low	36.2	Very low	120 Å²	120	140.7 Å²	140.7	78%	0.779	79%	0.79	S	S	*	*			trans	-71.2	99.5	-178.1	28.6	-35.2	0	0	0	111.9	R188	P186-R188 PolarHBondContact O-N 2.91Å
187	S	36.8	Very low	36.4	Very low	105 Å²	105	140.7 Å²	140.7	73%	0.734	79%	0.793	S	S	*	*			trans	-73.7	95.4	-179.1	46.8	0	0	0	0	112.8	E185 K189	E185-S187 PolarHBondContact O-N 3.29Å; S187-K189 PolarHBondContact O-N 3.33Å
188	R	37.7	Very low	36.4	Very low	247 Å²	247	139.8 Å²	139.8	93%	0.932	79%	0.794	S	S	*	*			trans	-62.5	99	170.5	-71	-175.7	175.1	-174.3	-2.3	110.9	P186	P186-R188 PolarHBondContact O-N 2.91Å
189	K	33.9	Very low	36.5	Very low	191 Å²	191	137.4 Å²	137.4	83%	0.83	79%	0.79	S	S	*	*			trans	-72.4	123.5	169.5	-70.1	-179.5	178.8	176.1	0	109.9	S187	S187-K189 PolarHBondContact O-N 3.33Å
190	L	33.6	Very low	36.5	Very low	177 Å²	177	136.1 Å²	136.1	93%	0.927	79%	0.793	S	S	*	*			trans	-77.1	132.7	161.9	-129.3	73.4	0	0	0	108.4
191	S	33.5	Very low	36.7	Very low	118 Å²	118	134.6 Å²	134.6	83%	0.825	79%	0.792	S	S	*	*			trans	-107.4	132.5	176.2	45.9	0	0	0	0	111.1
192	S	36.1	Very low	36.7	Very low	114 Å²	114	137.9 Å²	137.9	80%	0.797	80%	0.796	S	S	*	*			trans	-128	134.2	167.5	57.6	0	0	0	0	108.2
193	L	33.9	Very low	36.9	Very low	162 Å²	162	134.6 Å²	134.6	85%	0.848	79%	0.786	S	S	*	*			trans	-70.8	160.8	-172.6	-61.4	78.3	0	0	0	112.4
194	V	36.2	Very low	36.8	Very low	120 Å²	120	138.6 Å²	138.6	73%	0.727	79%	0.793	S	S	*	*				164.6	117.7	119.5	154.9	0	0	0	0	111.2
195	T	35.5	Very low	36.7	Very low	129 Å²	129	135.7 Å²	135.7	79%	0.791	79%	0.786	S	S	*	*			trans	53.9	148.9	160	54.9	0	0	0	0	121
196	S	35.4	Very low	36.7	Very low	101 Å²	101	135 Å²	135	71%	0.706	79%	0.793	S	S	*	*			cis	-170.8	176.1	-17.4	50.8	0	0	0	0	110.9
197	S	36.7	Very low	36.7	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	78%	0.783	S	S	*	*			trans	72.1	116.3	160.5	62.3	0	0	0	0	122
198	V	37.8	Very low	36.8	Very low	140 Å²	140	135.6 Å²	135.6	85%	0.848	79%	0.787	S	S	*	*				61.6	133.3	126.3	-175.3	0	0	0	0	118.2
199	S	39	Very low	36.9	Very low	108 Å²	108	133.3 Å²	133.3	76%	0.755	78%	0.778	S	S	*	*			cis	-145.7	163.8	17	28.8	0	0	0	0	115.7
200	T	39.2	Very low	37	Very low	138 Å²	138	130 Å²	130	85%	0.847	77%	0.77	S	S	*	*			trans	-42.2	167.9	-179.4	38.5	0	0	0	0	123.2
201	P	40.8	Very low	37.4	Very low	114 Å²	114	127.5 Å²	127.5	74%	0.74	77%	0.767	S	S	*	*			trans	-119.1	-172.8	-172.4	45.4	-33.5	0	0	0	115.2
202	L	36.3	Very low	37.6	Very low	161 Å²	161	129.6 Å²	129.6	84%	0.843	77%	0.769	S	S	*	*			trans	-161.5	137.8	158.1	-140.1	73.4	0	0	0	116.5
203	S	40.3	Very low	38.1	Very low	87 Å²	87	129.4 Å²	129.4	61%	0.608	77%	0.765	S	S	*	*			trans	45.4	160.2	140.2	-73.3	0	0	0	0	124.4
204	K	36.7	Very low	38.3	Very low	195 Å²	195	129 Å²	129	85%	0.848	76%	0.764	S	S	*	*			cis	-171.6	163.9	-22.4	-107.5	175.5	-173.8	179.7	0	109
205	G	37.6	Very low	38.3	Very low	66 Å²	66	127.6 Å²	127.6	68%	0.68	76%	0.759	S	S	*	*			trans	135	113.3	169.9	0	0	0	0	0	112.1
206	T	38.9	Very low	38.3	Very low	142 Å²	142	127.4 Å²	127.4	87%	0.871	76%	0.758	S	S	*	*			cis	82.2	129.3	25.6	-46	0	0	0	0	113.5
207	A	34.7	Very low	38.5	Very low	69 Å²	69	128.7 Å²	128.7	57%	0.57	76%	0.761	S	S	*	*			cis	-173.1	-178.2	-22.9	0	0	0	0	0	108.6
208	M	39.4	Very low	38.6	Very low	167 Å²	167	131.7 Å²	131.7	82%	0.823	76%	0.762	S	S	*	*			trans	73.8	151.3	164.6	-52.6	-52.7	173.9	0	0	116
209	R	38.9	Very low	38.6	Very low	200 Å²	200	131.5 Å²	131.5	76%	0.755	76%	0.756	S	S	*	*			cis	-160.6	162.6	-5.7	-121.4	-176.8	166.3	161.5	0.8	111.7
210	D	37.2	Very low	38.6	Very low	122 Å²	122	131 Å²	131	65%	0.652	75%	0.752	S	S	*	*			trans	23.4	145.2	144.4	-39.1	-25.5	0	0	0	120.2
211	S	40.2	Very low	38.5	Very low	123 Å²	123	133.2 Å²	133.2	86%	0.86	75%	0.752	S	S	*	*			cis	-161.9	178.7	44.9	-54.4	0	0	0	0	114
212	N	37.8	Very low	38.3	Very low	163 Å²	163	138.5 Å²	138.5	87%	0.872	76%	0.758	S	S	*	*			trans	-94.9	168.5	-172.5	-123.9	14.3	0	0	0	115.3
213	P	47.7	Very low	38.2	Very low	110 Å²	110	136.1 Å²	136.1	71%	0.714	75%	0.75	S	S	*	*			trans	-107.4	171.4	177.1	41.3	-34	0	0	0	114.5
214	D	37.1	Very low	38	Very low	154 Å²	154	139.1 Å²	139.1	82%	0.824	76%	0.759	S	S	*	*			trans	-167.1	169	147.6	-150.6	-1.7	0	0	0	115.5
215	S	37.3	Very low	37.8	Very low	89 Å²	89	137.1 Å²	137.1	62%	0.622	76%	0.757	S	S	*	*			trans	95.1	84.5	143.3	71.4	0	0	0	0	123.2
216	T	35.2	Very low	37.8	Very low	126 Å²	126	139.7 Å²	139.7	77%	0.773	76%	0.761	S	S	*	*				52.7	166	118.5	59.7	0	0	0	0	125
217	V	39.3	Very low	37.5	Very low	127 Å²	127	141 Å²	141	77%	0.77	76%	0.758	S	S	*	*			trans	102	134.6	161.3	178.4	0	0	0	0	115.9
218	K	38.2	Very low	37.6	Very low	165 Å²	165	143.5 Å²	143.5	72%	0.717	77%	0.766	S	S	*	*			cis	-170.2	157.1	-21.7	-108.2	-178.9	171	-163.5	0	109.7
219	D	38.8	Very low	37.3	Very low	135 Å²	135	141.8 Å²	141.8	72%	0.722	76%	0.76	S	S	*	*			trans	57.3	159.1	144.1	-58.2	-18.6	0	0	0	120.2
220	S	38.6	Very low	37.3	Very low	97 Å²	97	140.5 Å²	140.5	68%	0.678	76%	0.76	S	S	*	*			cis	-167.9	144.3	-3.8	38.1	0	0	0	0	115.3
221	H	37.9	Very low	37	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.856	77%	0.765	S	S	*	*			trans	62.1	156.4	139	-72.2	-67	0	0	0	127.2
222	R	35.8	Very low	36.6	Very low	226 Å²	226	142.4 Å²	142.4	85%	0.853	76%	0.759	S	S	*	*			trans	78.4	126.4	172.7	-65.6	-176	168.9	169.2	-3.5	116.9
223	T	33.8	Very low	36.4	Very low	111 Å²	111	144.7 Å²	144.7	68%	0.681	76%	0.761	S	S	*	*			cis	75.1	123	35.3	82.2	0	0	0	0	113.3
224	D	37	Very low	35.4	Very low	149 Å²	149	144.9 Å²	144.9	80%	0.797	76%	0.761	S	S	*	*				-162.6	-175.6	56.7	-87.7	-66.9	0	0	0	115.3
225	L	32.4	Very low	35.3	Very low	153 Å²	153	145.9 Å²	145.9	80%	0.801	76%	0.76	S	S	*	*			trans	-97.7	-172.1	178.8	-119.3	78.9	0	0	0	112
226	P	37.2	Very low	35.1	Very low	120 Å²	120	150.2 Å²	150.2	78%	0.779	77%	0.771	S	S	*	*			cis	-143.1	-166.6	24.6	43.7	-21.4	0	0	0	117.9
227	Q	32.7	Very low	35	Very low	170 Å²	170	151.6 Å²	151.6	79%	0.794	77%	0.772	S	S	*	*			trans	-91.2	165.8	179.2	-51	163.5	-33	0	0	113.5
228	T	36.2	Very low	34.6	Very low	121 Å²	121	151.5 Å²	151.5	74%	0.742	77%	0.774	S	S	*	*			trans	-172.1	136	136.1	34.2	0	0	0	0	114.1
229	N	35.1	Very low	34.4	Very low	131 Å²	131	150.1 Å²	150.1	70%	0.701	77%	0.774	S	S	*	*			trans	60.6	161.1	140.5	-65.2	-38.8	0	0	0	119.4
230	K	37.4	Very low	34.1	Very low	173 Å²	173	149.4 Å²	149.4	75%	0.752	78%	0.777	S	S	*	*			cis	-168.3	163.5	-4.5	-111.3	168.7	-172.8	176.1	0	106.2
231	L	31.4	Very low	33.6	Very low	146 Å²	146	150.1 Å²	150.1	76%	0.764	78%	0.777	S	S	*	*			cis	-159.7	-177.6	-7.3	-167.7	52.6	0	0	0	108.8
232	L	31.7	Very low	33.5	Very low	139 Å²	139	149.6 Å²	149.6	73%	0.728	78%	0.775	S	S	*	*			trans	-67.3	156.8	-179.6	-70.5	66.1	0	0	0	115.8
233	K	33	Very low	33.2	Very low	211 Å²	211	145.6 Å²	145.6	92%	0.917	78%	0.776	S	S	*	*				-162.3	155.6	116	-109.2	173.5	-176.5	-176.9	0	113.8
234	T	27.6	Very low	33.1	Very low	114 Å²	114	146.2 Å²	146.2	70%	0.699	78%	0.782	S	S	*	*			trans	-140.6	135.2	-167.9	49.7	0	0	0	0	112.7
235	H	35.9	Very low	32.7	Very low	175 Å²	175	145.2 Å²	145.2	81%	0.81	79%	0.785	S	S	*	*			trans	-156.7	117	153.5	-79.1	-72.9	0	0	0	106
236	Q	32.3	Very low	32.5	Very low	181 Å²	181	146.9 Å²	146.9	85%	0.846	79%	0.789	S	S	*	*				95.7	137.2	67.2	-88.7	-176.9	-24.1	0	0	113.8
237	L	32.3	Very low	32.5	Very low	154 Å²	154	148.6 Å²	148.6	81%	0.806	79%	0.792	S	S	*	*			trans	-69.8	160.5	-170.5	-94.6	130.2	0	0	0	113.8
238	P	31.4	Very low	32.4	Very low	126 Å²	126	149.8 Å²	149.8	82%	0.818	79%	0.794	S	S	*	*				-145.6	171.3	69.1	38.6	-18.5	0	0	0	119.1
239	L	34.2	Very low	32.4	Very low	135 Å²	135	152.6 Å²	152.6	71%	0.707	80%	0.796	S	S	*	*			trans	-78	165.6	166.1	-122.8	74.9	0	0	0	110.7
240	P	32.3	Very low	32.2	Very low	120 Å²	120	152.1 Å²	152.1	78%	0.779	80%	0.8	S	S	*	*				-155.6	164.4	68.3	40.9	-19.3	0	0	0	120.6
241	T	27.9	Very low	31.7	Very low	113 Å²	113	149.2 Å²	149.2	69%	0.693	80%	0.802	S	S	*	*			trans	16.7	116.2	145.6	-39.3	0	0	0	0	124.5
242	E	36	Very low	32.2	Very low	173 Å²	173	147.8 Å²	147.8	81%	0.808	79%	0.794	S	S	*	*			trans	28.9	142.7	133.9	-49.6	-173.7	171.6	0	0	125.4
243	T	29.6	Very low	32.5	Very low	143 Å²	143	147.8 Å²	147.8	88%	0.877	80%	0.799	S	S	*	*				-163.6	154	120	11.2	0	0	0	0	112.1
244	P	30.9	Very low	32.7	Very low	124 Å²	124	145.4 Å²	145.4	81%	0.805	79%	0.792	S	S	*	*			trans	-106.5	171.9	-174.4	40.2	-34.2	0	0	0	114.9
245	C	28.8	Very low	33.1	Very low	128 Å²	128	146.5 Å²	146.5	87%	0.865	79%	0.793	S	S	*	*			trans	-135.1	143.3	172	-165.6	0	0	0	0	110.9
246	E	29.1	Very low	32.9	Very low	187 Å²	187	143.8 Å²	143.8	87%	0.874	79%	0.79	S	S	*	*			trans	-106.3	152.1	173.4	-78.4	-151.9	142.4	0	0	111.8
247	D	36.6	Very low	33.3	Very low	156 Å²	156	142.4 Å²	142.4	83%	0.834	79%	0.788	S	S	*	*			trans	-141.8	161.7	167.2	-132.4	-34.6	0	0	0	113
248	K	31	Very low	33.5	Very low	195 Å²	195	140 Å²	140	85%	0.848	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-95	153.5	-146.6	-67.8	163.7	-175.8	164	0	116.9
249	K	35.9	Very low	33.6	Very low	180 Å²	180	140.8 Å²	140.8	78%	0.783	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.4	149.7	174.6	-72.4	174.8	177.8	166.1	0	113.8
250	P	30.6	Very low	33.8	Very low	122 Å²	122	138 Å²	138	79%	0.792	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-90.5	153.7	137.3	34.3	-29.6	0	0	0	111.6
251	S	28.4	Very low	33.9	Very low	112 Å²	112	141.8 Å²	141.8	78%	0.783	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-92.2	147	173.8	-173.2	0	0	0	0	110.6
252	I	40.6	Very low	34.3	Very low	115 Å²	115	143.8 Å²	143.8	59%	0.59	80%	0.802	S	S	*	*			trans	-127.5	80.8	-173.2	-153.8	153.9	0	0	0	113.5	E254 L255	I252-E254 HydrophobicContact CG1-CB 4.25Å; I252-E254 PolarHBondContact O-N 2.83Å; I252-L255 HydrophobicContact CD1-CD1 3.7Å; I252-L255 HydrophobicContact CD1-CD2 4.28Å; I252-L255 HydrophobicContact CD1-CG 3.59Å; I252-L255 HydrophobicContact CG1-CD1 4.27Å; I252-L255 HydrophobicContact CG1-CG 3.93Å
253	T	38.9	Very low	34.1	Very low	139 Å²	139	141.1 Å²	141.1	85%	0.853	80%	0.802	S	S	*	*	S	Bend	trans	-76.7	16.8	157.8	32.3	0	0	0	0	112.4
254	E	37.4	Very low	34.4	Very low	162 Å²	162	138.6 Å²	138.6	76%	0.757	79%	0.791	S	S	*	*			trans	-137.7	57.4	-163.4	-58.4	-172.8	147.3	0	0	113.1	I252	I252-E254 HydrophobicContact CG1-CB 4.25Å; I252-E254 PolarHBondContact O-N 2.83Å
255	L	34.6	Very low	34.6	Very low	137 Å²	137	140.2 Å²	140.2	72%	0.717	79%	0.792	S	S	*	*			trans	-135.8	146.3	166.5	-81.7	178.5	0	0	0	112.8	I252	I252-L255 HydrophobicContact CD1-CD1 3.7Å; I252-L255 HydrophobicContact CD1-CD2 4.28Å; I252-L255 HydrophobicContact CD1-CG 3.59Å; I252-L255 HydrophobicContact CG1-CD1 4.27Å; I252-L255 HydrophobicContact CG1-CG 3.93Å
256	P	33.1	Very low	34.8	Very low	117 Å²	117	142 Å²	142	76%	0.76	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-82	151	-164.1	32.8	-36.7	0	0	0	114.3
257	L	39.4	Very low	34.9	Very low	153 Å²	153	140.9 Å²	140.9	80%	0.801	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-80.7	152	172.8	-74.9	164.6	0	0	0	112
258	P	37.4	Very low	34.8	Very low	103 Å²	103	139.4 Å²	139.4	67%	0.669	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-70.7	159.1	174.5	31.2	-35.8	0	0	0	112
259	P	33.2	Very low	35	Very low	142 Å²	142	137 Å²	137	92%	0.922	78%	0.784	S	S	*	*	S	Bend	trans	-65.3	137.2	-175.8	-19.9	32.6	0	0	0	113.3
260	G	37.4	Very low	34.8	Very low	77 Å²	77	138.7 Å²	138.7	79%	0.794	79%	0.792	S	S	*	*			trans	111.1	29.2	164.4	0	0	0	0	0	117.7
261	F	34.9	Very low	35	Very low	199 Å²	199	138.8 Å²	138.8	87%	0.873	79%	0.793	S	S	*	*			trans	-127.5	124	169.4	-111.1	-97.4	0	0	0	111.5
262	D	36.3	Very low	35.4	Very low	156 Å²	156	141 Å²	141	83%	0.834	80%	0.796	S	S	*	*			trans	-89.6	129.6	176.1	-108.6	-41.9	0	0	0	111.1	S264	D262-S264 PolarHBondContact O-N 3.01Å
263	S	32.3	Very low	35.2	Very low	117 Å²	117	144.6 Å²	144.6	82%	0.818	81%	0.807	S	S	*	*			trans	-98.6	73.9	-176	-68.2	0	0	0	0	112
264	S	35.7	Very low	35.2	Very low	90 Å²	90	143.3 Å²	143.3	63%	0.629	80%	0.803	S	S	*	*			trans	-145.4	142	166.7	63.2	0	0	0	0	112.4	D262	D262-S264 PolarHBondContact O-N 3.01Å
265	N	35.2	Very low	35.2	Very low	157 Å²	157	140.5 Å²	140.5	84%	0.84	80%	0.799	S	S	*	*			trans	78.9	60.4	-176.9	-49	-83.4	0	0	0	117
266	L	33.7	Very low	35.3	Very low	167 Å²	167	142.4 Å²	142.4	87%	0.874	80%	0.802	S	S	*	*			trans	-126.5	11	161.3	-145	82	0	0	0	115	T268	L266-T268 PolarHBondContact O-N 3.46Å
267	D	31.1	Very low	35.6	Very low	162 Å²	162	144.9 Å²	144.9	87%	0.866	80%	0.803	S	S	*	*			trans	-93.4	62.6	-179.2	-70.1	-60.5	0	0	0	113.2
268	T	34.7	Very low	35.6	Very low	126 Å²	126	142.1 Å²	142.1	77%	0.773	80%	0.796	S	S	*	*			trans	-157.1	149.1	163.4	-26	0	0	0	0	113.1	L266	L266-T268 PolarHBondContact O-N 3.46Å
269	I	33.8	Very low	36	Very low	145 Å²	145	143.8 Å²	143.8	74%	0.744	80%	0.804	S	S	*	*			trans	78.1	57.4	166.7	-38.1	163.8	0	0	0	115.9
270	F	31.2	Very low	36.3	Very low	215 Å²	215	143.1 Å²	143.1	94%	0.943	80%	0.8	S	S	*	*			trans	-135	115.9	139.4	-80.7	-71.1	0	0	0	110.1
271	P	36.7	Very low	36.3	Very low	124 Å²	124	143 Å²	143	81%	0.805	80%	0.799	S	S	*	*			trans	-133.1	166.5	145.5	31.7	-16.2	0	0	0	112.8
272	N	36.8	Very low	36.6	Very low	158 Å²	158	138.4 Å²	138.4	85%	0.845	79%	0.792	S	S	*	*			trans	-96.6	170.6	-162.5	-111.8	-42.2	0	0	0	115.9
273	K	36	Very low	36.7	Very low	191 Å²	191	137.3 Å²	137.3	83%	0.83	79%	0.791	S	S	*	*			trans	-52.6	158.8	163.6	-62.4	171.7	-175.9	172.6	0	111.7
274	S	37.6	Very low	37.3	Very low	111 Å²	111	138.2 Å²	138.2	78%	0.776	79%	0.791	S	S	*	*			cis	-163.1	-133.5	-5.9	42.2	0	0	0	0	112.5
275	P	39	Very low	37.4	Very low	104 Å²	104	143.3 Å²	143.3	68%	0.675	80%	0.802	S	S	*	*				-129.6	171.8	-106.8	38.3	-19.6	0	0	0	117.8
276	K	36.5	Very low	37.6	Very low	176 Å²	176	141.6 Å²	141.6	77%	0.765	80%	0.8	S	S	*	*			trans	131.7	136.6	140.8	-76.9	174.1	178.2	-178.6	0	117.4
277	H	39.3	Very low	37.9	Very low	169 Å²	169	138.3 Å²	138.3	78%	0.782	80%	0.797	S	S	*	*			trans	57.3	149.8	147.5	-64.7	-53.2	0	0	0	120.9
278	S	38	Very low	38	Very low	95 Å²	95	136.5 Å²	136.5	66%	0.664	80%	0.796	S	S	*	*			cis	-173	165.3	-12.6	49.1	0	0	0	0	113.9
279	V	47.5	Very low	38.2	Very low	138 Å²	138	141.6 Å²	141.6	84%	0.836	80%	0.802	S	S	*	*			trans	80.7	142.4	162.7	-167.3	0	0	0	0	117.7
280	P	38.4	Very low	38.5	Very low	128 Å²	128	143.3 Å²	143.3	83%	0.831	81%	0.806	S	S	*	*			trans	-129.3	171.1	-168.3	44.1	-29	0	0	0	117.8
281	G	38.2	Very low	38.8	Very low	76 Å²	76	143.9 Å²	143.9	78%	0.784	80%	0.802	S	S	*	*			trans	151.7	155	165.5	0	0	0	0	0	111.8
282	S	41.5	Very low	38.7	Very low	101 Å²	101	144.4 Å²	144.4	71%	0.706	80%	0.797	S	S	*	*			cis	-162.1	140.3	-13.5	179.3	0	0	0	0	109.5
283	T	37.1	Very low	38.9	Very low	134 Å²	134	143 Å²	143	82%	0.822	79%	0.794	S	S	*	*			trans	58.5	145.7	171.7	52.7	0	0	0	0	116.5
284	V	45.5	Very low	39	Very low	136 Å²	136	143 Å²	143	82%	0.824	79%	0.794	S	S	*	*			cis	-146.8	159.3	40.8	164.5	0	0	0	0	110.6
285	K	38.5	Very low	39	Very low	196 Å²	196	149 Å²	149	85%	0.852	80%	0.8	S	S	*	*			trans	-90.1	150.5	173.6	-62.9	176	178.1	171.8	0	111.2
286	P	37.9	Very low	38.9	Very low	122 Å²	122	148.8 Å²	148.8	79%	0.792	80%	0.799	S	S	*	*				-150.2	177.6	96.3	39.3	-22.6	0	0	0	116.4
287	A	41.4	Very low	39.1	Very low	98 Å²	98	150.5 Å²	150.5	81%	0.81	81%	0.806	S	S	*	*			trans	62.4	108.4	158	0	0	0	0	0	119.8
288	S	33	Very low	39	Very low	123 Å²	123	149.2 Å²	149.2	86%	0.86	80%	0.803	S	S	*	*			trans	-68.7	130.1	169.9	53.7	0	0	0	0	113.3
289	R	38.9	Very low	38.7	Very low	234 Å²	234	151.2 Å²	151.2	88%	0.883	82%	0.816	S	S	*	*			trans	-129.8	84.8	168.6	-159.4	173.4	-167.9	177.3	5	111.6	R291	R289-R291 PolarHBondContact O-N 2.98Å
290	Q	38.5	Very low	38.3	Very low	181 Å²	181	148.3 Å²	148.3	85%	0.846	81%	0.806	S	S	*	*			trans	-62.1	105.1	175	-69.7	-177.3	-7.5	0	0	110.5	I292	Q290-I292 PolarHBondContact O-N 2.96Å; Q290-I292 VanDerWaalsContact O-N 3.11Å
291	R	38.5	Very low	38.2	Very low	227 Å²	227	150.7 Å²	150.7	86%	0.857	81%	0.811	S	S	*	*			trans	-75.8	98.1	172.9	-99.8	-175.1	166.5	174.4	-3.1	110.1	R289 T293	R289-R291 PolarHBondContact O-N 2.98Å; R291-T293 PolarHBondContact O-N 3.22Å
292	I	35	Very low	37.8	Very low	135 Å²	135	159 Å²	159	69%	0.692	82%	0.819	S	S	*	*			trans	-66.9	108.2	174.2	-60.9	169.4	0	0	0	109.4	Q290 K294	Q290-I292 PolarHBondContact O-N 2.96Å; Q290-I292 VanDerWaalsContact O-N 3.11Å; I292-K294 HydrophobicContact CG2-CB 4.19Å; I292-K294 HydrophobicContact CG2-CD 4.15Å; I292-K294 HydrophobicContact CG2-CG 3.95Å
293	T	41	Very low	37.5	Very low	129 Å²	129	159.3 Å²	159.3	79%	0.791	82%	0.821	S	S	*	*			trans	-115.8	49.1	169.6	49.7	0	0	0	0	111.2	R291 R295	R291-T293 PolarHBondContact O-N 3.22Å; T293-R295 VanDerWaalsContact C-N 3.33Å; T293-R295 PolarHBondContact O-N 2.92Å
294	K	38	Very low	37.5	Very low	190 Å²	190	163.5 Å²	163.5	83%	0.826	83%	0.828	S	S	*	*			trans	-62.7	90	169.6	-75.8	178.8	178	177.3	0	109.9	I292	I292-K294 HydrophobicContact CG2-CB 4.19Å; I292-K294 HydrophobicContact CG2-CD 4.15Å; I292-K294 HydrophobicContact CG2-CG 3.95Å
295	R	37.6	Very low	37.1	Very low	237 Å²	237	160.8 Å²	160.8	89%	0.894	82%	0.815	S	S	*	*			trans	-55.5	133.7	166.6	-97.8	-173.5	171.4	-173.8	-1.7	108.8	T293	T293-R295 VanDerWaalsContact C-N 3.33Å; T293-R295 PolarHBondContact O-N 2.92Å
296	P	36.8	Very low	37	Very low	100 Å²	100	161.6 Å²	161.6	65%	0.649	81%	0.812	S	S	*	*			trans	-74.8	133.3	-169.7	31.3	-36.8	0	0	0	111.3	I298	P296-I298 VanDerWaalsContact C-N 3.27Å; P296-I298 HydrophobicContact CB-CD1 3.99Å; P296-I298 HydrophobicContact CB-CG1 4.02Å; P296-I298 HydrophobicContact CG-CD1 4.21Å; P296-I298 PolarHBondContact O-N 2.66Å
297	K	39.6	Very low	37.1	Very low	212 Å²	212	161.2 Å²	161.2	92%	0.922	80%	0.803	S	S	*	*			trans	-76.5	72.1	176.8	-70.9	-171.8	174	-172.3	0	111.3
298	I	37.2	Very low	37.2	Very low	142 Å²	142	161.8 Å²	161.8	73%	0.728	79%	0.793	S	S	*	*			trans	-109.8	52.2	177.9	-47	173.6	0	0	0	110	P296	P296-I298 VanDerWaalsContact C-N 3.27Å; P296-I298 HydrophobicContact CB-CD1 3.99Å; P296-I298 HydrophobicContact CB-CG1 4.02Å; P296-I298 HydrophobicContact CG-CD1 4.21Å; P296-I298 PolarHBondContact O-N 2.66Å
299	C	33.6	Very low	38	Very low	137 Å²	137	163.1 Å²	163.1	93%	0.926	78%	0.783	S	S	*	*			trans	-136.3	49.6	172.1	-75.1	0	0	0	0	110.5
300	A	37.9	Very low	39	Very low	77 Å²	77	154.9 Å²	154.9	64%	0.636	76%	0.759	S	S	*	*	S	Bend	trans	-144.4	155.7	171.3	0	0	0	0	0	109.3
301	L	35.6	Very low	40.5	Very low	178 Å²	178	148.6 Å²	148.6	93%	0.932	73%	0.728	S	S	*	*	S	Bend	trans	63.7	42.2	-179.6	-58.4	98.2	0	0	0	117.3
302	R	30.5	Very low	41.8	Very low	251 Å²	251	138.8 Å²	138.8	95%	0.947	70%	0.697	S	S	*	*			trans	-148.6	45.1	162	-139.1	175.4	-174.9	179.9	1	119
303	S	35.2	Very low	43.5	Very low	106 Å²	106	138.4 Å²	138.4	74%	0.741	69%	0.692	S	S	*	*			trans	-143.8	117.2	152.4	-164.8	0	0	0	0	112.7
304	K	37.7	Very low	45.5	Very low	223 Å²	223	135 Å²	135	97%	0.97	67%	0.665	S	S	*	*			trans	-139.1	27.4	165.5	-80	-163	172.6	-170.9	0	110.8
305	S	37.5	Very low	47.8	Very low	79 Å²	79	126.5 Å²	126.5	55%	0.552	63%	0.629	S	S	*	*			trans	-112.7	114.1	179	-170.8	0	0	0	0	109.3	N307	S305-N307 PolarHBondContact O-N 2.9Å
306	R	36.7	Very low	50.4	Low	213 Å²	213	116.4 Å²	116.4	80%	0.804	59%	0.594	S	S	*	*			trans	-72.7	87.1	178.9	-63.9	172.1	84.6	175.9	5.6	108.8
307	N	38.8	Very low	53	Low	113 Å²	113	115.2 Å²	115.2	60%	0.604	59%	0.585	S	S	*	*			trans	-155	81.9	-175.4	-104	-41.9	0	0	0	113.6	S305 K309	S305-N307 PolarHBondContact O-N 2.9Å; N307-K309 VanDerWaalsContact C-N 3.26Å; N307-K309 PolarHBondContact O-N 2.81Å
308	N	43.9	Very low	55.5	Low	110 Å²	110	106.2 Å²	106.2	59%	0.588	55%	0.55	S	S	*	*	S	Bend	trans	40.1	8.3	147.1	-73.9	-20.7	0	0	0	122.8	R374	N308-R374 PolarHBondContact ND2-NH2 3.27Å
309	K	50.2	Low	58.3	Low	151 Å²	151	99.7 Å²	99.7	66%	0.657	52%	0.516	S	S	*	.			trans	-96.5	-9.9	-164.2	-79.9	-166.7	168	-171.9	0	117.2	F113 N307	F113-K309 HydrophobicContact CE1-CB 4.2Å; F113-K309 HydrophobicContact CE1-CD 4.48Å; F113-K309 HydrophobicContact CE1-CG 4.07Å; F113-K309 WeakPolarHBondContact CE1-O 3.41Å; F113-K309 HydrophobicContact CZ-CG 4.4Å; N307-K309 VanDerWaalsContact C-N 3.26Å; N307-K309 PolarHBondContact O-N 2.81Å
310	T	60.2	Low	61.3	Low	62 Å²	62	96.7 Å²	96.7	38%	0.38	49%	0.491	S	S	.	.			trans	-145.4	67.5	-173.5	48.5	0	0	0	0	114.4	G312 E313	T310-G312 PolarHBondContact O-N 3.35Å; T310-E313 WeakPolarHBondContact CB-OE2 3.44Å; T310-E313 HydrophobicContact CG2-CG 4.42Å; T310-E313 WeakPolarHBondContact CG2-OE1 3.4Å; T310-E313 PolarHBondContact O-N 3.16Å; T310-E313 PolarHBondContact OG1-OE2 3.35Å
311	W	70	Confident	64	Low	49 Å²	49	96.2 Å²	96.2	19%	0.186	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	134.5	166.2	-71.8	-1.8	0	0	0	110.8	F115 I367 R371 L381 C382 E383 I384	F115-W311 WeakPolarHBondContact CD1-O 3.49Å; F115-W311 WeakPolarHBondContact CE1-O 3.44Å; W311-I367 HydrophobicContact CZ3-CG2 4.31Å; W311-R371 HydrophobicContact CH2-CG 3.44Å; W311-R371 VanDerWaalsContact CH2-CG 3.44Å; W311-R371 HydrophobicContact CZ3-CG 3.48Å; W311-R371 VanDerWaalsContact CZ3-CG 3.48Å; W311-L381 HydrophobicContact CH2-CB 4.3Å; W311-L381 HydrophobicContact CH2-CD2 3.65Å; W311-L381 HydrophobicContact CH2-CG 3.64Å; W311-L381 HydrophobicContact CZ2-CG 4.32Å; W311-L381 VanDerWaalsContact CZ2-O 3.3Å; W311-L381 WeakPolarHBondContact CZ2-O 3.32Å; W311-L381 HydrophobicContact CZ3-CD2 3.69Å; W311-L381 HydrophobicContact CZ3-CG 4.06Å; W311-C382 PolarHBondContact NE1-O 3.46Å; W311-E383 HydrophobicContact CG-CB 4.36Å; W311-I384 HydrophobicContact CE3-CD1 3.88Å; W311-I384 HydrophobicContact CE3-CG1 3.93Å; W311-I384 HydrophobicContact CZ3-CD1 4.23Å; W311-I384 HydrophobicContact CZ3-CG1 4.35Å
312	G	64.2	Low	66.8	Low	21 Å²	21	91.8 Å²	91.8	22%	0.216	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	94	0.7	-177.2	0	0	0	0	0	115.6	F115 T310 I384	F115-G312 VanDerWaalsContact CZ-C 3.47Å; F115-G312 WeakPolarHBondContact CZ-O 3.45Å; T310-G312 PolarHBondContact O-N 3.35Å; G312-I384 VanDerWaalsContact CA-O 3.28Å; G312-I384 WeakPolarHBondContact CA-O 3.35Å; G312-I384 PolarHBondContact N-O 3.09Å
313	E	70.9	Confident	69.9	Low	126 Å²	126	84.6 Å²	84.6	59%	0.589	44%	0.437	S	S	*	.			trans	-83	-26.5	171.1	-76.9	-174.2	162.1	0	0	113.7	F115 T310	F115-E313 HydrophobicContact CD2-CG 4.36Å; F115-E313 HydrophobicContact CE2-CG 3.33Å; F115-E313 HydrophobicContact CZ-CB 4.47Å; F115-E313 HydrophobicContact CZ-CG 3.62Å; T310-E313 WeakPolarHBondContact CB-OE2 3.44Å; T310-E313 HydrophobicContact CG2-CG 4.42Å; T310-E313 WeakPolarHBondContact CG2-OE1 3.4Å; T310-E313 PolarHBondContact O-N 3.16Å; T310-E313 PolarHBondContact OG1-OE2 3.35Å
314	R	83.6	Confident	72.7	Confident	59 Å²	59	82.6 Å²	82.6	22%	0.223	42%	0.416	C	S	.	.	S	Bend	trans	-82.5	137.2	173.8	-72.9	-176.9	69.1	-173.2	11.9	110.1	A318 D338 E383 V385	R314-A318 PolarHBondContact NH2-O 2.97Å; R314-D338 IonicContact CZ-OD2 2.93Å; R314-D338 VanDerWaalsContact CZ-OD2 3.24Å; R314-D338 IonicContact NH1-OD2 3.27Å; R314-D338 PolarHBondContact NH1-OD2 3.45Å; R314-D338 VanDerWaalsContact NH2-CG 3.31Å; R314-D338 IonicContact NH2-OD1 3.79Å; R314-D338 PolarHBondContact NH2-OD1 3.12Å; R314-D338 IonicContact NH2-OD2 3.84Å; R314-D338 PolarHBondContact NH2-OD2 2.87Å; R314-E383 WeakPolarHBondContact CD-OE1 3.24Å; R314-E383 WeakPolarHBondContact CD-OE2 3.42Å; R314-E383 IonicContact CZ-OE1 2.6Å; R314-E383 IonicContact NE-OE1 3.85Å; R314-E383 IonicContact NH1-OE1 3.91Å; R314-E383 PolarHBondContact NH1-OE1 3.11Å; R314-V385 HydrophobicContact CB-CG1 3.64Å; R314-V385 WeakPolarHBondContact O-CA 3.43Å; R314-V385 WeakPolarHBondContact O-CB 3.47Å; R314-V385 VanDerWaalsContact O-CG1 3.31Å; R314-V385 WeakPolarHBondContact O-CG1 3.47Å
315	S	86.7	Confident	75.4	Confident	10 Å²	10	72.7 Å²	72.7	7%	0.07	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-88.8	157.1	165.7	171	0	0	0	0	110.5	T317 A318 T386 D389	S315-T317 WeakPolarHBondContact CB-OG1 3.48Å; S315-T317 PolarHBondContact O-N 3.18Å; S315-T317 VanDerWaalsContact O-N 3.15Å; S315-T317 PolarHBondContact OG-N 3.23Å; S315-T317 PolarHBondContact OG-OG1 2.66Å; S315-T317 VanDerWaalsContact OG-OG1 3.05Å; S315-A318 VanDerWaalsContact O-CB 3.31Å; S315-A318 WeakPolarHBondContact O-CB 3.47Å; S315-A318 PolarHBondContact O-N 3.35Å; S315-T386 CarbonylContact C-O 3.57Å; S315-T386 VanDerWaalsContact CA-O 3.24Å; S315-T386 WeakPolarHBondContact CA-O 3.26Å; S315-T386 PolarHBondContact OG-O 3.34Å; S315-D389 WeakPolarHBondContact CB-OD1 3.29Å; S315-D389 PolarHBondContact OG-OD1 3.01Å
316	V	91.4	Very high	77.9	Confident	25 Å²	25	69.7 Å²	69.7	15%	0.152	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-59.7	-21.3	173.8	79.8	0	0	0	0	111.5	A318 F319 L347 V385 T386 D387 F402	V316-A318 PolarHBondContact O-N 3.46Å; V316-A318 VanDerWaalsContact O-N 3.12Å; V316-F319 PolarHBondContact O-N 3.07Å; V316-L347 HydrophobicContact CG2-CD1 4.06Å; V316-V385 HydrophobicContact CB-CG2 4.4Å; V316-T386 PolarHBondContact N-O 3.48Å; V316-D387 HydrophobicContact CG1-CB 4.25Å; V316-F402 HydrophobicContact CB-CD2 4.14Å; V316-F402 HydrophobicContact CB-CE2 4.04Å; V316-F402 HydrophobicContact CG1-CE2 4.24Å; V316-F402 HydrophobicContact CG2-CD1 4.48Å; V316-F402 HydrophobicContact CG2-CD2 3.98Å; V316-F402 HydrophobicContact CG2-CE1 4.4Å; V316-F402 HydrophobicContact CG2-CE2 3.92Å; V316-F402 HydrophobicContact CG2-CG 4.28Å; V316-F402 HydrophobicContact CG2-CZ 4.13Å
317	T	91.4	Very high	80.3	Confident	75 Å²	75	65 Å²	65	46%	0.46	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-56.6	-23.9	172	58	0	0	0	0	113.1	S315 F319 K339 D389	S315-T317 WeakPolarHBondContact CB-OG1 3.48Å; S315-T317 PolarHBondContact O-N 3.18Å; S315-T317 VanDerWaalsContact O-N 3.15Å; S315-T317 PolarHBondContact OG-N 3.23Å; S315-T317 PolarHBondContact OG-OG1 2.66Å; S315-T317 VanDerWaalsContact OG-OG1 3.05Å; T317-F319 PolarHBondContact O-N 3.1Å; T317-K339 WeakPolarHBondContact O-CD 3.45Å; T317-K339 PolarHBondContact O-NZ 2.7Å; T317-D389 PolarHBondContact OG1-OD1 2.98Å
318	A	92.5	Very high	82.1	Confident	23 Å²	23	61.2 Å²	61.2	19%	0.19	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-76.2	-2.5	174.8	0	0	0	0	0	114.5	R314 S315 V316 K339	R314-A318 PolarHBondContact NH2-O 2.97Å; S315-A318 VanDerWaalsContact O-CB 3.31Å; S315-A318 WeakPolarHBondContact O-CB 3.47Å; S315-A318 PolarHBondContact O-N 3.35Å; V316-A318 PolarHBondContact O-N 3.46Å; V316-A318 VanDerWaalsContact O-N 3.12Å; A318-K339 WeakPolarHBondContact O-CB 3.29Å; A318-K339 PolarHBondContact O-N 2.76Å; A318-K339 VanDerWaalsContact O-N 3.13Å
319	F	96.1	Very high	83.4	Confident	5 Å²	5	59.8 Å²	59.8	2%	0.022	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	157.5	172.8	-61.3	-87.7	0	0	0	110.8	V316 T317 A336 R337 D338 K339 K345 L347 V385 V404	V316-F319 PolarHBondContact O-N 3.07Å; T317-F319 PolarHBondContact O-N 3.1Å; F319-A336 HydrophobicContact CB-CB 4.29Å; F319-R337 CarbonylContact C-O 3.51Å; F319-R337 WeakPolarHBondContact CA-O 3.37Å; F319-D338 HydrophobicContact CD1-CB 4.06Å; F319-D338 HydrophobicContact CE1-CB 3.91Å; F319-D338 WeakPolarHBondContact CE1-OD2 3.45Å; F319-K339 WeakPolarHBondContact O-CE 3.41Å; F319-K339 PolarHBondContact O-NZ 3.19Å; F319-K345 HydrophobicContact CE1-CB 4.37Å; F319-K345 HydrophobicContact CE1-CG 4.1Å; F319-L347 HydrophobicContact CB-CD1 4.22Å; F319-L347 HydrophobicContact CD2-CD2 4.47Å; F319-L347 HydrophobicContact CG-CD1 4.43Å; F319-L347 HydrophobicContact CG-CD2 4.44Å; F319-V385 HydrophobicContact CE2-CG1 4.02Å; F319-V385 HydrophobicContact CE2-CG2 4.24Å; F319-V404 HydrophobicContact CE1-CG1 4.14Å; F319-V404 HydrophobicContact CE2-CG2 4.34Å; F319-V404 HydrophobicContact CZ-CG1 3.9Å; F319-V404 HydrophobicContact CZ-CG2 4.26Å
320	D	96.3	Very high	84.4	Confident	74 Å²	74	54.8 Å²	54.8	40%	0.396	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	108.1	170.7	-164.7	36.3	0	0	0	108.2	A336 R337 K339	D320-A336 CarbonylContact O-C 3.56Å; D320-A336 WeakPolarHBondContact O-CA 3.47Å; D320-A336 WeakPolarHBondContact O-CB 3.47Å; D320-R337 HydrophobicContact CB-CB 4.41Å; D320-R337 PolarHBondContact N-O 3.06Å; D320-R337 PolarHBondContact O-N 3.16Å; D320-K339 HydrophobicContact CB-CG 4.27Å
321	T	95.1	Very high	85.4	Confident	68 Å²	68	52 Å²	52	42%	0.417	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	118.2	-171.6	-58.9	0	0	0	0	110	Y334	T321-Y334 HydrophobicContact CG2-CD1 3.99Å; T321-Y334 HydrophobicContact CG2-CG 3.9Å
322	L	94.8	Very high	86.4	Confident	85 Å²	85	51.9 Å²	51.9	45%	0.445	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-62	-164.6	-54.6	173.7	0	0	0	112.6	K335 R337 Y344	L322-K335 WeakPolarHBondContact CB-O 3.2Å; L322-K335 PolarHBondContact N-O 2.79Å; L322-R337 HydrophobicContact CD1-CB 4.37Å; L322-Y344 HydrophobicContact CD1-CD1 4.1Å; L322-Y344 HydrophobicContact CD1-CE1 3.64Å
323	I	94.2	Very high	87.9	Confident	99 Å²	99	52.5 Å²	52.5	51%	0.508	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	145.8	-175	-166.5	172.1	0	0	0	110.7	V325 Y334 K335	I323-V325 HydrophobicContact CG2-CG1 4.11Å; I323-V325 PolarHBondContact O-N 3.37Å; I323-Y334 CarbonylContact O-C 3.58Å; I323-Y334 VanDerWaalsContact O-CA 3.32Å; I323-Y334 WeakPolarHBondContact O-CA 3.41Å; I323-K335 HydrophobicContact CG2-CB 4.06Å; I323-K335 PolarHBondContact N-O 2.6Å; I323-K335 PolarHBondContact O-N 2.92Å
324	Q	94.6	Very high	89.1	Confident	64 Å²	64	49 Å²	49	30%	0.299	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	123	169.8	-162.1	-171.1	-30.5	0	0	109.1	G326 H332 V333 Y334 M635	Q324-G326 WeakPolarHBondContact CG-O 3.29Å; Q324-G326 PolarHBondContact NE2-O 2.94Å; Q324-H332 HydrophobicContact CG-CB 4.28Å; Q324-V333 CarbonylContact C-O 3.58Å; Q324-V333 WeakPolarHBondContact CA-O 3.5Å; Q324-V333 WeakPolarHBondContact CG-O 3.44Å; Q324-Y334 HydrophobicContact CB-CD1 3.78Å; Q324-Y334 HydrophobicContact CB-CE1 3.78Å; Q324-Y334 HydrophobicContact CG-CD1 4.02Å; Q324-Y334 HydrophobicContact CG-CE1 3.83Å; Q324-M635 HydrophobicContact CB-CE 4.04Å; Q324-M635 HydrophobicContact CG-CE 3.89Å; Q324-M635 WeakPolarHBondContact O-CE 3.37Å
325	V	93.3	Very high	89.8	Confident	15 Å²	15	47.3 Å²	47.3	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-22.2	-179.2	-69.9	0	0	0	0	113.2	I323 V333 K335 Y407	I323-V325 HydrophobicContact CG2-CG1 4.11Å; I323-V325 PolarHBondContact O-N 3.37Å; V325-V333 HydrophobicContact CG2-CB 4.23Å; V325-V333 HydrophobicContact CG2-CG1 3.86Å; V325-V333 WeakPolarHBondContact CG2-O 3.27Å; V325-V333 PolarHBondContact N-O 3.45Å; V325-K335 HydrophobicContact CG1-CB 3.7Å; V325-Y407 HydrophobicContact CG1-CE2 4.32Å; V325-Y407 HydrophobicContact CG2-CE2 4.42Å
326	G	90.9	Very high	90.3	Very high	17 Å²	17	46.8 Å²	46.8	18%	0.175	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	164.3	176.2	0	0	0	0	0	114.1	Q324 V333	Q324-G326 WeakPolarHBondContact CG-O 3.29Å; Q324-G326 PolarHBondContact NE2-O 2.94Å; G326-V333 PolarHBondContact N-O 3.36Å; G326-V333 VanDerWaalsContact N-O 3.15Å; G326-V333 PolarHBondContact O-N 3.02Å
327	E	87.9	Confident	90.6	Very high	113 Å²	113	51.6 Å²	51.6	53%	0.528	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.6	164.1	175.2	169.4	-172	0	0	107.9	H332 R351 M635	E327-H332 IonicContact OE1-NE2 2.7Å; E327-R351 IonicContact OE1-CZ 2.71Å; E327-R351 IonicContact OE1-NH1 2.74Å; E327-R351 IonicContact OE1-NH2 2.88Å; E327-R351 PolarHBondContact OE1-NH2 3.49Å; E327-M635 HydrophobicContact CB-SD 4.44Å
328	G	75.7	Confident	90.8	Very high	35 Å²	35	48.3 Å²	48.3	36%	0.361	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	178.7	173.2	0	0	0	0	0	111.2	Y330 G331 R351	G328-Y330 VanDerWaalsContact C-N 3.26Å; G328-Y330 PolarHBondContact O-N 3.49Å; G328-G331 PolarHBondContact N-O 3.31Å; G328-G331 PolarHBondContact O-N 3.3Å; G328-G331 VanDerWaalsContact O-N 3.07Å; G328-R351 PolarHBondContact O-NH1 3.42Å
329	T	70.9	Confident	91	Very high	79 Å²	79	53 Å²	53	49%	0.485	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-48.2	178.8	49.8	0	0	0	0	112.2	G331 R351	T329-G331 VanDerWaalsContact C-N 3.35Å; T329-G331 PolarHBondContact O-N 2.87Å; T329-R351 PolarHBondContact O-NH1 3.13Å; T329-R351 VanDerWaalsContact O-NH1 3.13Å
330	Y	70.8	Confident	90.9	Very high	46 Å²	46	59.3 Å²	59.3	18%	0.18	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.5	-175.4	-47.5	-49.7	0	0	0	115	G328 R351 T362	G328-Y330 VanDerWaalsContact C-N 3.26Å; G328-Y330 PolarHBondContact O-N 3.49Å; Y330-R351 PolarHBondContact O-N 3.19Å; Y330-T362 HydrophobicContact CD1-CG2 4.42Å; Y330-T362 WeakPolarHBondContact CD1-OG1 3.49Å; Y330-T362 VanDerWaalsContact CE1-CB 3.48Å; Y330-T362 HydrophobicContact CE1-CG2 3.52Å; Y330-T362 WeakPolarHBondContact CE1-OG1 3.44Å; Y330-T362 WeakPolarHBondContact OH-CG2 3.44Å
331	G	82.4	Confident	90.8	Very high	3 Å²	3	58.7 Å²	58.7	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.8	-164.7	173.5	0	0	0	0	0	115.9	G328 T329 K349	G328-G331 PolarHBondContact N-O 3.31Å; G328-G331 PolarHBondContact O-N 3.3Å; G328-G331 VanDerWaalsContact O-N 3.07Å; T329-G331 VanDerWaalsContact C-N 3.35Å; T329-G331 PolarHBondContact O-N 2.87Å; G331-K349 WeakPolarHBondContact CA-O 3.38Å
332	H	91.7	Very high	90.8	Very high	48 Å²	48	57.2 Å²	57.2	22%	0.222	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.4	-175.3	-44.3	131.9	0	0	0	110.9	Q324 E327 Y334 K349 R351	Q324-H332 HydrophobicContact CG-CB 4.28Å; E327-H332 IonicContact OE1-NE2 2.7Å; H332-Y334 HydrophobicContact CB-CE2 3.66Å; H332-Y334 PolarHBondContact ND1-OH 3.29Å; H332-K349 PolarHBondContact O-N 3.25Å; H332-R351 PolarHBondContact CD2-NH2 3.01Å; H332-R351 PolarHBondContact NE2-NH2 3.32Å
333	V	95.2	Very high	90.8	Very high	34 Å²	34	57.2 Å²	57.2	21%	0.206	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.3	176.7	-171.8	0	0	0	0	109.3	Q324 V325 G326 A346 L347 K348	Q324-V333 CarbonylContact C-O 3.58Å; Q324-V333 WeakPolarHBondContact CA-O 3.5Å; Q324-V333 WeakPolarHBondContact CG-O 3.44Å; V325-V333 HydrophobicContact CG2-CB 4.23Å; V325-V333 HydrophobicContact CG2-CG1 3.86Å; V325-V333 WeakPolarHBondContact CG2-O 3.27Å; V325-V333 PolarHBondContact N-O 3.45Å; G326-V333 PolarHBondContact N-O 3.36Å; G326-V333 VanDerWaalsContact N-O 3.15Å; G326-V333 PolarHBondContact O-N 3.02Å; V333-A346 HydrophobicContact CG1-CB 4.19Å; V333-L347 WeakPolarHBondContact CA-O 3.42Å; V333-K348 HydrophobicContact CG2-CB 4.34Å; V333-K348 HydrophobicContact CG2-CG 4.14Å
334	Y	96.4	Very high	91	Very high	52 Å²	52	58.1 Å²	58.1	20%	0.204	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.7	-179.9	-54.5	-91.3	0	0	0	111.9	T321 I323 Q324 H332 A346 L347 K349	T321-Y334 HydrophobicContact CG2-CD1 3.99Å; T321-Y334 HydrophobicContact CG2-CG 3.9Å; I323-Y334 CarbonylContact O-C 3.58Å; I323-Y334 VanDerWaalsContact O-CA 3.32Å; I323-Y334 WeakPolarHBondContact O-CA 3.41Å; Q324-Y334 HydrophobicContact CB-CD1 3.78Å; Q324-Y334 HydrophobicContact CB-CE1 3.78Å; Q324-Y334 HydrophobicContact CG-CD1 4.02Å; Q324-Y334 HydrophobicContact CG-CE1 3.83Å; H332-Y334 HydrophobicContact CB-CE2 3.66Å; H332-Y334 PolarHBondContact ND1-OH 3.29Å; Y334-A346 CarbonylContact O-C 3.57Å; Y334-A346 WeakPolarHBondContact O-CA 3.44Å; Y334-L347 PolarHBondContact N-O 2.84Å; Y334-L347 PolarHBondContact O-N 3.26Å; Y334-K349 HydrophobicContact CE2-CB 4.25Å
335	K	97.1	Very high	91.1	Very high	23 Å²	23	56 Å²	56	10%	0.1	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125	161.4	-176.2	175.3	-171.4	166.9	0	107.5	L322 I323 V325 Y344 Y407 D631	L322-K335 WeakPolarHBondContact CB-O 3.2Å; L322-K335 PolarHBondContact N-O 2.79Å; I323-K335 HydrophobicContact CG2-CB 4.06Å; I323-K335 PolarHBondContact N-O 2.6Å; I323-K335 PolarHBondContact O-N 2.92Å; V325-K335 HydrophobicContact CG1-CB 3.7Å; K335-Y344 HydrophobicContact CG-CD1 4.3Å; K335-Y407 HydrophobicContact CB-CD2 4.28Å; K335-Y407 HydrophobicContact CB-CE2 3.9Å; K335-Y407 HydrophobicContact CD-CD1 4.32Å; K335-Y407 HydrophobicContact CD-CE1 3.67Å; K335-Y407 HydrophobicContact CD-CE2 3.99Å; K335-Y407 HydrophobicContact CG-CD1 4.35Å; K335-Y407 HydrophobicContact CG-CD2 4.02Å; K335-Y407 HydrophobicContact CG-CE1 4.12Å; K335-Y407 HydrophobicContact CG-CE2 3.82Å; K335-Y407 HydrophobicContact CG-CG 4.32Å; K335-D631 WeakPolarHBondContact CD-OD2 3.4Å; K335-D631 IonicContact NZ-OD1 2.73Å; K335-D631 PolarHBondContact NZ-OD1 3.2Å; K335-D631 IonicContact NZ-OD2 2.72Å; K335-D631 PolarHBondContact NZ-OD2 3.49Å
336	A	97.6	Very high	91.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	160.5	178.9	0	0	0	0	0	110.3	F319 D320 Y344 K345 L347	F319-A336 HydrophobicContact CB-CB 4.29Å; D320-A336 CarbonylContact O-C 3.56Å; D320-A336 WeakPolarHBondContact O-CA 3.47Å; D320-A336 WeakPolarHBondContact O-CB 3.47Å; A336-Y344 CarbonylContact O-C 3.59Å; A336-Y344 VanDerWaalsContact O-CA 3.29Å; A336-Y344 WeakPolarHBondContact O-CA 3.44Å; A336-K345 PolarHBondContact N-O 2.85Å; A336-K345 PolarHBondContact O-N 3.47Å; A336-L347 HydrophobicContact CB-CD1 3.5Å; A336-L347 HydrophobicContact CB-CG 3.79Å
337	R	97.7	Very high	91.5	Very high	125 Å²	125	55 Å²	55	47%	0.472	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.7	174.8	172.1	175.7	158.3	-160.4	-4.4	109.7	F319 D320 L322 K339 Y344	F319-R337 CarbonylContact C-O 3.51Å; F319-R337 WeakPolarHBondContact CA-O 3.37Å; D320-R337 HydrophobicContact CB-CB 4.41Å; D320-R337 PolarHBondContact N-O 3.06Å; D320-R337 PolarHBondContact O-N 3.16Å; L322-R337 HydrophobicContact CD1-CB 4.37Å; R337-K339 PolarHBondContact O-N 2.99Å; R337-Y344 HydrophobicContact CB-CD1 4.26Å; R337-Y344 HydrophobicContact CB-CE1 4.35Å
338	D	96.5	Very high	91.8	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	124.8	173	-173.1	-58.3	0	0	0	109.7	R314 F319 I340 T341 G342 E343	R314-D338 IonicContact CZ-OD2 2.93Å; R314-D338 VanDerWaalsContact CZ-OD2 3.24Å; R314-D338 IonicContact NH1-OD2 3.27Å; R314-D338 PolarHBondContact NH1-OD2 3.45Å; R314-D338 VanDerWaalsContact NH2-CG 3.31Å; R314-D338 IonicContact NH2-OD1 3.79Å; R314-D338 PolarHBondContact NH2-OD1 3.12Å; R314-D338 IonicContact NH2-OD2 3.84Å; R314-D338 PolarHBondContact NH2-OD2 2.87Å; F319-D338 HydrophobicContact CD1-CB 4.06Å; F319-D338 HydrophobicContact CE1-CB 3.91Å; F319-D338 WeakPolarHBondContact CE1-OD2 3.45Å; D338-I340 PolarHBondContact O-N 2.83Å; D338-I340 WeakPolarHBondContact OD1-CA 3.43Å; D338-I340 WeakPolarHBondContact OD1-CB 3.5Å; D338-I340 PolarHBondContact OD1-N 3.07Å; D338-T341 WeakPolarHBondContact CB-OG1 3.42Å; D338-T341 PolarHBondContact OD1-N 3.25Å; D338-G342 VanDerWaalsContact O-CA 3.27Å; D338-G342 WeakPolarHBondContact O-CA 3.49Å; D338-G342 PolarHBondContact O-N 2.89Å; D338-E343 PolarHBondContact N-O 3.09Å
339	K	95.8	Very high	92.6	Very high	121 Å²	121	51.6 Å²	51.6	53%	0.526	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.6	-175.7	-70.7	170.9	172.2	153.5	0	113.7	T317 A318 F319 D320 R337	T317-K339 WeakPolarHBondContact O-CD 3.45Å; T317-K339 PolarHBondContact O-NZ 2.7Å; A318-K339 WeakPolarHBondContact O-CB 3.29Å; A318-K339 PolarHBondContact O-N 2.76Å; A318-K339 VanDerWaalsContact O-N 3.13Å; F319-K339 WeakPolarHBondContact O-CE 3.41Å; F319-K339 PolarHBondContact O-NZ 3.19Å; D320-K339 HydrophobicContact CB-CG 4.27Å; R337-K339 PolarHBondContact O-N 2.99Å
340	I	93.8	Very high	93.4	Very high	138 Å²	138	48.1 Å²	48.1	71%	0.708	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	-44.3	-178.7	-58.2	173.1	0	0	0	110.9	D338	D338-I340 PolarHBondContact O-N 2.83Å; D338-I340 WeakPolarHBondContact OD1-CA 3.43Å; D338-I340 WeakPolarHBondContact OD1-CB 3.5Å; D338-I340 PolarHBondContact OD1-N 3.07Å
341	T	94.6	Very high	93.9	Very high	60 Å²	60	49.3 Å²	49.3	37%	0.368	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-21.5	-178.4	68.3	0	0	0	0	113.7	D338 E343	D338-T341 WeakPolarHBondContact CB-OG1 3.42Å; D338-T341 PolarHBondContact OD1-N 3.25Å; T341-E343 PolarHBondContact O-N 3.2Å; T341-E343 WeakPolarHBondContact OG1-CB 3.42Å; T341-E343 WeakPolarHBondContact OG1-CG 3.46Å; T341-E343 PolarHBondContact OG1-N 2.96Å
342	G	95.2	Very high	93.7	Very high	38 Å²	38	49.8 Å²	49.8	39%	0.392	24%	0.237	S	C	.	.			trans	75.2	-3	-171.4	0	0	0	0	0	114.5	D338	D338-G342 VanDerWaalsContact O-CA 3.27Å; D338-G342 WeakPolarHBondContact O-CA 3.49Å; D338-G342 PolarHBondContact O-N 2.89Å
343	E	95.7	Very high	92.6	Very high	85 Å²	85	54.2 Å²	54.2	40%	0.397	26%	0.258	S	S	.	.			trans	-71.7	143.7	179.8	-64	169.2	-163.5	0	0	111.5	D338 T341 K345	D338-E343 PolarHBondContact N-O 3.09Å; T341-E343 PolarHBondContact O-N 3.2Å; T341-E343 WeakPolarHBondContact OG1-CB 3.42Å; T341-E343 WeakPolarHBondContact OG1-CG 3.46Å; T341-E343 PolarHBondContact OG1-N 2.96Å; E343-K345 VanDerWaalsContact OE2-CE 3.29Å; E343-K345 WeakPolarHBondContact OE2-CE 3.16Å; E343-K345 IonicContact OE2-NZ 2.74Å; E343-K345 PolarHBondContact OE2-NZ 3.42Å
344	Y	97	Very high	91.1	Very high	118 Å²	118	59.6 Å²	59.6	46%	0.463	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	138.5	167.3	-64.9	-72.9	0	0	0	111.1	L322 K335 A336 R337 Y407	L322-Y344 HydrophobicContact CD1-CD1 4.1Å; L322-Y344 HydrophobicContact CD1-CE1 3.64Å; K335-Y344 HydrophobicContact CG-CD1 4.3Å; A336-Y344 CarbonylContact O-C 3.59Å; A336-Y344 VanDerWaalsContact O-CA 3.29Å; A336-Y344 WeakPolarHBondContact O-CA 3.44Å; R337-Y344 HydrophobicContact CB-CD1 4.26Å; R337-Y344 HydrophobicContact CB-CE1 4.35Å; Y344-Y407 WeakPolarHBondContact O-CB 3.49Å
345	K	97.3	Very high	89.5	Confident	18 Å²	18	59.9 Å²	59.9	8%	0.078	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.9	175.5	-60.8	-60.5	173.8	-153	0	110.3	F319 A336 E343 V404 F405 D406	F319-K345 HydrophobicContact CE1-CB 4.37Å; F319-K345 HydrophobicContact CE1-CG 4.1Å; A336-K345 PolarHBondContact N-O 2.85Å; A336-K345 PolarHBondContact O-N 3.47Å; E343-K345 VanDerWaalsContact OE2-CE 3.29Å; E343-K345 WeakPolarHBondContact OE2-CE 3.16Å; E343-K345 IonicContact OE2-NZ 2.74Å; E343-K345 PolarHBondContact OE2-NZ 3.42Å; K345-V404 HydrophobicContact CB-CG1 3.95Å; K345-V404 HydrophobicContact CG-CG1 4.12Å; K345-F405 CarbonylContact C-O 3.58Å; K345-F405 VanDerWaalsContact CA-O 3.24Å; K345-F405 WeakPolarHBondContact CA-O 3.45Å; K345-F405 VanDerWaalsContact CB-O 3.32Å; K345-F405 WeakPolarHBondContact CB-O 3.28Å; K345-F405 WeakPolarHBondContact CD-O 3.42Å; K345-D406 IonicContact NZ-OD1 3.56Å; K345-D406 PolarHBondContact NZ-OD1 3.46Å
346	A	97.2	Very high	88	Confident	13 Å²	13	70.9 Å²	70.9	11%	0.107	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.5	169.4	0	0	0	0	0	110	V333 Y334 F405 Y407	V333-A346 HydrophobicContact CG1-CB 4.19Å; Y334-A346 CarbonylContact O-C 3.57Å; Y334-A346 WeakPolarHBondContact O-CA 3.44Å; A346-F405 HydrophobicContact CB-CB 4.34Å; A346-F405 PolarHBondContact N-O 2.78Å; A346-F405 PolarHBondContact O-N 2.94Å; A346-Y407 HydrophobicContact CB-CD2 4.23Å
347	L	95.8	Very high	86.3	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	103.4	177.3	-58	-178.7	0	0	0	109.9	V316 F319 V333 Y334 A336 K349 F402 V404	V316-L347 HydrophobicContact CG2-CD1 4.06Å; F319-L347 HydrophobicContact CB-CD1 4.22Å; F319-L347 HydrophobicContact CD2-CD2 4.47Å; F319-L347 HydrophobicContact CG-CD1 4.43Å; F319-L347 HydrophobicContact CG-CD2 4.44Å; V333-L347 WeakPolarHBondContact CA-O 3.42Å; Y334-L347 PolarHBondContact N-O 2.84Å; Y334-L347 PolarHBondContact O-N 3.26Å; A336-L347 HydrophobicContact CB-CD1 3.5Å; A336-L347 HydrophobicContact CB-CG 3.79Å; L347-K349 PolarHBondContact O-N 3.13Å; L347-F402 HydrophobicContact CB-CD1 4.19Å; L347-V404 HydrophobicContact CD2-CB 4.25Å; L347-V404 HydrophobicContact CD2-CG1 4.03Å; L347-V404 HydrophobicContact CD2-CG2 3.73Å
348	K	94.2	Very high	85.1	Confident	22 Å²	22	69.1 Å²	69.1	10%	0.096	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	99.8	173.7	-170.8	-179.2	-164.3	-172.9	0	108.3	V333 V350 E366 F402 L403 F405 D469	V333-K348 HydrophobicContact CG2-CB 4.34Å; V333-K348 HydrophobicContact CG2-CG 4.14Å; K348-V350 PolarHBondContact O-N 2.84Å; K348-E366 IonicContact NZ-OE1 2.72Å; K348-E366 PolarHBondContact NZ-OE1 2.95Å; K348-E366 IonicContact NZ-OE2 3.22Å; K348-E366 PolarHBondContact NZ-OE2 3.48Å; K348-F402 WeakPolarHBondContact O-CA 3.49Å; K348-L403 HydrophobicContact CB-CB 4.3Å; K348-L403 HydrophobicContact CD-CD1 4.48Å; K348-L403 PolarHBondContact N-O 3.33Å; K348-L403 PolarHBondContact O-N 3.26Å; K348-F405 HydrophobicContact CB-CD2 4.45Å; K348-F405 HydrophobicContact CB-CE2 3.78Å; K348-F405 HydrophobicContact CD-CE2 4.03Å; K348-F405 HydrophobicContact CD-CZ 4.45Å; K348-D469 IonicContact NZ-OD1 2.74Å; K348-D469 PolarHBondContact NZ-OD1 3.45Å
349	K	92.6	Very high	84.1	Confident	53 Å²	53	68.8 Å²	68.8	23%	0.23	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	121	176.3	-173.7	-169.7	177.2	-163.7	0	108.8	G331 H332 Y334 L347 A400 F402	G331-K349 WeakPolarHBondContact CA-O 3.38Å; H332-K349 PolarHBondContact O-N 3.25Å; Y334-K349 HydrophobicContact CE2-CB 4.25Å; L347-K349 PolarHBondContact O-N 3.13Å; K349-A400 HydrophobicContact CG-CB 4.4Å; K349-F402 HydrophobicContact CB-CD1 3.71Å; K349-F402 HydrophobicContact CB-CE1 3.62Å; K349-F402 HydrophobicContact CB-CZ 4.48Å; K349-F402 HydrophobicContact CD-CE1 4.21Å; K349-F402 HydrophobicContact CD-CZ 4.38Å; K349-F402 HydrophobicContact CG-CD1 4.07Å; K349-F402 HydrophobicContact CG-CE1 3.66Å; K349-F402 HydrophobicContact CG-CZ 4.04Å
350	V	86.6	Confident	83.3	Confident	6 Å²	6	63.2 Å²	63.2	4%	0.036	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	120.9	176.5	-175.5	0	0	0	0	109.2	K348 L352 F359 P360 A363 F401 L403	K348-V350 PolarHBondContact O-N 2.84Å; V350-L352 HydrophobicContact CG1-CD2 4.03Å; V350-L352 PolarHBondContact O-N 3.43Å; V350-F359 HydrophobicContact CG1-CE2 4.43Å; V350-F359 HydrophobicContact CG1-CZ 4.26Å; V350-F359 HydrophobicContact CG2-CZ 4.21Å; V350-P360 HydrophobicContact CG1-CG 3.74Å; V350-A363 HydrophobicContact CG1-CB 4.09Å; V350-A363 HydrophobicContact CG2-CB 4.48Å; V350-F401 HydrophobicContact CB-CB 4.47Å; V350-F401 HydrophobicContact CG2-CB 4.42Å; V350-F401 PolarHBondContact N-O 2.69Å; V350-L403 HydrophobicContact CG2-CD2 4.33Å; V350-L403 HydrophobicContact CG2-CG 4.08Å
351	R	80.7	Confident	82.7	Confident	71 Å²	71	60.9 Å²	60.9	27%	0.268	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-68.3	124.5	170.8	-75.3	173.8	172.7	153.2	-1.3	109.7	E327 G328 T329 Y330 H332 P360	E327-R351 IonicContact OE1-CZ 2.71Å; E327-R351 IonicContact OE1-NH1 2.74Å; E327-R351 IonicContact OE1-NH2 2.88Å; E327-R351 PolarHBondContact OE1-NH2 3.49Å; G328-R351 PolarHBondContact O-NH1 3.42Å; T329-R351 PolarHBondContact O-NH1 3.13Å; T329-R351 VanDerWaalsContact O-NH1 3.13Å; Y330-R351 PolarHBondContact O-N 3.19Å; H332-R351 PolarHBondContact CD2-NH2 3.01Å; H332-R351 PolarHBondContact NE2-NH2 3.32Å; R351-P360 WeakPolarHBondContact O-CG 3.3Å
352	L	78.5	Confident	82.2	Confident	14 Å²	14	58.9 Å²	58.9	7%	0.073	28%	0.28	C	S	.	.			trans	-112	2.4	175.2	-57.3	-173.5	0	0	0	113.3	V350 F359 P360 K398 G399 F401	V350-L352 HydrophobicContact CG1-CD2 4.03Å; V350-L352 PolarHBondContact O-N 3.43Å; L352-F359 HydrophobicContact CD2-CD2 4.35Å; L352-P360 HydrophobicContact CD2-CG 4.44Å; L352-K398 HydrophobicContact CD1-CB 4.37Å; L352-G399 WeakPolarHBondContact CD1-O 3.48Å; L352-F401 HydrophobicContact CD1-CD2 4.02Å; L352-F401 HydrophobicContact CD1-CE2 4.26Å
353	E	69	Low	81.8	Confident	141 Å²	141	57.2 Å²	57.2	66%	0.659	26%	0.262	S	S	*	.	S	Bend	trans	-75.8	-35.8	-167.4	-70.7	145.3	-139	0	0	112.2
354	N	64.1	Low	81.4	Confident	146 Å²	146	54.2 Å²	54.2	78%	0.781	25%	0.249	S	C	*	.	S	Bend	trans	-100.1	-14.1	-173.5	-64.3	-4.3	0	0	0	114.3	R356	N354-R356 PolarHBondContact O-N 3.01Å
355	E	63.2	Low	80.9	Confident	58 Å²	58	50.5 Å²	50.5	27%	0.271	24%	0.235	S	C	.	.			trans	-79.1	112.1	-174.6	-136.2	89.7	176.5	0	0	111	E357 G358 P360 I361	E355-E357 PolarHBondContact O-N 3.31Å; E355-E357 VanDerWaalsContact O-N 3.12Å; E355-G358 VanDerWaalsContact CB-O 3.23Å; E355-G358 WeakPolarHBondContact CB-O 3.47Å; E355-P360 VanDerWaalsContact CD-CA 3.49Å; E355-P360 HydrophobicContact CG-CG 4.48Å; E355-P360 VanDerWaalsContact OE1-CA 3.25Å; E355-P360 WeakPolarHBondContact OE1-CA 3.25Å; E355-I361 PolarHBondContact OE1-N 3.37Å
356	R	65	Low	80.6	Confident	254 Å²	254	49.8 Å²	49.8	96%	0.958	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.1	171.9	-65.3	-175.1	-178.2	-178.7	1.2	113.4	N354	N354-R356 PolarHBondContact O-N 3.01Å
357	E	63	Low	80.3	Confident	79 Å²	79	50.2 Å²	50.2	37%	0.369	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-2	-172.6	-52.8	-164.7	135.6	0	0	114.2	H126 K132 E355	H126-E357 WeakPolarHBondContact CE1-CB 3.35Å; H126-E357 IonicContact CE1-OE2 3.03Å; H126-E357 PolarHBondContact CE1-OE2 3.17Å; H126-E357 IonicContact ND1-OE2 2.68Å; H126-E357 PolarHBondContact NE2-O 2.92Å; H126-E357 VanDerWaalsContact NE2-O 3.16Å; K132-E357 IonicContact NZ-OE1 2.65Å; K132-E357 PolarHBondContact NZ-OE1 3.48Å; E355-E357 PolarHBondContact O-N 3.31Å; E355-E357 VanDerWaalsContact O-N 3.12Å
358	G	71.6	Confident	80.1	Confident	9 Å²	9	56.8 Å²	56.8	9%	0.093	26%	0.26	C	S	.	.	S	Bend	trans	103.8	-118	179.7	0	0	0	0	0	113	E122 E355	E122-G358 WeakPolarHBondContact OE2-CA 3.47Å; E355-G358 VanDerWaalsContact CB-O 3.23Å; E355-G358 WeakPolarHBondContact CB-O 3.47Å
359	F	74.6	Confident	80.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-70.2	132	178.1	-161.4	-81.3	0	0	0	111.9	L119 E122 H126 V350 L352 I361 A363 V364 I367 F401	L119-F359 HydrophobicContact CD1-CD2 3.93Å; L119-F359 HydrophobicContact CD1-CE2 3.93Å; E122-F359 HydrophobicContact CB-CB 4.42Å; E122-F359 PolarHBondContact OE2-N 2.86Å; E122-F359 VanDerWaalsContact OE2-N 3.1Å; H126-F359 PolarHBondContact NE2-N 3.07Å; H126-F359 PolarHBondContact NE2-O 3.04Å; V350-F359 HydrophobicContact CG1-CE2 4.43Å; V350-F359 HydrophobicContact CG1-CZ 4.26Å; V350-F359 HydrophobicContact CG2-CZ 4.21Å; L352-F359 HydrophobicContact CD2-CD2 4.35Å; F359-I361 PolarHBondContact O-N 2.96Å; F359-A363 HydrophobicContact CD1-CB 4.19Å; F359-A363 HydrophobicContact CE1-CB 3.45Å; F359-A363 VanDerWaalsContact CE1-CB 3.45Å; F359-A363 HydrophobicContact CZ-CB 4.15Å; F359-V364 HydrophobicContact CD1-CG2 3.58Å; F359-V364 HydrophobicContact CE1-CG2 4.18Å; F359-I367 HydrophobicContact CE1-CD1 3.77Å; F359-I367 HydrophobicContact CZ-CD1 3.76Å; F359-F401 AromaticContact CD2-CD2 3.72Å; F359-F401 HydrophobicContact CD2-CD2 3.72Å; F359-F401 HydrophobicContact CD2-CE2 4.11Å; F359-F401 HydrophobicContact CD2-CG 4.35Å; F359-F401 HydrophobicContact CE2-CB 3.86Å; F359-F401 AromaticContact CE2-CD2 3.63Å; F359-F401 HydrophobicContact CE2-CD2 3.63Å; F359-F401 HydrophobicContact CE2-CE2 4.36Å; F359-F401 AromaticContact CE2-CG 3.8Å; F359-F401 HydrophobicContact CE2-CG 3.8Å
360	P	79.5	Confident	80.2	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.032	25%	0.248	C	C	.	.			trans	-61.3	130.9	-173.5	-27.3	33.3	0	0	0	115.5	V350 R351 L352 E355 T362 A363 V364	V350-P360 HydrophobicContact CG1-CG 3.74Å; R351-P360 WeakPolarHBondContact O-CG 3.3Å; L352-P360 HydrophobicContact CD2-CG 4.44Å; E355-P360 VanDerWaalsContact CD-CA 3.49Å; E355-P360 HydrophobicContact CG-CG 4.48Å; E355-P360 VanDerWaalsContact OE1-CA 3.25Å; E355-P360 WeakPolarHBondContact OE1-CA 3.25Å; P360-T362 PolarHBondContact O-N 3.46Å; P360-T362 VanDerWaalsContact O-N 3.14Å; P360-A363 HydrophobicContact CB-CB 4.22Å; P360-A363 PolarHBondContact O-N 2.91Å; P360-V364 WeakPolarHBondContact O-CG2 3.47Å; P360-V364 PolarHBondContact O-N 2.87Å
361	I	81.9	Confident	80.4	Confident	88 Å²	88	61.3 Å²	61.3	45%	0.451	28%	0.276	S	S	.	.	H	α-helix	trans	-61.9	-26.6	-176.5	-168.6	170.9	0	0	0	112.9	E355 F359 R365	E355-I361 PolarHBondContact OE1-N 3.37Å; F359-I361 PolarHBondContact O-N 2.96Å; I361-R365 WeakPolarHBondContact O-CB 3.2Å; I361-R365 PolarHBondContact O-N 2.64Å; I361-R365 VanDerWaalsContact O-N 3.12Å
362	T	84.1	Confident	80.9	Confident	19 Å²	19	63.4 Å²	63.4	12%	0.117	29%	0.288	C	S	.	.	H	α-helix	trans	-69.6	-45	172.6	49.5	0	0	0	0	111.7	Y330 P360 R365 E366	Y330-T362 HydrophobicContact CD1-CG2 4.42Å; Y330-T362 WeakPolarHBondContact CD1-OG1 3.49Å; Y330-T362 VanDerWaalsContact CE1-CB 3.48Å; Y330-T362 HydrophobicContact CE1-CG2 3.52Å; Y330-T362 WeakPolarHBondContact CE1-OG1 3.44Å; Y330-T362 WeakPolarHBondContact OH-CG2 3.44Å; P360-T362 PolarHBondContact O-N 3.46Å; P360-T362 VanDerWaalsContact O-N 3.14Å; T362-R365 WeakPolarHBondContact O-CB 3.28Å; T362-R365 PolarHBondContact O-N 2.89Å; T362-E366 PolarHBondContact O-N 2.72Å
363	A	86.2	Confident	81.7	Confident	2 Å²	2	62.9 Å²	62.9	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-38.2	175.1	0	0	0	0	0	111.8	V350 F359 P360 R365 E366 I367	V350-A363 HydrophobicContact CG1-CB 4.09Å; V350-A363 HydrophobicContact CG2-CB 4.48Å; F359-A363 HydrophobicContact CD1-CB 4.19Å; F359-A363 HydrophobicContact CE1-CB 3.45Å; F359-A363 VanDerWaalsContact CE1-CB 3.45Å; F359-A363 HydrophobicContact CZ-CB 4.15Å; P360-A363 HydrophobicContact CB-CB 4.22Å; P360-A363 PolarHBondContact O-N 2.91Å; A363-R365 VanDerWaalsContact C-N 3.25Å; A363-R365 PolarHBondContact O-N 3.37Å; A363-E366 PolarHBondContact O-N 3.17Å; A363-I367 WeakPolarHBondContact O-CB 3.33Å; A363-I367 WeakPolarHBondContact O-CD1 3.32Å; A363-I367 WeakPolarHBondContact O-CG1 3.45Å; A363-I367 PolarHBondContact O-N 3.11Å
364	V	86.5	Confident	82.9	Confident	23 Å²	23	62.8 Å²	62.8	14%	0.139	28%	0.279	C	S	.	.	H	α-helix	trans	-57.9	-41	171.2	-175.9	0	0	0	0	111.1	L123 F359 P360 K368	L123-V364 HydrophobicContact CD2-CB 4.31Å; L123-V364 HydrophobicContact CD2-CG1 3.87Å; L123-V364 HydrophobicContact CD2-CG2 3.43Å; L123-V364 VanDerWaalsContact CD2-CG2 3.43Å; F359-V364 HydrophobicContact CD1-CG2 3.58Å; F359-V364 HydrophobicContact CE1-CG2 4.18Å; P360-V364 WeakPolarHBondContact O-CG2 3.47Å; P360-V364 PolarHBondContact O-N 2.87Å; V364-K368 HydrophobicContact CG1-CD 4.25Å; V364-K368 WeakPolarHBondContact O-CB 3.44Å; V364-K368 WeakPolarHBondContact O-CG 3.48Å; V364-K368 PolarHBondContact O-N 3.46Å
365	R	87.6	Confident	84.5	Confident	40 Å²	40	57.4 Å²	57.4	15%	0.151	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-48.3	178.9	-169.4	-174	-48.7	120.7	7.1	111.6	I361 T362 A363 I367 K368 I369 G471 A473	I361-R365 WeakPolarHBondContact O-CB 3.2Å; I361-R365 PolarHBondContact O-N 2.64Å; I361-R365 VanDerWaalsContact O-N 3.12Å; T362-R365 WeakPolarHBondContact O-CB 3.28Å; T362-R365 PolarHBondContact O-N 2.89Å; A363-R365 VanDerWaalsContact C-N 3.25Å; A363-R365 PolarHBondContact O-N 3.37Å; R365-I367 VanDerWaalsContact C-N 3.34Å; R365-I367 PolarHBondContact O-N 3.11Å; R365-K368 PolarHBondContact O-N 3.38Å; R365-K368 VanDerWaalsContact O-N 3.13Å; R365-I369 HydrophobicContact CG-CD1 3.87Å; R365-I369 WeakPolarHBondContact O-CG1 3.4Å; R365-I369 PolarHBondContact O-N 2.76Å; R365-G471 PolarHBondContact NH1-O 2.81Å; R365-A473 WeakPolarHBondContact CD-O 3.39Å
366	E	91.3	Very high	86.1	Confident	3 Å²	3	59 Å²	59	1%	0.014	26%	0.264	C	S	.	.	H	α-helix	trans	-55.6	-47.7	176.4	-171.9	175.6	-170.2	0	0	111.2	K348 T362 A363 K368 I369 L370 F470	K348-E366 IonicContact NZ-OE1 2.72Å; K348-E366 PolarHBondContact NZ-OE1 2.95Å; K348-E366 IonicContact NZ-OE2 3.22Å; K348-E366 PolarHBondContact NZ-OE2 3.48Å; T362-E366 PolarHBondContact O-N 2.72Å; A363-E366 PolarHBondContact O-N 3.17Å; E366-K368 PolarHBondContact O-N 2.99Å; E366-I369 PolarHBondContact O-N 3.15Å; E366-L370 HydrophobicContact CG-CD1 3.81Å; E366-L370 HydrophobicContact CG-CG 4.42Å; E366-L370 WeakPolarHBondContact O-CB 3.48Å; E366-L370 WeakPolarHBondContact O-CG 3.37Å; E366-L370 PolarHBondContact O-N 2.94Å; E366-F470 HydrophobicContact CG-CB 4.36Å
367	I	91.2	Very high	87.7	Confident	21 Å²	21	47.5 Å²	47.5	11%	0.108	22%	0.222	C	C	.	.	H	α-helix	trans	-59.1	-46.9	174.6	-66.1	159.9	0	0	0	111.5	W311 F359 A363 R365 I369 R371 L381 I384 L403	W311-I367 HydrophobicContact CZ3-CG2 4.31Å; F359-I367 HydrophobicContact CE1-CD1 3.77Å; F359-I367 HydrophobicContact CZ-CD1 3.76Å; A363-I367 WeakPolarHBondContact O-CB 3.33Å; A363-I367 WeakPolarHBondContact O-CD1 3.32Å; A363-I367 WeakPolarHBondContact O-CG1 3.45Å; A363-I367 PolarHBondContact O-N 3.11Å; R365-I367 VanDerWaalsContact C-N 3.34Å; R365-I367 PolarHBondContact O-N 3.11Å; I367-I369 VanDerWaalsContact C-N 3.33Å; I367-I369 PolarHBondContact O-N 3.48Å; I367-R371 WeakPolarHBondContact O-CB 3.42Å; I367-R371 VanDerWaalsContact O-CG 3.24Å; I367-R371 WeakPolarHBondContact O-CG 3.49Å; I367-R371 PolarHBondContact O-N 3.23Å; I367-R371 VanDerWaalsContact O-N 3.13Å; I367-L381 HydrophobicContact CB-CD2 4.4Å; I367-L381 HydrophobicContact CG1-CD2 4.22Å; I367-L381 HydrophobicContact CG2-CD2 4.36Å; I367-I384 HydrophobicContact CD1-CD1 3.67Å; I367-I384 HydrophobicContact CG1-CD1 3.91Å; I367-I384 HydrophobicContact CG2-CD1 4.01Å; I367-L403 HydrophobicContact CD1-CD2 3.9Å; I367-L403 HydrophobicContact CG1-CD1 4.34Å; I367-L403 HydrophobicContact CG1-CD2 3.89Å
368	K	91	Very high	89.4	Confident	139 Å²	139	43.8 Å²	43.8	60%	0.604	21%	0.205	S	C	*	.	H	α-helix	trans	-63.6	-37.1	-179.4	-80.2	179.7	176.5	-176.1	0	112.4	V364 R365 E366 Q372	V364-K368 HydrophobicContact CG1-CD 4.25Å; V364-K368 WeakPolarHBondContact O-CB 3.44Å; V364-K368 WeakPolarHBondContact O-CG 3.48Å; V364-K368 PolarHBondContact O-N 3.46Å; R365-K368 PolarHBondContact O-N 3.38Å; R365-K368 VanDerWaalsContact O-N 3.13Å; E366-K368 PolarHBondContact O-N 2.99Å; K368-Q372 PolarHBondContact O-NE2 3.31Å
369	I	93.3	Very high	90.6	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.036	20%	0.202	C	C	.	.	H	α-helix	trans	-77.1	-51.4	-179.4	-66.1	177.3	0	0	0	110.5	R365 E366 I367 R371 Q372 L373 F447 F470 A473	R365-I369 HydrophobicContact CG-CD1 3.87Å; R365-I369 WeakPolarHBondContact O-CG1 3.4Å; R365-I369 PolarHBondContact O-N 2.76Å; E366-I369 PolarHBondContact O-N 3.15Å; I367-I369 VanDerWaalsContact C-N 3.33Å; I367-I369 PolarHBondContact O-N 3.48Å; I369-R371 PolarHBondContact O-N 3.05Å; I369-Q372 WeakPolarHBondContact O-CA 3.45Å; I369-Q372 WeakPolarHBondContact O-CB 3.48Å; I369-Q372 PolarHBondContact O-N 3.37Å; I369-L373 HydrophobicContact CG2-CD1 3.57Å; I369-L373 HydrophobicContact CG2-CG 4.17Å; I369-L373 PolarHBondContact O-N 3.02Å; I369-L373 VanDerWaalsContact O-N 3.16Å; I369-F447 HydrophobicContact CB-CE1 4.43Å; I369-F447 HydrophobicContact CD1-CD1 4.06Å; I369-F447 HydrophobicContact CD1-CE1 4.13Å; I369-F447 HydrophobicContact CG1-CD1 4.04Å; I369-F447 HydrophobicContact CG1-CE1 3.7Å; I369-F447 HydrophobicContact CG1-CZ 4.38Å; I369-F447 HydrophobicContact CG2-CD1 4.01Å; I369-F447 HydrophobicContact CG2-CE1 4.2Å; I369-F447 HydrophobicContact CG2-CG 4.21Å; I369-F470 HydrophobicContact CG2-CB 4.41Å; I369-F470 HydrophobicContact CG2-CD1 3.89Å; I369-F470 HydrophobicContact CG2-CG 4.48Å; I369-A473 HydrophobicContact CD1-CB 3.7Å; I369-A473 WeakPolarHBondContact CD1-O 3.39Å
370	L	94.5	Very high	91.6	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-22.9	-178.3	-68.3	179.4	0	0	0	113.7	E366 Q372 L373 I378 V379 L381 F405 F470	E366-L370 HydrophobicContact CG-CD1 3.81Å; E366-L370 HydrophobicContact CG-CG 4.42Å; E366-L370 WeakPolarHBondContact O-CB 3.48Å; E366-L370 WeakPolarHBondContact O-CG 3.37Å; E366-L370 PolarHBondContact O-N 2.94Å; L370-Q372 PolarHBondContact O-N 3.49Å; L370-L373 PolarHBondContact O-N 3.48Å; L370-I378 HydrophobicContact CD2-CG2 4.14Å; L370-V379 HydrophobicContact CD1-CG1 4.11Å; L370-V379 HydrophobicContact CD2-CG1 4.09Å; L370-L381 HydrophobicContact CB-CB 3.99Å; L370-L381 HydrophobicContact CB-CD2 4.31Å; L370-L381 HydrophobicContact CD1-CB 4.33Å; L370-F405 HydrophobicContact CD1-CE1 3.68Å; L370-F405 HydrophobicContact CD1-CZ 4.34Å; L370-F470 HydrophobicContact CD2-CB 4.23Å; L370-F470 HydrophobicContact CD2-CD1 4.49Å; L370-F470 HydrophobicContact CD2-CD2 3.55Å; L370-F470 HydrophobicContact CD2-CE2 3.98Å; L370-F470 HydrophobicContact CD2-CG 3.84Å; L370-F470 HydrophobicContact CG-CB 4.27Å; L370-F470 HydrophobicContact CG-CD2 4.41Å; L370-F470 HydrophobicContact CG-CG 4.42Å
371	R	91.7	Very high	92.3	Very high	163 Å²	163	46.7 Å²	46.7	62%	0.615	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.3	168.8	-79.9	-178.5	69.2	152.7	2.3	114.3	W311 I367 I369	W311-R371 HydrophobicContact CH2-CG 3.44Å; W311-R371 VanDerWaalsContact CH2-CG 3.44Å; W311-R371 HydrophobicContact CZ3-CG 3.48Å; W311-R371 VanDerWaalsContact CZ3-CG 3.48Å; I367-R371 WeakPolarHBondContact O-CB 3.42Å; I367-R371 VanDerWaalsContact O-CG 3.24Å; I367-R371 WeakPolarHBondContact O-CG 3.49Å; I367-R371 PolarHBondContact O-N 3.23Å; I367-R371 VanDerWaalsContact O-N 3.13Å; I369-R371 PolarHBondContact O-N 3.05Å
372	Q	92	Very high	92.9	Very high	115 Å²	115	44 Å²	44	54%	0.537	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-18.3	178.5	-64.8	171.4	83.6	0	0	112.3	K368 I369 L370 F447	K368-Q372 PolarHBondContact O-NE2 3.31Å; I369-Q372 WeakPolarHBondContact O-CA 3.45Å; I369-Q372 WeakPolarHBondContact O-CB 3.48Å; I369-Q372 PolarHBondContact O-N 3.37Å; L370-Q372 PolarHBondContact O-N 3.49Å; Q372-F447 HydrophobicContact CB-CE2 4.39Å
373	L	94.2	Very high	93.3	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	21%	0.208	C	C	.	.			trans	-100.4	99.9	-178.6	-62.9	-178.9	0	0	0	112.1	I369 L370 I378 F441 R445 F447 F470	I369-L373 HydrophobicContact CG2-CD1 3.57Å; I369-L373 HydrophobicContact CG2-CG 4.17Å; I369-L373 PolarHBondContact O-N 3.02Å; I369-L373 VanDerWaalsContact O-N 3.16Å; L370-L373 PolarHBondContact O-N 3.48Å; L373-I378 HydrophobicContact CB-CD1 4.15Å; L373-I378 HydrophobicContact CB-CG2 4.26Å; L373-I378 HydrophobicContact CD1-CD1 4.42Å; L373-F441 HydrophobicContact CB-CE1 4.44Å; L373-F441 HydrophobicContact CD2-CD1 4.15Å; L373-F441 HydrophobicContact CD2-CE1 3.96Å; L373-R445 HydrophobicContact CD2-CB 4.32Å; L373-F447 HydrophobicContact CD2-CD2 3.9Å; L373-F447 HydrophobicContact CD2-CE2 4.42Å; L373-F447 HydrophobicContact CG-CD2 4.39Å; L373-F470 HydrophobicContact CD1-CD1 3.74Å; L373-F470 HydrophobicContact CD1-CE1 3.31Å; L373-F470 HydrophobicContact CD1-CZ 3.93Å
374	R	94.5	Very high	93.5	Very high	138 Å²	138	44.6 Å²	44.6	52%	0.521	21%	0.208	S	C	.	.			trans	-117.9	95.2	174.8	-71.9	-175.5	168	-158.3	-5.7	111.2	E185 N308 F441	E185-R374 IonicContact OE1-NH1 2.65Å; N308-R374 PolarHBondContact ND2-NH2 3.27Å; R374-F441 WeakPolarHBondContact O-CZ 3.29Å
375	H	97.5	Very high	93.8	Very high	33 Å²	33	43.6 Å²	43.6	15%	0.153	20%	0.202	C	C	.	.			trans	-138.6	145.8	-178.3	-161	-111.8	0	0	0	111.4	N377 I378 D437 F441	H375-N377 PolarHBondContact ND1-N 3.3Å; H375-N377 PolarHBondContact O-N 3.3Å; H375-I378 HydrophobicContact CB-CB 4.04Å; H375-I378 HydrophobicContact CB-CD1 3.64Å; H375-I378 HydrophobicContact CB-CG1 3.8Å; H375-I378 PolarHBondContact O-N 3.09Å; H375-D437 IonicContact CE1-OD2 3.39Å; H375-D437 PolarHBondContact CE1-OD2 2.96Å; H375-D437 IonicContact NE2-OD2 2.68Å; H375-F441 HydrophobicContact CB-CD1 3.82Å; H375-F441 HydrophobicContact CB-CD2 4.12Å; H375-F441 HydrophobicContact CB-CE1 3.89Å; H375-F441 HydrophobicContact CB-CE2 4.15Å; H375-F441 HydrophobicContact CB-CG 3.94Å; H375-F441 HydrophobicContact CB-CZ 4.04Å; H375-F441 AromaticContact CD2-CD2 3.1Å; H375-F441 WeakPolarHBondContact CD2-CD2 3.49Å; H375-F441 AromaticContact CD2-CE2 3.54Å; H375-F441 AromaticContact CD2-CG 3.51Å; H375-F441 AromaticContact CG-CD2 3.76Å; H375-F441 AromaticContact CG-CG 3.71Å; H375-F441 AromaticContact NE2-CD2 3.88Å
376	P	97.6	Very high	93.9	Very high	91 Å²	91	42 Å²	42	59%	0.591	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-39.4	171	17.6	-33.1	0	0	0	112.9	K466	P376-K466 PolarHBondContact O-NZ 3.49Å
377	N	98.4	Very high	93.6	Very high	13 Å²	13	44.4 Å²	44.4	7%	0.07	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	21	-176.2	-54.2	101	0	0	0	115.4	H375 Q434 L465 K466 L467	H375-N377 PolarHBondContact ND1-N 3.3Å; H375-N377 PolarHBondContact O-N 3.3Å; N377-Q434 WeakPolarHBondContact CB-O 3.28Å; N377-Q434 WeakPolarHBondContact ND2-CB 3.45Å; N377-Q434 WeakPolarHBondContact ND2-CG 3.3Å; N377-Q434 PolarHBondContact ND2-OE1 3.15Å; N377-L465 WeakPolarHBondContact CA-O 3.4Å; N377-L465 PolarHBondContact ND2-O 3.13Å; N377-K466 WeakPolarHBondContact O-CA 3.31Å; N377-L467 PolarHBondContact O-N 3.19Å
378	I	98.3	Very high	93.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-119.2	149.2	170.1	-63.2	171.7	0	0	0	109.4	L370 L373 H375 N380 F441 C442 K466 F470	L370-I378 HydrophobicContact CD2-CG2 4.14Å; L373-I378 HydrophobicContact CB-CD1 4.15Å; L373-I378 HydrophobicContact CB-CG2 4.26Å; L373-I378 HydrophobicContact CD1-CD1 4.42Å; H375-I378 HydrophobicContact CB-CB 4.04Å; H375-I378 HydrophobicContact CB-CD1 3.64Å; H375-I378 HydrophobicContact CB-CG1 3.8Å; H375-I378 PolarHBondContact O-N 3.09Å; I378-N380 PolarHBondContact O-N 2.77Å; I378-F441 HydrophobicContact CD1-CD1 3.55Å; I378-F441 HydrophobicContact CD1-CE1 4.07Å; I378-F441 HydrophobicContact CD1-CG 4.42Å; I378-C442 WeakPolarHBondContact CD1-SG 3.3Å; I378-K466 WeakPolarHBondContact O-CD 3.38Å; I378-K466 PolarHBondContact O-NZ 2.97Å; I378-F470 HydrophobicContact CG2-CE2 3.81Å; I378-F470 HydrophobicContact CG2-CZ 3.83Å
379	V	96.8	Very high	92.5	Very high	7 Å²	7	44 Å²	44	4%	0.042	21%	0.213	C	C	.	.			trans	-62.9	127.7	173	72.9	0	0	0	0	111.3	L370 F405 L467 A468 F470	L370-V379 HydrophobicContact CD1-CG1 4.11Å; L370-V379 HydrophobicContact CD2-CG1 4.09Å; V379-F405 HydrophobicContact CG2-CB 3.96Å; V379-F405 HydrophobicContact CG2-CD1 3.75Å; V379-F405 HydrophobicContact CG2-CE1 4.5Å; V379-F405 HydrophobicContact CG2-CG 4.01Å; V379-L467 PolarHBondContact N-O 3.19Å; V379-A468 HydrophobicContact CB-CB 3.99Å; V379-A468 HydrophobicContact CG1-CB 4Å; V379-A468 HydrophobicContact CG2-CB 4.48Å; V379-F470 HydrophobicContact CG1-CD2 4.41Å; V379-F470 HydrophobicContact CG1-CE2 4.46Å
380	N	95.2	Very high	91.6	Very high	58 Å²	58	47.3 Å²	47.3	31%	0.31	23%	0.231	S	C	.	.			trans	-95.6	113.3	-174.5	172.8	43.8	0	0	0	110.1	I378 C382 F405 D406	I378-N380 PolarHBondContact O-N 2.77Å; N380-C382 PolarHBondContact O-N 3.26Å; N380-C382 VanDerWaalsContact O-N 3.13Å; N380-F405 WeakPolarHBondContact O-CA 3.44Å; N380-D406 WeakPolarHBondContact CB-OD2 3.32Å; N380-D406 PolarHBondContact ND2-OD2 3.01Å
381	L	95.1	Very high	90.4	Very high	10 Å²	10	51 Å²	51	5%	0.052	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	97.3	171	179.6	58.8	0	0	0	108.9	W311 I367 L370 E383 L403 F405	W311-L381 HydrophobicContact CH2-CB 4.3Å; W311-L381 HydrophobicContact CH2-CD2 3.65Å; W311-L381 HydrophobicContact CH2-CG 3.64Å; W311-L381 HydrophobicContact CZ2-CG 4.32Å; W311-L381 VanDerWaalsContact CZ2-O 3.3Å; W311-L381 WeakPolarHBondContact CZ2-O 3.32Å; W311-L381 HydrophobicContact CZ3-CD2 3.69Å; W311-L381 HydrophobicContact CZ3-CG 4.06Å; I367-L381 HydrophobicContact CB-CD2 4.4Å; I367-L381 HydrophobicContact CG1-CD2 4.22Å; I367-L381 HydrophobicContact CG2-CD2 4.36Å; L370-L381 HydrophobicContact CB-CB 3.99Å; L370-L381 HydrophobicContact CB-CD2 4.31Å; L370-L381 HydrophobicContact CD1-CB 4.33Å; L381-E383 WeakPolarHBondContact CD1-O 3.34Å; L381-L403 HydrophobicContact CD1-CB 3.89Å; L381-F405 HydrophobicContact CB-CD1 4.19Å; L381-F405 HydrophobicContact CB-CE1 3.92Å; L381-F405 HydrophobicContact CD1-CD1 4.16Å; L381-F405 HydrophobicContact CD1-CE1 3.69Å; L381-F405 HydrophobicContact CD1-CZ 4.07Å; L381-F405 HydrophobicContact CG-CE1 4.35Å
382	C	93.2	Very high	89.4	Confident	33 Å²	33	47.1 Å²	47.1	22%	0.223	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-50.2	-176.8	-54.8	0	0	0	0	111.4	W311 N380 V404	W311-C382 PolarHBondContact NE1-O 3.46Å; N380-C382 PolarHBondContact O-N 3.26Å; N380-C382 VanDerWaalsContact O-N 3.13Å; C382-V404 HydrophobicContact CB-CG1 4.45Å; C382-V404 WeakPolarHBondContact CB-O 3.46Å; C382-V404 PolarHBondContact N-O 3Å
383	E	92.8	Very high	88.6	Confident	28 Å²	28	43.9 Å²	43.9	13%	0.131	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	178.7	179.8	64	179.3	130.7	0	0	112.4	W311 R314 L381 V385 V404	W311-E383 HydrophobicContact CG-CB 4.36Å; R314-E383 WeakPolarHBondContact CD-OE1 3.24Å; R314-E383 WeakPolarHBondContact CD-OE2 3.42Å; R314-E383 IonicContact CZ-OE1 2.6Å; R314-E383 IonicContact NE-OE1 3.85Å; R314-E383 IonicContact NH1-OE1 3.91Å; R314-E383 PolarHBondContact NH1-OE1 3.11Å; L381-E383 WeakPolarHBondContact CD1-O 3.34Å; E383-V385 HydrophobicContact CG-CG1 4.08Å; E383-V404 HydrophobicContact CG-CB 3.75Å; E383-V404 HydrophobicContact CG-CG1 4.24Å; E383-V404 HydrophobicContact CG-CG2 3.72Å; E383-V404 PolarHBondContact N-O 2.89Å; E383-V404 WeakPolarHBondContact O-CB 3.33Å; E383-V404 PolarHBondContact O-N 3.47Å
384	I	91.7	Very high	87.5	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.4	171	-55.3	176	0	0	0	106.8	L119 W311 G312 I367 F402 L403	L119-I384 HydrophobicContact CD2-CD1 4.49Å; W311-I384 HydrophobicContact CE3-CD1 3.88Å; W311-I384 HydrophobicContact CE3-CG1 3.93Å; W311-I384 HydrophobicContact CZ3-CD1 4.23Å; W311-I384 HydrophobicContact CZ3-CG1 4.35Å; G312-I384 VanDerWaalsContact CA-O 3.28Å; G312-I384 WeakPolarHBondContact CA-O 3.35Å; G312-I384 PolarHBondContact N-O 3.09Å; I367-I384 HydrophobicContact CD1-CD1 3.67Å; I367-I384 HydrophobicContact CG1-CD1 3.91Å; I367-I384 HydrophobicContact CG2-CD1 4.01Å; I384-F402 WeakPolarHBondContact CA-O 3.36Å; I384-L403 HydrophobicContact CD1-CD2 4.16Å; I384-L403 HydrophobicContact CG1-CD2 3.9Å; I384-L403 HydrophobicContact CG2-CD2 4.21Å
385	V	92.2	Very high	86.4	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	167.1	177.7	-59.1	0	0	0	0	111.4	R314 V316 F319 E383 F401 F402 V404	R314-V385 HydrophobicContact CB-CG1 3.64Å; R314-V385 WeakPolarHBondContact O-CA 3.43Å; R314-V385 WeakPolarHBondContact O-CB 3.47Å; R314-V385 VanDerWaalsContact O-CG1 3.31Å; R314-V385 WeakPolarHBondContact O-CG1 3.47Å; V316-V385 HydrophobicContact CB-CG2 4.4Å; F319-V385 HydrophobicContact CE2-CG1 4.02Å; F319-V385 HydrophobicContact CE2-CG2 4.24Å; E383-V385 HydrophobicContact CG-CG1 4.08Å; V385-F401 CarbonylContact O-C 3.53Å; V385-F401 WeakPolarHBondContact O-CA 3.46Å; V385-F402 HydrophobicContact CG2-CB 3.85Å; V385-F402 HydrophobicContact CG2-CD2 4.48Å; V385-F402 PolarHBondContact N-O 2.94Å; V385-F402 PolarHBondContact O-N 2.79Å; V385-V404 HydrophobicContact CB-CG2 4.45Å; V385-V404 HydrophobicContact CG1-CG2 4.01Å; V385-V404 HydrophobicContact CG2-CG2 3.76Å
386	T	88.5	Confident	85.1	Confident	8 Å²	8	55 Å²	55	5%	0.049	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	162	-179.5	176.4	0	0	0	0	111.4	S315 V316 K388 F394 A400	S315-T386 CarbonylContact C-O 3.57Å; S315-T386 VanDerWaalsContact CA-O 3.24Å; S315-T386 WeakPolarHBondContact CA-O 3.26Å; S315-T386 PolarHBondContact OG-O 3.34Å; V316-T386 PolarHBondContact N-O 3.48Å; T386-K388 VanDerWaalsContact C-N 3.26Å; T386-K388 WeakPolarHBondContact CG2-O 3.32Å; T386-K388 PolarHBondContact OG1-N 2.83Å; T386-F394 HydrophobicContact CG2-CE2 4.44Å; T386-F394 HydrophobicContact CG2-CZ 4.03Å; T386-F394 VanDerWaalsContact OG1-CZ 3.32Å; T386-F394 WeakPolarHBondContact OG1-CZ 3.39Å; T386-A400 WeakPolarHBondContact CA-O 3.45Å; T386-A400 PolarHBondContact OG1-O 3.46Å; T386-A400 VanDerWaalsContact OG1-O 3.1Å
387	D	86.9	Confident	84.1	Confident	53 Å²	53	54.6 Å²	54.6	28%	0.283	28%	0.28	S	S	.	.	S	Bend	trans	-76	-7.4	169.8	72.2	-34.7	0	0	0	114.4	V316 G399 A400 F402	V316-D387 HydrophobicContact CG1-CB 4.25Å; D387-G399 WeakPolarHBondContact OD1-CA 3.32Å; D387-A400 VanDerWaalsContact CG-N 3.35Å; D387-A400 PolarHBondContact N-O 3.44Å; D387-A400 VanDerWaalsContact N-O 3.1Å; D387-A400 PolarHBondContact OD1-N 3.31Å; D387-F402 HydrophobicContact CB-CE2 4.37Å
388	K	81.6	Confident	82.8	Confident	36 Å²	36	59.3 Å²	59.3	16%	0.157	30%	0.3	C	S	.	.			trans	-99.5	121	179.7	-52.6	-45.7	-176.4	-147.9	0	111.9	T386 D393 F394 D397 G399	T386-K388 VanDerWaalsContact C-N 3.26Å; T386-K388 WeakPolarHBondContact CG2-O 3.32Å; T386-K388 PolarHBondContact OG1-N 2.83Å; K388-D393 HydrophobicContact CB-CB 4.44Å; K388-D393 HydrophobicContact CD-CB 4.33Å; K388-D393 HydrophobicContact CG-CB 4.33Å; K388-F394 HydrophobicContact CB-CE2 4.13Å; K388-F394 HydrophobicContact CB-CZ 4.31Å; K388-F394 HydrophobicContact CG-CE1 4.43Å; K388-F394 HydrophobicContact CG-CE2 4.43Å; K388-F394 HydrophobicContact CG-CZ 4.31Å; K388-D397 VanDerWaalsContact CE-OD2 3.29Å; K388-D397 WeakPolarHBondContact CE-OD2 3.44Å; K388-D397 IonicContact NZ-OD2 2.7Å; K388-D397 PolarHBondContact NZ-OD2 3.19Å; K388-G399 VanDerWaalsContact CE-CA 3.48Å
389	D	77.3	Confident	81.9	Confident	116 Å²	116	60 Å²	60	62%	0.62	31%	0.307	S	S	*	.	S	Bend	trans	-73.2	-28.2	173.8	-61.8	-34.8	0	0	0	112.5	S315 T317	S315-D389 WeakPolarHBondContact CB-OD1 3.29Å; S315-D389 PolarHBondContact OG-OD1 3.01Å; T317-D389 PolarHBondContact OG1-OD1 2.98Å
390	D	74	Confident	81.3	Confident	76 Å²	76	60 Å²	60	41%	0.406	31%	0.308	S	S	.	.	S	Bend	trans	-113.6	123.5	179.4	-168.3	-51.6	0	0	0	111.7	T392 D393	D390-T392 VanDerWaalsContact CG-OG1 3.3Å; D390-T392 PolarHBondContact O-N 2.68Å; D390-T392 VanDerWaalsContact OD1-CB 3.27Å; D390-T392 WeakPolarHBondContact OD1-CB 3.16Å; D390-T392 WeakPolarHBondContact OD1-CG2 3.38Å; D390-T392 PolarHBondContact OD1-N 2.67Å; D390-T392 PolarHBondContact OD1-OG1 2.72Å; D390-D393 PolarHBondContact O-N 3.34Å
391	P	68.4	Low	81	Confident	83 Å²	83	57.7 Å²	57.7	54%	0.539	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.2	176.8	-27.5	36.1	0	0	0	116.2
392	T	72.2	Confident	80.9	Confident	81 Å²	81	58.3 Å²	58.3	50%	0.497	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-20.1	175.3	64.6	0	0	0	0	113.6	D390 F394 K395	D390-T392 VanDerWaalsContact CG-OG1 3.3Å; D390-T392 PolarHBondContact O-N 2.68Å; D390-T392 VanDerWaalsContact OD1-CB 3.27Å; D390-T392 WeakPolarHBondContact OD1-CB 3.16Å; D390-T392 WeakPolarHBondContact OD1-CG2 3.38Å; D390-T392 PolarHBondContact OD1-N 2.67Å; D390-T392 PolarHBondContact OD1-OG1 2.72Å; T392-F394 VanDerWaalsContact C-N 3.26Å; T392-F394 PolarHBondContact O-N 3.02Å; T392-K395 WeakPolarHBondContact O-CB 3.3Å; T392-K395 PolarHBondContact O-N 2.98Å
393	D	75	Confident	80.8	Confident	48 Å²	48	56.8 Å²	56.8	26%	0.257	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-70.5	-21.6	178.8	-78.1	-36	0	0	0	113.3	K388 D390 K395 K396 D397	K388-D393 HydrophobicContact CB-CB 4.44Å; K388-D393 HydrophobicContact CD-CB 4.33Å; K388-D393 HydrophobicContact CG-CB 4.33Å; D390-D393 PolarHBondContact O-N 3.34Å; D393-K395 PolarHBondContact O-N 3.05Å; D393-K396 PolarHBondContact O-N 3.24Å; D393-K396 WeakPolarHBondContact OD1-CD 3.33Å; D393-K396 WeakPolarHBondContact OD1-CE 3.41Å; D393-K396 IonicContact OD1-NZ 3.85Å; D393-K396 PolarHBondContact OD1-NZ 3.25Å; D393-D397 PolarHBondContact O-N 3.43Å
394	F	70.7	Confident	81	Confident	45 Å²	45	55.5 Å²	55.5	20%	0.197	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-56.9	-11.7	168.7	-72.8	-75.8	0	0	0	114.4	S118 T386 K388 T392 D397 K398 F401	S118-F394 WeakPolarHBondContact OG-CD1 3.48Å; S118-F394 VanDerWaalsContact OG-CD2 3.24Å; S118-F394 WeakPolarHBondContact OG-CD2 3.44Å; S118-F394 WeakPolarHBondContact OG-CE2 3.41Å; S118-F394 VanDerWaalsContact OG-CG 3.26Å; S118-F394 WeakPolarHBondContact OG-CG 3.33Å; T386-F394 HydrophobicContact CG2-CE2 4.44Å; T386-F394 HydrophobicContact CG2-CZ 4.03Å; T386-F394 VanDerWaalsContact OG1-CZ 3.32Å; T386-F394 WeakPolarHBondContact OG1-CZ 3.39Å; K388-F394 HydrophobicContact CB-CE2 4.13Å; K388-F394 HydrophobicContact CB-CZ 4.31Å; K388-F394 HydrophobicContact CG-CE1 4.43Å; K388-F394 HydrophobicContact CG-CE2 4.43Å; K388-F394 HydrophobicContact CG-CZ 4.31Å; T392-F394 VanDerWaalsContact C-N 3.26Å; T392-F394 PolarHBondContact O-N 3.02Å; F394-D397 CarbonylContact C-O 3.57Å; F394-D397 VanDerWaalsContact CA-O 3.27Å; F394-D397 WeakPolarHBondContact CA-O 3.36Å; F394-K398 WeakPolarHBondContact CD1-O 3.29Å; F394-K398 WeakPolarHBondContact CE1-O 3.45Å; F394-F401 HydrophobicContact CD1-CZ 4.46Å; F394-F401 AromaticContact CE1-CE1 3.99Å; F394-F401 HydrophobicContact CE1-CE1 3.99Å; F394-F401 HydrophobicContact CE1-CE2 4.19Å; F394-F401 AromaticContact CE1-CZ 3.49Å; F394-F401 HydrophobicContact CE1-CZ 3.49Å; F394-F401 VanDerWaalsContact CE1-CZ 3.49Å; F394-F401 AromaticContact CZ-CE1 3.88Å; F394-F401 HydrophobicContact CZ-CE1 3.88Å; F394-F401 AromaticContact CZ-CZ 3.84Å; F394-F401 HydrophobicContact CZ-CZ 3.84Å
395	K	70.2	Confident	81.2	Confident	192 Å²	192	55.9 Å²	55.9	84%	0.835	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-84.7	-15.6	172.2	-64.3	-173.3	175	-173.5	0	114.1	T392 D393	T392-K395 WeakPolarHBondContact O-CB 3.3Å; T392-K395 PolarHBondContact O-N 2.98Å; D393-K395 PolarHBondContact O-N 3.05Å
396	K	72.2	Confident	81.4	Confident	171 Å²	171	57.9 Å²	57.9	74%	0.743	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-41.4	-177.3	-55.6	170.3	-171.5	162	0	111.2	D393	D393-K396 PolarHBondContact O-N 3.24Å; D393-K396 WeakPolarHBondContact OD1-CD 3.33Å; D393-K396 WeakPolarHBondContact OD1-CE 3.41Å; D393-K396 IonicContact OD1-NZ 3.85Å; D393-K396 PolarHBondContact OD1-NZ 3.25Å
397	D	74.7	Confident	81.8	Confident	82 Å²	82	58.6 Å²	58.6	44%	0.439	30%	0.295	S	S	.	.			trans	-141.1	142	-176.7	171.4	16.2	0	0	0	108.1	K388 D393 F394 G399	K388-D397 VanDerWaalsContact CE-OD2 3.29Å; K388-D397 WeakPolarHBondContact CE-OD2 3.44Å; K388-D397 IonicContact NZ-OD2 2.7Å; K388-D397 PolarHBondContact NZ-OD2 3.19Å; D393-D397 PolarHBondContact O-N 3.43Å; F394-D397 CarbonylContact C-O 3.57Å; F394-D397 VanDerWaalsContact CA-O 3.27Å; F394-D397 WeakPolarHBondContact CA-O 3.36Å; D397-G399 PolarHBondContact O-N 2.91Å; D397-G399 PolarHBondContact OD1-N 2.73Å
398	K	73.1	Confident	82.3	Confident	112 Å²	112	56.4 Å²	56.4	49%	0.487	28%	0.284	S	S	.	.			trans	-62.5	-28.4	175.5	-64.1	-174.9	-177.1	-179.9	0	112	L352 F394	L352-K398 HydrophobicContact CD1-CB 4.37Å; F394-K398 WeakPolarHBondContact CD1-O 3.29Å; F394-K398 WeakPolarHBondContact CE1-O 3.45Å
399	G	78.2	Confident	83	Confident	14 Å²	14	56.1 Å²	56.1	14%	0.144	28%	0.284	C	S	.	.			trans	67.1	-165.9	-171.9	0	0	0	0	0	113.4	L352 D387 K388 D397	L352-G399 WeakPolarHBondContact CD1-O 3.48Å; D387-G399 WeakPolarHBondContact OD1-CA 3.32Å; K388-G399 VanDerWaalsContact CE-CA 3.48Å; D397-G399 PolarHBondContact O-N 2.91Å; D397-G399 PolarHBondContact OD1-N 2.73Å
400	A	84.9	Confident	84	Confident	9 Å²	9	50.6 Å²	50.6	7%	0.074	25%	0.254	C	S	.	.			trans	-125.5	145.1	174.9	0	0	0	0	0	110.3	K349 T386 D387 F402	K349-A400 HydrophobicContact CG-CB 4.4Å; T386-A400 WeakPolarHBondContact CA-O 3.45Å; T386-A400 PolarHBondContact OG1-O 3.46Å; T386-A400 VanDerWaalsContact OG1-O 3.1Å; D387-A400 VanDerWaalsContact CG-N 3.35Å; D387-A400 PolarHBondContact N-O 3.44Å; D387-A400 VanDerWaalsContact N-O 3.1Å; D387-A400 PolarHBondContact OD1-N 3.31Å; A400-F402 HydrophobicContact CB-CE2 3.92Å; A400-F402 HydrophobicContact CB-CZ 4.24Å
401	F	88	Confident	85.1	Confident	9 Å²	9	47.5 Å²	47.5	4%	0.039	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.2	168.6	-64.9	-77.1	0	0	0	109.9	L119 V350 L352 F359 V385 F394	L119-F401 HydrophobicContact CD1-CE1 4.47Å; L119-F401 HydrophobicContact CD1-CZ 4.45Å; V350-F401 HydrophobicContact CB-CB 4.47Å; V350-F401 HydrophobicContact CG2-CB 4.42Å; V350-F401 PolarHBondContact N-O 2.69Å; L352-F401 HydrophobicContact CD1-CD2 4.02Å; L352-F401 HydrophobicContact CD1-CE2 4.26Å; F359-F401 AromaticContact CD2-CD2 3.72Å; F359-F401 HydrophobicContact CD2-CD2 3.72Å; F359-F401 HydrophobicContact CD2-CE2 4.11Å; F359-F401 HydrophobicContact CD2-CG 4.35Å; F359-F401 HydrophobicContact CE2-CB 3.86Å; F359-F401 AromaticContact CE2-CD2 3.63Å; F359-F401 HydrophobicContact CE2-CD2 3.63Å; F359-F401 HydrophobicContact CE2-CE2 4.36Å; F359-F401 AromaticContact CE2-CG 3.8Å; F359-F401 HydrophobicContact CE2-CG 3.8Å; V385-F401 CarbonylContact O-C 3.53Å; V385-F401 WeakPolarHBondContact O-CA 3.46Å; F394-F401 HydrophobicContact CD1-CZ 4.46Å; F394-F401 AromaticContact CE1-CE1 3.99Å; F394-F401 HydrophobicContact CE1-CE1 3.99Å; F394-F401 HydrophobicContact CE1-CE2 4.19Å; F394-F401 AromaticContact CE1-CZ 3.49Å; F394-F401 HydrophobicContact CE1-CZ 3.49Å; F394-F401 VanDerWaalsContact CE1-CZ 3.49Å; F394-F401 AromaticContact CZ-CE1 3.88Å; F394-F401 HydrophobicContact CZ-CE1 3.88Å; F394-F401 AromaticContact CZ-CZ 3.84Å; F394-F401 HydrophobicContact CZ-CZ 3.84Å
402	F	92.5	Very high	86.4	Confident	22 Å²	22	43.6 Å²	43.6	10%	0.096	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.9	177.1	-57.1	-102.4	0	0	0	108.8	V316 L347 K348 K349 I384 V385 D387 A400	V316-F402 HydrophobicContact CB-CD2 4.14Å; V316-F402 HydrophobicContact CB-CE2 4.04Å; V316-F402 HydrophobicContact CG1-CE2 4.24Å; V316-F402 HydrophobicContact CG2-CD1 4.48Å; V316-F402 HydrophobicContact CG2-CD2 3.98Å; V316-F402 HydrophobicContact CG2-CE1 4.4Å; V316-F402 HydrophobicContact CG2-CE2 3.92Å; V316-F402 HydrophobicContact CG2-CG 4.28Å; V316-F402 HydrophobicContact CG2-CZ 4.13Å; L347-F402 HydrophobicContact CB-CD1 4.19Å; K348-F402 WeakPolarHBondContact O-CA 3.49Å; K349-F402 HydrophobicContact CB-CD1 3.71Å; K349-F402 HydrophobicContact CB-CE1 3.62Å; K349-F402 HydrophobicContact CB-CZ 4.48Å; K349-F402 HydrophobicContact CD-CE1 4.21Å; K349-F402 HydrophobicContact CD-CZ 4.38Å; K349-F402 HydrophobicContact CG-CD1 4.07Å; K349-F402 HydrophobicContact CG-CE1 3.66Å; K349-F402 HydrophobicContact CG-CZ 4.04Å; I384-F402 WeakPolarHBondContact CA-O 3.36Å; V385-F402 HydrophobicContact CG2-CB 3.85Å; V385-F402 HydrophobicContact CG2-CD2 4.48Å; V385-F402 PolarHBondContact N-O 2.94Å; V385-F402 PolarHBondContact O-N 2.79Å; D387-F402 HydrophobicContact CB-CE2 4.37Å; A400-F402 HydrophobicContact CB-CE2 3.92Å; A400-F402 HydrophobicContact CB-CZ 4.24Å
403	L	93	Very high	87.6	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.1	168.2	-49.9	-174.6	0	0	0	107.9	K348 V350 I367 L381 I384 F405	K348-L403 HydrophobicContact CB-CB 4.3Å; K348-L403 HydrophobicContact CD-CD1 4.48Å; K348-L403 PolarHBondContact N-O 3.33Å; K348-L403 PolarHBondContact O-N 3.26Å; V350-L403 HydrophobicContact CG2-CD2 4.33Å; V350-L403 HydrophobicContact CG2-CG 4.08Å; I367-L403 HydrophobicContact CD1-CD2 3.9Å; I367-L403 HydrophobicContact CG1-CD1 4.34Å; I367-L403 HydrophobicContact CG1-CD2 3.89Å; L381-L403 HydrophobicContact CD1-CB 3.89Å; I384-L403 HydrophobicContact CD1-CD2 4.16Å; I384-L403 HydrophobicContact CG1-CD2 3.9Å; I384-L403 HydrophobicContact CG2-CD2 4.21Å; L403-F405 HydrophobicContact CB-CD2 4.48Å; L403-F405 HydrophobicContact CB-CE2 3.59Å; L403-F405 HydrophobicContact CB-CZ 3.67Å; L403-F405 HydrophobicContact CD1-CZ 4.12Å
404	V	95.4	Very high	88.5	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.7	-176	-172	0	0	0	0	109.3	F319 K345 L347 C382 E383 V385	F319-V404 HydrophobicContact CE1-CG1 4.14Å; F319-V404 HydrophobicContact CE2-CG2 4.34Å; F319-V404 HydrophobicContact CZ-CG1 3.9Å; F319-V404 HydrophobicContact CZ-CG2 4.26Å; K345-V404 HydrophobicContact CB-CG1 3.95Å; K345-V404 HydrophobicContact CG-CG1 4.12Å; L347-V404 HydrophobicContact CD2-CB 4.25Å; L347-V404 HydrophobicContact CD2-CG1 4.03Å; L347-V404 HydrophobicContact CD2-CG2 3.73Å; C382-V404 HydrophobicContact CB-CG1 4.45Å; C382-V404 WeakPolarHBondContact CB-O 3.46Å; C382-V404 PolarHBondContact N-O 3Å; E383-V404 HydrophobicContact CG-CB 3.75Å; E383-V404 HydrophobicContact CG-CG1 4.24Å; E383-V404 HydrophobicContact CG-CG2 3.72Å; E383-V404 PolarHBondContact N-O 2.89Å; E383-V404 WeakPolarHBondContact O-CB 3.33Å; E383-V404 PolarHBondContact O-N 3.47Å; V385-V404 HydrophobicContact CB-CG2 4.45Å; V385-V404 HydrophobicContact CG1-CG2 4.01Å; V385-V404 HydrophobicContact CG2-CG2 3.76Å
405	F	96.4	Very high	89.7	Confident	14 Å²	14	37 Å²	37	6%	0.061	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	159.8	177.7	-52.1	-82.3	0	0	0	111.5	K345 A346 K348 L370 V379 N380 L381 L403 Y407	K345-F405 CarbonylContact C-O 3.58Å; K345-F405 VanDerWaalsContact CA-O 3.24Å; K345-F405 WeakPolarHBondContact CA-O 3.45Å; K345-F405 VanDerWaalsContact CB-O 3.32Å; K345-F405 WeakPolarHBondContact CB-O 3.28Å; K345-F405 WeakPolarHBondContact CD-O 3.42Å; A346-F405 HydrophobicContact CB-CB 4.34Å; A346-F405 PolarHBondContact N-O 2.78Å; A346-F405 PolarHBondContact O-N 2.94Å; K348-F405 HydrophobicContact CB-CD2 4.45Å; K348-F405 HydrophobicContact CB-CE2 3.78Å; K348-F405 HydrophobicContact CD-CE2 4.03Å; K348-F405 HydrophobicContact CD-CZ 4.45Å; L370-F405 HydrophobicContact CD1-CE1 3.68Å; L370-F405 HydrophobicContact CD1-CZ 4.34Å; V379-F405 HydrophobicContact CG2-CB 3.96Å; V379-F405 HydrophobicContact CG2-CD1 3.75Å; V379-F405 HydrophobicContact CG2-CE1 4.5Å; V379-F405 HydrophobicContact CG2-CG 4.01Å; N380-F405 WeakPolarHBondContact O-CA 3.44Å; L381-F405 HydrophobicContact CB-CD1 4.19Å; L381-F405 HydrophobicContact CB-CE1 3.92Å; L381-F405 HydrophobicContact CD1-CD1 4.16Å; L381-F405 HydrophobicContact CD1-CE1 3.69Å; L381-F405 HydrophobicContact CD1-CZ 4.07Å; L381-F405 HydrophobicContact CG-CE1 4.35Å; L403-F405 HydrophobicContact CB-CD2 4.48Å; L403-F405 HydrophobicContact CB-CE2 3.59Å; L403-F405 HydrophobicContact CB-CZ 3.67Å; L403-F405 HydrophobicContact CD1-CZ 4.12Å; F405-Y407 PolarHBondContact O-N 3.06Å
406	D	96.2	Very high	90.9	Very high	43 Å²	43	28.3 Å²	28.3	23%	0.23	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	133.6	163.9	-67.8	-50.4	0	0	0	110.2	K345 N380	K345-D406 IonicContact NZ-OD1 3.56Å; K345-D406 PolarHBondContact NZ-OD1 3.46Å; N380-D406 WeakPolarHBondContact CB-OD2 3.32Å; N380-D406 PolarHBondContact ND2-OD2 3.01Å
407	Y	97.1	Very high	91.8	Very high	22 Å²	22	23.3 Å²	23.3	9%	0.086	12%	0.116	C	C	.	.			trans	-75.1	147.7	179.8	-174	-107.5	0	0	0	111.9	V325 K335 Y344 A346 F405 D409 D631 H633	V325-Y407 HydrophobicContact CG1-CE2 4.32Å; V325-Y407 HydrophobicContact CG2-CE2 4.42Å; K335-Y407 HydrophobicContact CB-CD2 4.28Å; K335-Y407 HydrophobicContact CB-CE2 3.9Å; K335-Y407 HydrophobicContact CD-CD1 4.32Å; K335-Y407 HydrophobicContact CD-CE1 3.67Å; K335-Y407 HydrophobicContact CD-CE2 3.99Å; K335-Y407 HydrophobicContact CG-CD1 4.35Å; K335-Y407 HydrophobicContact CG-CD2 4.02Å; K335-Y407 HydrophobicContact CG-CE1 4.12Å; K335-Y407 HydrophobicContact CG-CE2 3.82Å; K335-Y407 HydrophobicContact CG-CG 4.32Å; Y344-Y407 WeakPolarHBondContact O-CB 3.49Å; A346-Y407 HydrophobicContact CB-CD2 4.23Å; F405-Y407 PolarHBondContact O-N 3.06Å; Y407-D409 HydrophobicContact CE1-CB 4.37Å; Y407-D631 PolarHBondContact OH-OD1 3.32Å; Y407-H633 AromaticContact CE2-NE2 3.89Å; Y407-H633 AromaticContact CZ-NE2 3.71Å; Y407-H633 PolarHBondContact OH-NE2 3.39Å
408	M	97.4	Very high	92.6	Very high	7 Å²	7	19.8 Å²	19.8	3%	0.034	10%	0.097	C	C	.	.			trans	-134.9	130.5	176.4	-60.1	-68.1	-75	0	0	107.2	H410 L458 N460 Q464 K466 H633	M408-H410 VanDerWaalsContact C-N 3.31Å; M408-H410 PolarHBondContact O-N 3.13Å; M408-L458 HydrophobicContact CB-CB 3.74Å; M408-L458 HydrophobicContact CB-CD1 4.27Å; M408-L458 HydrophobicContact CE-CB 4.38Å; M408-L458 HydrophobicContact CG-CB 3.82Å; M408-L458 HydrophobicContact CG-CD1 4.11Å; M408-N460 HydrophobicContact CE-CB 3.85Å; M408-N460 HydrophobicContact SD-CB 3.95Å; M408-Q464 WeakPolarHBondContact CE-O 3.4Å; M408-K466 HydrophobicContact CE-CB 4.05Å; M408-K466 HydrophobicContact CE-CD 4.1Å; M408-K466 HydrophobicContact CE-CG 3.9Å; M408-K466 HydrophobicContact CG-CD 4.32Å; M408-K466 HydrophobicContact SD-CD 3.76Å; M408-K466 HydrophobicContact SD-CG 4.26Å; M408-H633 PolarHBondContact O-CE1 3.03Å; M408-H633 PolarHBondContact O-NE2 2.75Å
409	D	96.4	Very high	93.2	Very high	31 Å²	31	17.1 Å²	17.1	17%	0.166	10%	0.102	C	C	.	.	S	Bend	trans	-73.1	-20.7	-164.5	-44.4	-74.3	0	0	0	114.1	Y407 I459 N460 N461 D631 C632	Y407-D409 HydrophobicContact CE1-CB 4.37Å; D409-I459 PolarHBondContact N-O 2.98Å; D409-N460 VanDerWaalsContact OD2-CA 3.26Å; D409-N460 WeakPolarHBondContact OD2-CA 3.28Å; D409-N460 VanDerWaalsContact OD2-CB 3.3Å; D409-N460 WeakPolarHBondContact OD2-CB 3.18Å; D409-N461 VanDerWaalsContact CB-ND2 3.35Å; D409-N461 WeakPolarHBondContact CB-ND2 3.24Å; D409-N461 PolarHBondContact OD2-N 3.23Å; D409-N461 PolarHBondContact OD2-ND2 3.14Å; D409-D631 CarbonylContact O-C 3.58Å; D409-D631 WeakPolarHBondContact O-CA 3.47Å; D409-D631 WeakPolarHBondContact O-CB 3.48Å; D409-C632 PolarHBondContact O-N 3.26Å; D409-C632 VanDerWaalsContact O-N 3.16Å
410	H	97.2	Very high	93.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	166.7	-178.7	-35	-86.8	0	0	0	111.5	M408 I415 I459 N461 C632	M408-H410 VanDerWaalsContact C-N 3.31Å; M408-H410 PolarHBondContact O-N 3.13Å; H410-I415 HydrophobicContact CB-CD1 3.63Å; H410-I415 HydrophobicContact CB-CG1 3.64Å; H410-I459 PolarHBondContact N-O 3.43Å; H410-I459 PolarHBondContact O-N 3.02Å; H410-I459 VanDerWaalsContact O-O 3.13Å; H410-N461 PolarHBondContact NE2-OD1 3.21Å; H410-C632 WeakPolarHBondContact CA-O 3.37Å; H410-C632 HydrophobicContact CB-CB 4.08Å; H410-C632 WeakPolarHBondContact CB-O 3.42Å; H410-C632 WeakPolarHBondContact ND1-CB 3.38Å; H410-C632 PolarHBondContact ND1-N 2.84Å; H410-C632 VanDerWaalsContact ND1-N 3.13Å
411	D	97.2	Very high	93.9	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.053	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	156.9	157.1	57.7	70.6	0	0	0	110.4	Y413 G414 I415 I457 L458 C632 H633 E634	D411-Y413 VanDerWaalsContact C-N 3.27Å; D411-Y413 PolarHBondContact O-N 2.86Å; D411-G414 PolarHBondContact O-N 3.14Å; D411-G414 VanDerWaalsContact O-N 3.09Å; D411-G414 PolarHBondContact OD1-N 3.38Å; D411-I415 PolarHBondContact O-N 2.85Å; D411-I457 CarbonylContact C-O 3.46Å; D411-I457 WeakPolarHBondContact CA-O 3.29Å; D411-L458 HydrophobicContact CB-CD2 3.92Å; D411-C632 PolarHBondContact N-O 3.07Å; D411-H633 WeakPolarHBondContact OD2-CA 3.07Å; D411-H633 WeakPolarHBondContact OD2-CB 3.47Å; D411-H633 IonicContact OD2-CG 2.73Å; D411-H633 IonicContact OD2-ND1 3.59Å; D411-H633 PolarHBondContact OD2-ND1 3.15Å; D411-E634 PolarHBondContact OD1-N 3.07Å; D411-E634 PolarHBondContact OD2-N 3.28Å
412	L	97.3	Very high	94	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-35.6	-173	179.6	60.9	0	0	0	111.9	I415 L416 F423 C454 I457 I459 I518 M522	L412-I415 PolarHBondContact O-N 3.12Å; L412-L416 HydrophobicContact CD1-CD1 4.07Å; L412-L416 HydrophobicContact CD1-CG 4.05Å; L412-L416 HydrophobicContact CG-CD1 4Å; L412-L416 HydrophobicContact CG-CG 4.4Å; L412-L416 WeakPolarHBondContact O-CB 3.47Å; L412-L416 VanDerWaalsContact O-CG 3.3Å; L412-L416 WeakPolarHBondContact O-CG 3.1Å; L412-L416 PolarHBondContact O-N 3.06Å; L412-F423 HydrophobicContact CD1-CE2 3.72Å; L412-F423 HydrophobicContact CD1-CZ 4.07Å; L412-C454 HydrophobicContact CB-CB 4.27Å; L412-C454 WeakPolarHBondContact CB-O 3.49Å; L412-C454 HydrophobicContact CD2-CB 4.48Å; L412-C454 HydrophobicContact CG-CB 4.3Å; L412-C454 PolarHBondContact N-O 3.32Å; L412-I457 HydrophobicContact CB-CB 3.96Å; L412-I457 HydrophobicContact CB-CG2 4.16Å; L412-I457 HydrophobicContact CD2-CB 4.33Å; L412-I457 HydrophobicContact CD2-CG2 4.22Å; L412-I457 PolarHBondContact N-O 2.98Å; L412-I459 HydrophobicContact CB-CD1 4.2Å; L412-I459 HydrophobicContact CD1-CD1 3.98Å; L412-I518 HydrophobicContact CD2-CG2 3.63Å; L412-M522 HydrophobicContact CD1-CG 4.06Å; L412-M522 HydrophobicContact CD1-SD 4.01Å; L412-M522 HydrophobicContact CD2-CG 3.87Å; L412-M522 HydrophobicContact CD2-SD 3.87Å; L412-M522 HydrophobicContact CG-CG 4.45Å
413	Y	96.1	Very high	94.1	Very high	35 Å²	35	25.9 Å²	25.9	14%	0.137	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-49.7	173.3	179.5	-78.7	0	0	0	110.2	D411 I415 L416 E417 C454 E634	D411-Y413 VanDerWaalsContact C-N 3.27Å; D411-Y413 PolarHBondContact O-N 2.86Å; Y413-I415 VanDerWaalsContact C-N 3.33Å; Y413-I415 PolarHBondContact O-N 3.45Å; Y413-L416 PolarHBondContact O-N 3.3Å; Y413-E417 HydrophobicContact CD1-CB 4.35Å; Y413-E417 HydrophobicContact CE1-CB 4.2Å; Y413-E417 HydrophobicContact CE1-CG 4.32Å; Y413-E417 VanDerWaalsContact O-CB 3.23Å; Y413-E417 WeakPolarHBondContact O-CB 3.23Å; Y413-E417 PolarHBondContact O-N 3.47Å; Y413-C454 PolarHBondContact N-O 2.93Å; Y413-C454 VanDerWaalsContact N-O 3.13Å; Y413-E634 HydrophobicContact CD1-CB 3.96Å; Y413-E634 HydrophobicContact CD1-CG 3.53Å; Y413-E634 HydrophobicContact CE1-CB 4.47Å; Y413-E634 HydrophobicContact CE1-CG 3.65Å; Y413-E634 HydrophobicContact CG-CG 4.14Å
414	G	95.2	Very high	94.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-38	179.8	0	0	0	0	0	113.3	D411 S418 C632 S637	D411-G414 PolarHBondContact O-N 3.14Å; D411-G414 VanDerWaalsContact O-N 3.09Å; D411-G414 PolarHBondContact OD1-N 3.38Å; G414-S418 WeakPolarHBondContact O-CB 3.48Å; G414-S418 PolarHBondContact O-N 2.69Å; G414-C632 WeakPolarHBondContact CA-O 3.19Å; G414-S637 VanDerWaalsContact CA-OG 3.24Å; G414-S637 WeakPolarHBondContact CA-OG 3.12Å; G414-S637 PolarHBondContact O-OG 2.89Å
415	I	95.1	Very high	94.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.6	-50.1	174.3	-64.6	163.7	0	0	0	111.1	H410 D411 L412 Y413 E417 S418 V421 F423 I459 L626 C632	H410-I415 HydrophobicContact CB-CD1 3.63Å; H410-I415 HydrophobicContact CB-CG1 3.64Å; D411-I415 PolarHBondContact O-N 2.85Å; L412-I415 PolarHBondContact O-N 3.12Å; Y413-I415 VanDerWaalsContact C-N 3.33Å; Y413-I415 PolarHBondContact O-N 3.45Å; I415-E417 PolarHBondContact O-N 2.92Å; I415-S418 PolarHBondContact O-N 3.44Å; I415-S418 PolarHBondContact O-OG 3.46Å; I415-V421 HydrophobicContact CG2-CB 3.78Å; I415-V421 HydrophobicContact CG2-CG1 4.24Å; I415-V421 HydrophobicContact CG2-CG2 4.02Å; I415-F423 HydrophobicContact CB-CZ 4.4Å; I415-F423 HydrophobicContact CD1-CZ 4.39Å; I415-F423 HydrophobicContact CG2-CE1 4.35Å; I415-F423 HydrophobicContact CG2-CE2 4.05Å; I415-F423 HydrophobicContact CG2-CZ 3.59Å; I415-I459 HydrophobicContact CD1-CB 4Å; I415-I459 HydrophobicContact CD1-CD1 3.95Å; I415-I459 HydrophobicContact CD1-CG2 4.18Å; I415-L626 HydrophobicContact CD1-CD2 3.79Å; I415-L626 HydrophobicContact CG1-CD2 4.28Å; I415-L626 HydrophobicContact CG2-CD2 4.43Å; I415-C632 HydrophobicContact CG1-CB 4.32Å
416	L	94.5	Very high	94.2	Very high	11 Å²	11	37.3 Å²	37.3	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-44	-177.3	-69.3	174.3	0	0	0	111.8	L412 Y413 F423 E521 R525	L412-L416 HydrophobicContact CD1-CD1 4.07Å; L412-L416 HydrophobicContact CD1-CG 4.05Å; L412-L416 HydrophobicContact CG-CD1 4Å; L412-L416 HydrophobicContact CG-CG 4.4Å; L412-L416 WeakPolarHBondContact O-CB 3.47Å; L412-L416 VanDerWaalsContact O-CG 3.3Å; L412-L416 WeakPolarHBondContact O-CG 3.1Å; L412-L416 PolarHBondContact O-N 3.06Å; Y413-L416 PolarHBondContact O-N 3.3Å; L416-F423 HydrophobicContact CD2-CD2 4.12Å; L416-F423 HydrophobicContact CD2-CE2 3.9Å; L416-E521 HydrophobicContact CD1-CG 3.96Å; L416-R525 PolarHBondContact O-NH2 3.47Å
417	E	92.6	Very high	94.3	Very high	66 Å²	66	36.6 Å²	36.6	31%	0.308	20%	0.203	S	C	.	.	H	α-helix	trans	-69.5	-28.8	177.1	176.9	62.5	-172.6	0	0	113.4	Y413 I415 G419 R641	Y413-E417 HydrophobicContact CD1-CB 4.35Å; Y413-E417 HydrophobicContact CE1-CB 4.2Å; Y413-E417 HydrophobicContact CE1-CG 4.32Å; Y413-E417 VanDerWaalsContact O-CB 3.23Å; Y413-E417 WeakPolarHBondContact O-CB 3.23Å; Y413-E417 PolarHBondContact O-N 3.47Å; I415-E417 PolarHBondContact O-N 2.92Å; E417-G419 PolarHBondContact O-N 2.8Å; E417-G419 VanDerWaalsContact O-N 3.15Å; E417-R641 IonicContact OE1-CZ 3.8Å; E417-R641 VanDerWaalsContact OE1-CZ 3.25Å; E417-R641 IonicContact OE1-NE 2.72Å; E417-R641 PolarHBondContact OE1-NE 3.44Å; E417-R641 IonicContact OE1-NH2 3.46Å; E417-R641 PolarHBondContact OE1-NH2 3Å; E417-R641 IonicContact OE2-CZ 3.76Å; E417-R641 IonicContact OE2-NE 3.93Å; E417-R641 IonicContact OE2-NH2 2.7Å; E417-R641 PolarHBondContact OE2-NH2 3.22Å
418	S	90.4	Very high	94.3	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.049	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-26.8	-175.4	71.4	0	0	0	0	114.3	G414 I415 L420 R640	G414-S418 WeakPolarHBondContact O-CB 3.48Å; G414-S418 PolarHBondContact O-N 2.69Å; I415-S418 PolarHBondContact O-N 3.44Å; I415-S418 PolarHBondContact O-OG 3.46Å; S418-L420 PolarHBondContact O-N 3.45Å; S418-L420 PolarHBondContact OG-N 3.26Å; S418-R640 PolarHBondContact O-NH1 3.39Å
419	G	86.4	Confident	94.4	Very high	57 Å²	57	35.4 Å²	35.4	59%	0.588	20%	0.198	S	C	*	.	S	Bend	trans	67.5	-3.4	-166.8	0	0	0	0	0	115	E417	E417-G419 PolarHBondContact O-N 2.8Å; E417-G419 VanDerWaalsContact O-N 3.15Å
420	L	88.6	Confident	94.4	Very high	88 Å²	88	34.4 Å²	34.4	46%	0.461	19%	0.193	S	C	.	.	S	Bend	trans	-82.8	-16.4	-170.5	-59.6	178.4	0	0	0	114.3	S418 P627 W636	S418-L420 PolarHBondContact O-N 3.45Å; S418-L420 PolarHBondContact OG-N 3.26Å; L420-P627 HydrophobicContact CD1-CB 4.24Å; L420-P627 HydrophobicContact CD1-CG 4.23Å; L420-W636 HydrophobicContact CD1-CH2 4.19Å
421	V	89.7	Confident	94.5	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.036	19%	0.194	C	C	.	.			trans	-133.8	133.2	-172.3	-172.7	0	0	0	0	109.8	I415 F423 R525 P624 L626	I415-V421 HydrophobicContact CG2-CB 3.78Å; I415-V421 HydrophobicContact CG2-CG1 4.24Å; I415-V421 HydrophobicContact CG2-CG2 4.02Å; V421-F423 HydrophobicContact CG1-CD1 4.38Å; V421-F423 HydrophobicContact CG1-CE1 4.21Å; V421-R525 PolarHBondContact O-NH1 3.25Å; V421-R525 PolarHBondContact O-NH2 2.75Å; V421-R525 VanDerWaalsContact O-NH2 3.11Å; V421-P624 HydrophobicContact CG1-CB 4.46Å; V421-L626 HydrophobicContact CG1-CD2 4.22Å; V421-L626 HydrophobicContact CG2-CD2 4.14Å
422	T	89.6	Confident	94.5	Very high	113 Å²	113	34.1 Å²	34.1	69%	0.693	19%	0.192	S	C	*	.			trans	-107.6	129.8	166.5	45.1	0	0	0	0	109.3
423	F	94.2	Very high	94.6	Very high	31 Å²	31	35.8 Å²	35.8	14%	0.136	20%	0.199	C	C	.	.			trans	-88.4	135.4	174.1	-63.8	-56.5	0	0	0	109.8	L412 I415 L416 V421 H427 I428 L431 P624	L412-F423 HydrophobicContact CD1-CE2 3.72Å; L412-F423 HydrophobicContact CD1-CZ 4.07Å; I415-F423 HydrophobicContact CB-CZ 4.4Å; I415-F423 HydrophobicContact CD1-CZ 4.39Å; I415-F423 HydrophobicContact CG2-CE1 4.35Å; I415-F423 HydrophobicContact CG2-CE2 4.05Å; I415-F423 HydrophobicContact CG2-CZ 3.59Å; L416-F423 HydrophobicContact CD2-CD2 4.12Å; L416-F423 HydrophobicContact CD2-CE2 3.9Å; V421-F423 HydrophobicContact CG1-CD1 4.38Å; V421-F423 HydrophobicContact CG1-CE1 4.21Å; F423-H427 HydrophobicContact CB-CB 4.05Å; F423-H427 HydrophobicContact CD1-CB 3.92Å; F423-H427 HydrophobicContact CG-CB 4.4Å; F423-I428 HydrophobicContact CB-CD1 4.2Å; F423-I428 HydrophobicContact CB-CG1 3.63Å; F423-I428 HydrophobicContact CG-CG1 4.45Å; F423-L431 HydrophobicContact CD1-CD1 4.29Å; F423-L431 HydrophobicContact CE1-CD1 3.9Å; F423-L431 HydrophobicContact CE2-CD1 4.39Å; F423-L431 HydrophobicContact CZ-CD1 3.94Å; F423-P624 HydrophobicContact CD1-CB 4.16Å; F423-P624 HydrophobicContact CD1-CG 4.38Å; F423-P624 HydrophobicContact CE1-CB 4.18Å; F423-P624 HydrophobicContact CE1-CG 4.06Å
424	S	95.4	Very high	94.7	Very high	51 Å²	51	34.9 Å²	34.9	36%	0.357	20%	0.196	S	C	.	.			trans	-79.8	164.6	164.7	65.9	0	0	0	0	109.5	Q426 H427 I428	S424-Q426 PolarHBondContact O-N 3.33Å; S424-H427 PolarHBondContact N-ND1 3.15Å; S424-H427 WeakPolarHBondContact O-CB 3.35Å; S424-H427 PolarHBondContact O-N 3.37Å; S424-H427 VanDerWaalsContact OG-CG 3.27Å; S424-H427 PolarHBondContact OG-N 3Å; S424-H427 PolarHBondContact OG-ND1 2.99Å; S424-I428 WeakPolarHBondContact O-CG1 3.4Å; S424-I428 PolarHBondContact O-N 3.38Å
425	E	96.1	Very high	94.9	Very high	85 Å²	85	35 Å²	35	40%	0.397	20%	0.196	S	C	.	.	H	α-helix	trans	-51.3	-41.4	173.1	-174.9	-174.6	170.8	0	0	111.9	H427 I428 A429 F523 P583 W612	E425-H427 PolarHBondContact O-N 2.87Å; E425-I428 PolarHBondContact O-N 2.86Å; E425-A429 VanDerWaalsContact O-CB 3.28Å; E425-A429 WeakPolarHBondContact O-CB 3.49Å; E425-A429 PolarHBondContact O-N 2.92Å; E425-F523 HydrophobicContact CG-CZ 4.36Å; E425-P583 HydrophobicContact CG-CG 4.05Å; E425-P583 WeakPolarHBondContact OE2-CG 3.21Å; E425-W612 HydrophobicContact CG-CZ2 3.97Å; E425-W612 PolarHBondContact OE1-NE1 3.4Å
426	Q	96.5	Very high	95.1	Very high	120 Å²	120	35 Å²	35	56%	0.561	20%	0.196	S	C	*	.	H	α-helix	trans	-64.5	-37.1	178	-63.4	-177	2.7	0	0	112.7	S424 S430 I621	S424-Q426 PolarHBondContact O-N 3.33Å; Q426-S430 VanDerWaalsContact O-CB 3.31Å; Q426-S430 WeakPolarHBondContact O-CB 3.23Å; Q426-S430 PolarHBondContact O-N 2.98Å; Q426-I621 HydrophobicContact CB-CG2 4.36Å
427	H	97.2	Very high	95.3	Very high	28 Å²	28	37.7 Å²	37.7	13%	0.13	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-45.7	173.2	-59.9	154.9	0	0	0	110.8	F423 S424 E425 S430 L431 S622	F423-H427 HydrophobicContact CB-CB 4.05Å; F423-H427 HydrophobicContact CD1-CB 3.92Å; F423-H427 HydrophobicContact CG-CB 4.4Å; S424-H427 PolarHBondContact N-ND1 3.15Å; S424-H427 WeakPolarHBondContact O-CB 3.35Å; S424-H427 PolarHBondContact O-N 3.37Å; S424-H427 VanDerWaalsContact OG-CG 3.27Å; S424-H427 PolarHBondContact OG-N 3Å; S424-H427 PolarHBondContact OG-ND1 2.99Å; E425-H427 PolarHBondContact O-N 2.87Å; H427-S430 WeakPolarHBondContact O-CB 3.5Å; H427-S430 PolarHBondContact O-N 3.45Å; H427-L431 VanDerWaalsContact O-CG 3.29Å; H427-L431 WeakPolarHBondContact O-CG 3.48Å; H427-L431 PolarHBondContact O-N 2.72Å; H427-S622 PolarHBondContact NE2-O 3.21Å
428	I	97.8	Very high	95.5	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-44.2	178.4	-56.6	175.9	0	0	0	110.6	F423 S424 E425 S430 L431 M432 L519 M522 F523 W612	F423-I428 HydrophobicContact CB-CD1 4.2Å; F423-I428 HydrophobicContact CB-CG1 3.63Å; F423-I428 HydrophobicContact CG-CG1 4.45Å; S424-I428 WeakPolarHBondContact O-CG1 3.4Å; S424-I428 PolarHBondContact O-N 3.38Å; E425-I428 PolarHBondContact O-N 2.86Å; I428-S430 PolarHBondContact O-N 2.88Å; I428-L431 PolarHBondContact O-N 3.35Å; I428-M432 HydrophobicContact CG2-CG 4.38Å; I428-M432 WeakPolarHBondContact O-CB 3.32Å; I428-M432 WeakPolarHBondContact O-CG 3.46Å; I428-M432 PolarHBondContact O-N 2.89Å; I428-L519 HydrophobicContact CG2-CD1 4.2Å; I428-M522 HydrophobicContact CD1-CB 4.29Å; I428-M522 HydrophobicContact CG1-CB 4.29Å; I428-M522 HydrophobicContact CG2-CB 3.88Å; I428-M522 HydrophobicContact CG2-CE 3.78Å; I428-M522 HydrophobicContact CG2-SD 4.19Å; I428-F523 HydrophobicContact CB-CE2 4.47Å; I428-F523 HydrophobicContact CB-CZ 4.45Å; I428-F523 HydrophobicContact CD1-CD1 3.62Å; I428-F523 HydrophobicContact CD1-CD2 4.05Å; I428-F523 HydrophobicContact CD1-CE1 3.71Å; I428-F523 HydrophobicContact CD1-CE2 4.12Å; I428-F523 HydrophobicContact CD1-CG 3.8Å; I428-F523 HydrophobicContact CD1-CZ 3.96Å; I428-F523 HydrophobicContact CG2-CD2 4.19Å; I428-F523 HydrophobicContact CG2-CE2 3.82Å; I428-F523 HydrophobicContact CG2-CZ 4.28Å; I428-W612 HydrophobicContact CB-CH2 4.48Å; I428-W612 HydrophobicContact CG2-CH2 4.01Å
429	A	98.1	Very high	95.9	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-42.4	176.7	0	0	0	0	0	112.2	E425 M432 K433 W612 L613 I616	E425-A429 VanDerWaalsContact O-CB 3.28Å; E425-A429 WeakPolarHBondContact O-CB 3.49Å; E425-A429 PolarHBondContact O-N 2.92Å; A429-M432 PolarHBondContact O-N 3.46Å; A429-K433 WeakPolarHBondContact O-CB 3.38Å; A429-K433 PolarHBondContact O-N 3.33Å; A429-W612 HydrophobicContact CB-CH2 4.06Å; A429-W612 HydrophobicContact CB-CZ2 3.67Å; A429-L613 HydrophobicContact CB-CD2 4.14Å; A429-I616 HydrophobicContact CB-CD1 4.02Å; A429-I616 HydrophobicContact CB-CG1 4.07Å; A429-I616 HydrophobicContact CB-CG2 4.46Å
430	S	98	Very high	96.5	Very high	10 Å²	10	32 Å²	32	7%	0.07	17%	0.169	C	C	.	.	H	α-helix	trans	-60.2	-45.8	174.3	-173.3	0	0	0	0	112.3	Q426 H427 I428 Q434 P618	Q426-S430 VanDerWaalsContact O-CB 3.31Å; Q426-S430 WeakPolarHBondContact O-CB 3.23Å; Q426-S430 PolarHBondContact O-N 2.98Å; H427-S430 WeakPolarHBondContact O-CB 3.5Å; H427-S430 PolarHBondContact O-N 3.45Å; I428-S430 PolarHBondContact O-N 2.88Å; S430-Q434 VanDerWaalsContact O-CG 3.31Å; S430-Q434 WeakPolarHBondContact O-CG 3.26Å; S430-Q434 PolarHBondContact O-N 2.89Å; S430-Q434 VanDerWaalsContact O-N 3.13Å; S430-Q434 PolarHBondContact O-NE2 3.11Å; S430-Q434 PolarHBondContact OG-NE2 2.74Å; S430-P618 WeakPolarHBondContact OG-CB 3.1Å
431	L	98.2	Very high	97	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-67.8	-43.4	178.9	-66.4	171.8	0	0	0	111.3	F423 H427 I428 Q434 L435 I459 L465 M522	F423-L431 HydrophobicContact CD1-CD1 4.29Å; F423-L431 HydrophobicContact CE1-CD1 3.9Å; F423-L431 HydrophobicContact CE2-CD1 4.39Å; F423-L431 HydrophobicContact CZ-CD1 3.94Å; H427-L431 VanDerWaalsContact O-CG 3.29Å; H427-L431 WeakPolarHBondContact O-CG 3.48Å; H427-L431 PolarHBondContact O-N 2.72Å; I428-L431 PolarHBondContact O-N 3.35Å; L431-Q434 PolarHBondContact O-N 3.03Å; L431-L435 WeakPolarHBondContact O-CB 3.29Å; L431-L435 PolarHBondContact O-N 3.38Å; L431-I459 HydrophobicContact CD1-CD1 3.97Å; L431-I459 HydrophobicContact CD2-CD1 3.74Å; L431-I459 HydrophobicContact CD2-CG1 4.13Å; L431-I459 HydrophobicContact CG-CD1 4.5Å; L431-L465 HydrophobicContact CB-CD1 3.99Å; L431-L465 HydrophobicContact CD2-CB 4.01Å; L431-L465 HydrophobicContact CD2-CD1 3.89Å; L431-L465 WeakPolarHBondContact O-CD1 3.49Å; L431-M522 HydrophobicContact CB-CE 4.42Å; L431-M522 HydrophobicContact CB-SD 4.22Å; L431-M522 HydrophobicContact CD1-SD 4.06Å
432	M	98.6	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-42.7	175.5	-75.8	-55.2	-60.5	0	0	112.9	I428 A429 Q434 L435 L436 L519 M522 M593 W612 L613	I428-M432 HydrophobicContact CG2-CG 4.38Å; I428-M432 WeakPolarHBondContact O-CB 3.32Å; I428-M432 WeakPolarHBondContact O-CG 3.46Å; I428-M432 PolarHBondContact O-N 2.89Å; A429-M432 PolarHBondContact O-N 3.46Å; M432-Q434 VanDerWaalsContact C-N 3.34Å; M432-Q434 PolarHBondContact O-N 3.48Å; M432-L435 PolarHBondContact O-N 3.33Å; M432-L435 HydrophobicContact SD-CD2 4.46Å; M432-L436 HydrophobicContact CE-CD1 3.89Å; M432-L436 HydrophobicContact CE-CG 4.2Å; M432-L436 WeakPolarHBondContact O-CB 3.27Å; M432-L436 WeakPolarHBondContact O-CG 3.4Å; M432-L436 PolarHBondContact O-N 3.47Å; M432-L519 HydrophobicContact CE-CB 3.99Å; M432-L519 HydrophobicContact CE-CD2 4.42Å; M432-L519 HydrophobicContact CG-CD1 3.94Å; M432-L519 HydrophobicContact SD-CB 3.95Å; M432-L519 HydrophobicContact SD-CD1 4.3Å; M432-M522 HydrophobicContact CG-CE 3.62Å; M432-M522 HydrophobicContact SD-CE 3.36Å; M432-M522 WeakPolarHBondContact SD-CE 3.49Å; M432-M593 HydrophobicContact CE-CE 4.01Å; M432-M593 HydrophobicContact CE-SD 4.25Å; M432-W612 HydrophobicContact CB-CZ3 4.31Å; M432-W612 HydrophobicContact CG-CH2 4.45Å; M432-W612 HydrophobicContact CG-CZ3 4.15Å; M432-L613 HydrophobicContact CB-CD1 4.14Å; M432-L613 HydrophobicContact CB-CD2 4.23Å
433	K	98.5	Very high	97.7	Very high	37 Å²	37	24.7 Å²	24.7	16%	0.161	12%	0.124	C	C	.	.	H	α-helix	trans	-57	-50	175.4	-170.6	78.3	179.5	-170	0	110.2	A429 L435 L436 D437 L608 L613 I616 P618	A429-K433 WeakPolarHBondContact O-CB 3.38Å; A429-K433 PolarHBondContact O-N 3.33Å; K433-L435 PolarHBondContact O-N 2.87Å; K433-L436 PolarHBondContact O-N 2.72Å; K433-D437 VanDerWaalsContact O-CB 3.24Å; K433-D437 WeakPolarHBondContact O-CB 3.2Å; K433-D437 PolarHBondContact O-N 2.81Å; K433-L608 HydrophobicContact CD-CD2 3.77Å; K433-L608 HydrophobicContact CG-CD2 4.37Å; K433-L608 PolarHBondContact NZ-O 3.24Å; K433-L608 WeakPolarHBondContact O-CD2 3.39Å; K433-L613 HydrophobicContact CD-CB 4.05Å; K433-L613 WeakPolarHBondContact CD-O 3.46Å; K433-L613 WeakPolarHBondContact CE-O 3.41Å; K433-L613 PolarHBondContact NZ-O 2.88Å; K433-I616 HydrophobicContact CB-CG2 4.08Å; K433-I616 HydrophobicContact CD-CB 4.46Å; K433-I616 HydrophobicContact CG-CG2 4.36Å; K433-P618 HydrophobicContact CB-CG 4.03Å; K433-P618 HydrophobicContact CG-CG 3.97Å
434	Q	98.6	Very high	97.8	Very high	16 Å²	16	27.1 Å²	27.1	8%	0.075	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-40.8	178.4	-74.5	-177.6	82.4	0	0	113.3	N377 S430 L431 M432 G438 G463 L465 P618	N377-Q434 WeakPolarHBondContact CB-O 3.28Å; N377-Q434 WeakPolarHBondContact ND2-CB 3.45Å; N377-Q434 WeakPolarHBondContact ND2-CG 3.3Å; N377-Q434 PolarHBondContact ND2-OE1 3.15Å; S430-Q434 VanDerWaalsContact O-CG 3.31Å; S430-Q434 WeakPolarHBondContact O-CG 3.26Å; S430-Q434 PolarHBondContact O-N 2.89Å; S430-Q434 VanDerWaalsContact O-N 3.13Å; S430-Q434 PolarHBondContact O-NE2 3.11Å; S430-Q434 PolarHBondContact OG-NE2 2.74Å; L431-Q434 PolarHBondContact O-N 3.03Å; M432-Q434 VanDerWaalsContact C-N 3.34Å; M432-Q434 PolarHBondContact O-N 3.48Å; Q434-G438 PolarHBondContact O-N 3.18Å; Q434-G438 VanDerWaalsContact O-N 3.11Å; Q434-G463 PolarHBondContact NE2-O 3.34Å; Q434-L465 HydrophobicContact CB-CB 3.97Å; Q434-L465 HydrophobicContact CB-CD2 4.26Å; Q434-P618 HydrophobicContact CG-CB 3.9Å; Q434-P618 HydrophobicContact CG-CG 3.85Å
435	L	98.8	Very high	97.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-65.8	-47.7	178.9	176.4	54.3	0	0	0	111.6	L431 M432 K433 G438 L439 I457 L465 L467 C515 I518	L431-L435 WeakPolarHBondContact O-CB 3.29Å; L431-L435 PolarHBondContact O-N 3.38Å; M432-L435 PolarHBondContact O-N 3.33Å; M432-L435 HydrophobicContact SD-CD2 4.46Å; K433-L435 PolarHBondContact O-N 2.87Å; L435-G438 PolarHBondContact O-N 2.7Å; L435-L439 WeakPolarHBondContact O-CB 3.4Å; L435-L439 PolarHBondContact O-N 2.83Å; L435-I457 HydrophobicContact CD1-CD1 3.6Å; L435-I457 HydrophobicContact CD2-CD1 4.31Å; L435-L465 HydrophobicContact CB-CD1 4.22Å; L435-L465 HydrophobicContact CB-CD2 3.95Å; L435-L465 HydrophobicContact CD1-CD2 4.35Å; L435-L467 HydrophobicContact CD1-CD1 4.31Å; L435-C515 HydrophobicContact CD2-CB 4.47Å; L435-I518 HydrophobicContact CD2-CG2 4.36Å
436	L	98.8	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-70.8	-30.9	-179	-69.2	165.2	0	0	0	112.4	M432 K433 L439 S440 C515 M593 A607 L608 L613	M432-L436 HydrophobicContact CE-CD1 3.89Å; M432-L436 HydrophobicContact CE-CG 4.2Å; M432-L436 WeakPolarHBondContact O-CB 3.27Å; M432-L436 WeakPolarHBondContact O-CG 3.4Å; M432-L436 PolarHBondContact O-N 3.47Å; K433-L436 PolarHBondContact O-N 2.72Å; L436-L439 PolarHBondContact O-N 3.48Å; L436-S440 WeakPolarHBondContact O-CB 3.28Å; L436-S440 PolarHBondContact O-N 3.28Å; L436-C515 HydrophobicContact CD2-CB 4.45Å; L436-M593 HydrophobicContact CD2-CE 3.96Å; L436-A607 HydrophobicContact CD1-CB 3.74Å; L436-A607 HydrophobicContact CD2-CB 4.06Å; L436-A607 HydrophobicContact CG-CB 4.47Å; L436-L608 HydrophobicContact CB-CD2 3.69Å; L436-L608 HydrophobicContact CB-CG 3.83Å; L436-L613 HydrophobicContact CD1-CD1 3.53Å
437	D	98.5	Very high	97.8	Very high	68 Å²	68	24.9 Å²	24.9	36%	0.364	12%	0.118	S	C	.	.	H	α-helix	trans	-67.6	-46.5	174.3	-164.7	49.1	0	0	0	110.8	H375 K433 L439 S440 F441 L608	H375-D437 IonicContact CE1-OD2 3.39Å; H375-D437 PolarHBondContact CE1-OD2 2.96Å; H375-D437 IonicContact NE2-OD2 2.68Å; K433-D437 VanDerWaalsContact O-CB 3.24Å; K433-D437 WeakPolarHBondContact O-CB 3.2Å; K433-D437 PolarHBondContact O-N 2.81Å; D437-L439 VanDerWaalsContact C-N 3.31Å; D437-L439 PolarHBondContact O-N 2.97Å; D437-S440 PolarHBondContact O-N 2.9Å; D437-F441 WeakPolarHBondContact O-CB 3.46Å; D437-F441 PolarHBondContact O-N 3.36Å; D437-L608 HydrophobicContact CB-CD1 4.44Å; D437-L608 HydrophobicContact CB-CD2 4.23Å
438	G	98.5	Very high	97.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.1	-38.1	169.9	0	0	0	0	0	113.7	Q434 L435 C442	Q434-G438 PolarHBondContact O-N 3.18Å; Q434-G438 VanDerWaalsContact O-N 3.11Å; L435-G438 PolarHBondContact O-N 2.7Å; G438-C442 PolarHBondContact O-N 2.88Å; G438-C442 PolarHBondContact O-SG 3.4Å; G438-C442 VanDerWaalsContact O-SG 3.36Å
439	L	98.7	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-75	-41	179.1	-172.8	58	0	0	0	112.8	L435 L436 D437 F441 C442 H443 I452 L467 D511 I512 A604	L435-L439 WeakPolarHBondContact O-CB 3.4Å; L435-L439 PolarHBondContact O-N 2.83Å; L436-L439 PolarHBondContact O-N 3.48Å; D437-L439 VanDerWaalsContact C-N 3.31Å; D437-L439 PolarHBondContact O-N 2.97Å; L439-F441 VanDerWaalsContact C-N 3.27Å; L439-F441 PolarHBondContact O-N 2.76Å; L439-C442 WeakPolarHBondContact O-CB 3.33Å; L439-C442 PolarHBondContact O-N 3.18Å; L439-C442 VanDerWaalsContact O-N 3.07Å; L439-H443 WeakPolarHBondContact CD1-NE2 3.31Å; L439-H443 PolarHBondContact O-N 2.93Å; L439-I452 HydrophobicContact CD1-CD1 3.92Å; L439-I452 HydrophobicContact CD2-CD1 4.01Å; L439-L467 HydrophobicContact CD1-CD2 4.4Å; L439-D511 HydrophobicContact CD1-CB 3.96Å; L439-D511 HydrophobicContact CD2-CB 3.92Å; L439-D511 HydrophobicContact CG-CB 4.5Å; L439-I512 HydrophobicContact CD2-CD1 3.86Å; L439-A604 HydrophobicContact CG-CB 4.48Å
440	S	98.4	Very high	97.8	Very high	10 Å²	10	23.7 Å²	23.7	7%	0.07	11%	0.112	C	C	.	.	H	α-helix	trans	-59	-42.5	173.6	-166.5	0	0	0	0	110.4	L436 D437 C442 H443 D444	L436-S440 WeakPolarHBondContact O-CB 3.28Å; L436-S440 PolarHBondContact O-N 3.28Å; D437-S440 PolarHBondContact O-N 2.9Å; S440-C442 VanDerWaalsContact C-N 3.25Å; S440-C442 PolarHBondContact O-N 2.95Å; S440-H443 PolarHBondContact O-N 2.87Å; S440-D444 VanDerWaalsContact O-CB 3.23Å; S440-D444 WeakPolarHBondContact O-CB 3.27Å; S440-D444 PolarHBondContact O-N 2.95Å; S440-D444 PolarHBondContact OG-OD2 2.85Å
441	F	98.2	Very high	97.8	Very high	32 Å²	32	23.7 Å²	23.7	14%	0.14	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-31.4	175.7	-178.5	-79.6	0	0	0	113.7	L373 R374 H375 I378 D437 L439 R445	L373-F441 HydrophobicContact CB-CE1 4.44Å; L373-F441 HydrophobicContact CD2-CD1 4.15Å; L373-F441 HydrophobicContact CD2-CE1 3.96Å; R374-F441 WeakPolarHBondContact O-CZ 3.29Å; H375-F441 HydrophobicContact CB-CD1 3.82Å; H375-F441 HydrophobicContact CB-CD2 4.12Å; H375-F441 HydrophobicContact CB-CE1 3.89Å; H375-F441 HydrophobicContact CB-CE2 4.15Å; H375-F441 HydrophobicContact CB-CG 3.94Å; H375-F441 HydrophobicContact CB-CZ 4.04Å; H375-F441 AromaticContact CD2-CD2 3.1Å; H375-F441 WeakPolarHBondContact CD2-CD2 3.49Å; H375-F441 AromaticContact CD2-CE2 3.54Å; H375-F441 AromaticContact CD2-CG 3.51Å; H375-F441 AromaticContact CG-CD2 3.76Å; H375-F441 AromaticContact CG-CG 3.71Å; H375-F441 AromaticContact NE2-CD2 3.88Å; I378-F441 HydrophobicContact CD1-CD1 3.55Å; I378-F441 HydrophobicContact CD1-CE1 4.07Å; I378-F441 HydrophobicContact CD1-CG 4.42Å; D437-F441 WeakPolarHBondContact O-CB 3.46Å; D437-F441 PolarHBondContact O-N 3.36Å; L439-F441 VanDerWaalsContact C-N 3.27Å; L439-F441 PolarHBondContact O-N 2.76Å; F441-R445 VanDerWaalsContact CZ-NH1 3.29Å; F441-R445 PolarHBondContact O-NH1 3.19Å
442	C	98	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-73.9	-49	172.2	-69.2	0	0	0	0	112	I378 G438 L439 S440 D444 R445 H446 F447	I378-C442 WeakPolarHBondContact CD1-SG 3.3Å; G438-C442 PolarHBondContact O-N 2.88Å; G438-C442 PolarHBondContact O-SG 3.4Å; G438-C442 VanDerWaalsContact O-SG 3.36Å; L439-C442 WeakPolarHBondContact O-CB 3.33Å; L439-C442 PolarHBondContact O-N 3.18Å; L439-C442 VanDerWaalsContact O-N 3.07Å; S440-C442 VanDerWaalsContact C-N 3.25Å; S440-C442 PolarHBondContact O-N 2.95Å; C442-D444 PolarHBondContact O-N 3.33Å; C442-R445 CarbonylContact O-C 3.54Å; C442-R445 VanDerWaalsContact O-C 3.27Å; C442-R445 WeakPolarHBondContact O-CA 3.41Å; C442-R445 PolarHBondContact O-N 3.03Å; C442-H446 PolarHBondContact O-N 3Å; C442-F447 CarbonylContact C-O 3.52Å; C442-F447 HydrophobicContact CB-CB 4.46Å; C442-F447 PolarHBondContact O-N 2.69Å
443	H	97.6	Very high	97.7	Very high	23 Å²	23	25.2 Å²	25.2	11%	0.106	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-38.7	-179.1	-68.3	170.7	0	0	0	112.1	L439 S440 R445 H446 F447 P508 D511	L439-H443 WeakPolarHBondContact CD1-NE2 3.31Å; L439-H443 PolarHBondContact O-N 2.93Å; S440-H443 PolarHBondContact O-N 2.87Å; H443-R445 PolarHBondContact O-N 2.9Å; H443-H446 WeakPolarHBondContact O-CA 3.45Å; H443-H446 PolarHBondContact O-N 3.33Å; H443-F447 PolarHBondContact CD2-O 3.31Å; H443-P508 PolarHBondContact CE1-O 3.38Å; H443-D511 IonicContact CD2-OD2 3.24Å; H443-D511 IonicContact CE1-OD2 3.25Å; H443-D511 IonicContact NE2-OD2 2.78Å; H443-D511 PolarHBondContact NE2-OD2 2.9Å
444	D	95.9	Very high	97.7	Very high	82 Å²	82	23.5 Å²	23.5	44%	0.439	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.1	172.8	-70.9	-29	0	0	0	113	S440 C442 R605	S440-D444 VanDerWaalsContact O-CB 3.23Å; S440-D444 WeakPolarHBondContact O-CB 3.27Å; S440-D444 PolarHBondContact O-N 2.95Å; S440-D444 PolarHBondContact OG-OD2 2.85Å; C442-D444 PolarHBondContact O-N 3.33Å; D444-R605 IonicContact OD1-CZ 2.87Å; D444-R605 IonicContact OD1-NH2 2.69Å; D444-R605 PolarHBondContact OD1-NH2 2.92Å; D444-R605 IonicContact OD2-CZ 2.89Å; D444-R605 IonicContact OD2-NH2 3.69Å; D444-R605 PolarHBondContact OD2-NH2 2.88Å
445	R	95.4	Very high	97.6	Very high	96 Å²	96	23.6 Å²	23.6	36%	0.362	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	19	168	-79.1	172.8	-171.4	68.2	5.5	113.1	L373 F441 C442 H443 F447	L373-R445 HydrophobicContact CD2-CB 4.32Å; F441-R445 VanDerWaalsContact CZ-NH1 3.29Å; F441-R445 PolarHBondContact O-NH1 3.19Å; C442-R445 CarbonylContact O-C 3.54Å; C442-R445 VanDerWaalsContact O-C 3.27Å; C442-R445 WeakPolarHBondContact O-CA 3.41Å; C442-R445 PolarHBondContact O-N 3.03Å; H443-R445 PolarHBondContact O-N 2.9Å; R445-F447 HydrophobicContact CB-CD2 3.85Å; R445-F447 HydrophobicContact CB-CE2 4.22Å; R445-F447 WeakPolarHBondContact O-CD2 3.4Å; R445-F447 WeakPolarHBondContact O-CE2 3.3Å; R445-F447 PolarHBondContact O-N 2.96Å
446	H	95.3	Very high	97.5	Very high	101 Å²	101	24.2 Å²	24.2	47%	0.468	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	25.6	175.4	-57.9	-30.7	0	0	0	113.9	C442 H443 L475 Y476	C442-H446 PolarHBondContact O-N 3Å; H443-H446 WeakPolarHBondContact O-CA 3.45Å; H443-H446 PolarHBondContact O-N 3.33Å; H446-L475 HydrophobicContact CB-CD1 3.84Å; H446-L475 CarbonylContact O-C 3.57Å; H446-L475 VanDerWaalsContact O-CA 3.28Å; H446-L475 WeakPolarHBondContact O-CA 3.36Å; H446-Y476 VanDerWaalsContact CB-O 3.31Å; H446-Y476 WeakPolarHBondContact CB-O 3.43Å; H446-Y476 PolarHBondContact O-N 3.18Å
447	F	96.4	Very high	97.5	Very high	11 Å²	11	24.2 Å²	24.2	5%	0.048	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.3	177.4	-70.3	-68.3	0	0	0	112.6	I369 Q372 L373 C442 H443 R445 R474 L475	I369-F447 HydrophobicContact CB-CE1 4.43Å; I369-F447 HydrophobicContact CD1-CD1 4.06Å; I369-F447 HydrophobicContact CD1-CE1 4.13Å; I369-F447 HydrophobicContact CG1-CD1 4.04Å; I369-F447 HydrophobicContact CG1-CE1 3.7Å; I369-F447 HydrophobicContact CG1-CZ 4.38Å; I369-F447 HydrophobicContact CG2-CD1 4.01Å; I369-F447 HydrophobicContact CG2-CE1 4.2Å; I369-F447 HydrophobicContact CG2-CG 4.21Å; Q372-F447 HydrophobicContact CB-CE2 4.39Å; L373-F447 HydrophobicContact CD2-CD2 3.9Å; L373-F447 HydrophobicContact CD2-CE2 4.42Å; L373-F447 HydrophobicContact CG-CD2 4.39Å; C442-F447 CarbonylContact C-O 3.52Å; C442-F447 HydrophobicContact CB-CB 4.46Å; C442-F447 PolarHBondContact O-N 2.69Å; H443-F447 PolarHBondContact CD2-O 3.31Å; R445-F447 HydrophobicContact CB-CD2 3.85Å; R445-F447 HydrophobicContact CB-CE2 4.22Å; R445-F447 WeakPolarHBondContact O-CD2 3.4Å; R445-F447 WeakPolarHBondContact O-CE2 3.3Å; R445-F447 PolarHBondContact O-N 2.96Å; F447-R474 CarbonylContact C-O 3.45Å; F447-R474 WeakPolarHBondContact CA-O 3.46Å; F447-L475 HydrophobicContact CD1-CB 4.48Å; F447-L475 HydrophobicContact CD1-CD1 4.42Å; F447-L475 HydrophobicContact CE1-CB 4.17Å; F447-L475 HydrophobicContact CE1-CD1 3.97Å; F447-L475 HydrophobicContact CZ-CD1 4.12Å
448	L	97.5	Very high	97.5	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	138	165.7	-52.1	179.4	0	0	0	109.5	R450 A473 R474 Y476 Y506 P508 D511	L448-R450 HydrophobicContact CB-CG 3.57Å; L448-A473 CarbonylContact O-C 3.49Å; L448-A473 WeakPolarHBondContact O-CA 3.4Å; L448-A473 VanDerWaalsContact O-CB 3.25Å; L448-A473 WeakPolarHBondContact O-CB 3.47Å; L448-R474 PolarHBondContact N-O 2.89Å; L448-R474 PolarHBondContact O-N 3.03Å; L448-Y476 HydrophobicContact CD1-CD2 4.1Å; L448-Y476 HydrophobicContact CD1-CG 4.13Å; L448-Y476 HydrophobicContact CD2-CD1 4.47Å; L448-Y476 HydrophobicContact CD2-CG 4.16Å; L448-Y476 HydrophobicContact CG-CG 4.16Å; L448-Y506 HydrophobicContact CD1-CD2 4.12Å; L448-Y506 HydrophobicContact CD1-CE2 3.99Å; L448-P508 HydrophobicContact CD2-CB 4.27Å; L448-P508 HydrophobicContact CD2-CG 3.88Å; L448-D511 WeakPolarHBondContact CA-OD2 3.46Å
449	H	97.9	Very high	97.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.			trans	-82.1	-48.5	178.1	-162.6	-69.9	0	0	0	111.9	D451 I452 A468 D469 F470 L472 A473 D511	H449-D451 PolarHBondContact O-N 3.35Å; H449-I452 HydrophobicContact CB-CD1 4.05Å; H449-I452 HydrophobicContact CB-CG1 3.85Å; H449-A468 PolarHBondContact CE1-O 2.82Å; H449-A468 PolarHBondContact NE2-O 3.25Å; H449-A468 VanDerWaalsContact NE2-O 3.16Å; H449-D469 PolarHBondContact CE1-O 3Å; H449-F470 AromaticContact CD2-CD1 3.94Å; H449-F470 AromaticContact CD2-CE1 3.57Å; H449-F470 AromaticContact CD2-CE2 3.88Å; H449-F470 AromaticContact CD2-CZ 3.55Å; H449-F470 AromaticContact NE2-CD2 3.73Å; H449-F470 AromaticContact NE2-CE2 3.6Å; H449-F470 AromaticContact NE2-CZ 3.79Å; H449-L472 CarbonylContact O-C 3.5Å; H449-A473 WeakPolarHBondContact O-CA 3.26Å; H449-A473 PolarHBondContact O-N 2.7Å; H449-D511 PolarHBondContact N-OD1 3.34Å; H449-D511 PolarHBondContact N-OD2 3.03Å
450	R	97.9	Very high	97.3	Very high	5 Å²	5	23.3 Å²	23.3	2%	0.019	11%	0.111	C	C	.	.			trans	61.7	20.7	173.7	-41.3	-172	-53.9	145.5	16.3	116	L448 L472 V489 I490 Y506 D511	L448-R450 HydrophobicContact CB-CG 3.57Å; R450-L472 VanDerWaalsContact CZ-O 3.27Å; R450-L472 PolarHBondContact NE-O 3.29Å; R450-L472 PolarHBondContact NH2-O 3.48Å; R450-V489 HydrophobicContact CB-CB 4.12Å; R450-V489 HydrophobicContact CB-CG2 4.06Å; R450-I490 VanDerWaalsContact C-CG1 3.4Å; R450-I490 WeakPolarHBondContact O-CA 3.29Å; R450-I490 VanDerWaalsContact O-CG1 3.29Å; R450-I490 WeakPolarHBondContact O-CG1 3.32Å; R450-I490 PolarHBondContact O-N 3.46Å; R450-Y506 HydrophobicContact CG-CE2 4.45Å; R450-Y506 PolarHBondContact NH1-OH 2.91Å; R450-D511 PolarHBondContact N-OD1 3.19Å
451	D	97.4	Very high	97.1	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.053	12%	0.118	C	C	.	.			trans	-163	56.2	168.3	-168.2	34.8	0	0	0	111	H449 K453 N456 L472 T491	H449-D451 PolarHBondContact O-N 3.35Å; D451-K453 IonicContact OD1-NZ 3.25Å; D451-K453 PolarHBondContact OD1-NZ 2.93Å; D451-K453 IonicContact OD2-NZ 2.86Å; D451-K453 PolarHBondContact OD2-NZ 3.21Å; D451-N456 PolarHBondContact O-ND2 2.92Å; D451-N456 PolarHBondContact OD2-ND2 3.17Å; D451-L472 HydrophobicContact CB-CB 4.39Å; D451-L472 HydrophobicContact CB-CD1 3.92Å; D451-T491 PolarHBondContact OD1-N 2.99Å; D451-T491 PolarHBondContact OD1-OG1 3.31Å
452	I	98.5	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.143	C	C	.	.			trans	-83.3	125.8	173.3	-67.9	-176.4	0	0	0	108.3	L439 H449 L467 Y494 D511 I518	L439-I452 HydrophobicContact CD1-CD1 3.92Å; L439-I452 HydrophobicContact CD2-CD1 4.01Å; H449-I452 HydrophobicContact CB-CD1 4.05Å; H449-I452 HydrophobicContact CB-CG1 3.85Å; I452-L467 HydrophobicContact CG1-CD1 4.19Å; I452-Y494 WeakPolarHBondContact O-CB 3.42Å; I452-D511 HydrophobicContact CD1-CB 3.76Å; I452-I518 HydrophobicContact CG2-CD1 3.52Å
453	K	97.8	Very high	96.8	Very high	36 Å²	36	31 Å²	31	16%	0.157	15%	0.148	C	C	.	.			trans	-162.6	161.2	179.6	52	164.5	174.9	-94.5	0	109.6	D451 S455 N456 T491 Y494	D451-K453 IonicContact OD1-NZ 3.25Å; D451-K453 PolarHBondContact OD1-NZ 2.93Å; D451-K453 IonicContact OD2-NZ 2.86Å; D451-K453 PolarHBondContact OD2-NZ 3.21Å; K453-S455 VanDerWaalsContact C-N 3.26Å; K453-S455 WeakPolarHBondContact CD-OG 3.4Å; K453-S455 WeakPolarHBondContact CE-OG 3.26Å; K453-S455 PolarHBondContact O-N 2.7Å; K453-S455 VanDerWaalsContact O-N 3.13Å; K453-N456 WeakPolarHBondContact CE-OD1 3.3Å; K453-N456 HydrophobicContact CG-CB 4.15Å; K453-N456 PolarHBondContact O-N 3.04Å; K453-T491 HydrophobicContact CD-CG2 4.37Å; K453-T491 PolarHBondContact NZ-OG1 3.41Å; K453-Y494 HydrophobicContact CB-CD2 3.53Å; K453-Y494 HydrophobicContact CB-CE2 3.48Å; K453-Y494 VanDerWaalsContact CB-CE2 3.48Å; K453-Y494 HydrophobicContact CB-CG 4.09Å
454	C	97.6	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-58.3	-28.7	-174.6	-69.7	0	0	0	0	115.3	L412 Y413 N456 I457 E521	L412-C454 HydrophobicContact CB-CB 4.27Å; L412-C454 WeakPolarHBondContact CB-O 3.49Å; L412-C454 HydrophobicContact CD2-CB 4.48Å; L412-C454 HydrophobicContact CG-CB 4.3Å; L412-C454 PolarHBondContact N-O 3.32Å; Y413-C454 PolarHBondContact N-O 2.93Å; Y413-C454 VanDerWaalsContact N-O 3.13Å; C454-N456 PolarHBondContact O-N 3.34Å; C454-I457 PolarHBondContact O-N 3.49Å; C454-E521 PolarHBondContact SG-OE1 2.77Å
455	S	95.9	Very high	96.9	Very high	18 Å²	18	31 Å²	31	13%	0.126	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-69	-22.4	173.9	66.4	0	0	0	0	113.7	K453	K453-S455 VanDerWaalsContact C-N 3.26Å; K453-S455 WeakPolarHBondContact CD-OG 3.4Å; K453-S455 WeakPolarHBondContact CE-OG 3.26Å; K453-S455 PolarHBondContact O-N 2.7Å; K453-S455 VanDerWaalsContact O-N 3.13Å
456	N	97.5	Very high	97	Very high	14 Å²	14	27.9 Å²	27.9	8%	0.075	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-98.2	2.1	-176.1	-66.3	8.6	0	0	0	111.7	D451 K453 C454 A468	D451-N456 PolarHBondContact O-ND2 2.92Å; D451-N456 PolarHBondContact OD2-ND2 3.17Å; K453-N456 WeakPolarHBondContact CE-OD1 3.3Å; K453-N456 HydrophobicContact CG-CB 4.15Å; K453-N456 PolarHBondContact O-N 3.04Å; C454-N456 PolarHBondContact O-N 3.34Å; N456-A468 PolarHBondContact O-N 3.07Å
457	I	98.4	Very high	97.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	101.9	173.2	-53.9	-44	0	0	0	108.1	D411 L412 L435 C454 L465 L467 I518	D411-I457 CarbonylContact C-O 3.46Å; D411-I457 WeakPolarHBondContact CA-O 3.29Å; L412-I457 HydrophobicContact CB-CB 3.96Å; L412-I457 HydrophobicContact CB-CG2 4.16Å; L412-I457 HydrophobicContact CD2-CB 4.33Å; L412-I457 HydrophobicContact CD2-CG2 4.22Å; L412-I457 PolarHBondContact N-O 2.98Å; L435-I457 HydrophobicContact CD1-CD1 3.6Å; L435-I457 HydrophobicContact CD2-CD1 4.31Å; C454-I457 PolarHBondContact O-N 3.49Å; I457-L465 HydrophobicContact CG2-CD1 3.34Å; I457-L465 HydrophobicContact CG2-CD2 4.17Å; I457-L465 HydrophobicContact CG2-CG 3.65Å; I457-L467 HydrophobicContact CD1-CD1 3.61Å; I457-I518 HydrophobicContact CD1-CD1 4.33Å; I457-I518 HydrophobicContact CG1-CD1 3.89Å
458	L	98.3	Very high	97.2	Very high	31 Å²	31	23 Å²	23	16%	0.162	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.4	-177.4	-52.8	-176.3	0	0	0	110.8	M408 D411 L465 K466 A468	M408-L458 HydrophobicContact CB-CB 3.74Å; M408-L458 HydrophobicContact CB-CD1 4.27Å; M408-L458 HydrophobicContact CE-CB 4.38Å; M408-L458 HydrophobicContact CG-CB 3.82Å; M408-L458 HydrophobicContact CG-CD1 4.11Å; D411-L458 HydrophobicContact CB-CD2 3.92Å; L458-L465 CarbonylContact O-C 3.45Å; L458-L465 VanDerWaalsContact O-CA 3.31Å; L458-L465 WeakPolarHBondContact O-CA 3.47Å; L458-K466 PolarHBondContact N-O 2.68Å; L458-K466 PolarHBondContact O-N 3.02Å; L458-A468 HydrophobicContact CD1-CB 3.65Å; L458-A468 HydrophobicContact CG-CB 3.81Å
459	I	97.8	Very high	97	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	138	-178.8	-61.6	173.6	0	0	0	108.8	D409 H410 L412 I415 L431 Q464 L465 L626	D409-I459 PolarHBondContact N-O 2.98Å; H410-I459 PolarHBondContact N-O 3.43Å; H410-I459 PolarHBondContact O-N 3.02Å; H410-I459 VanDerWaalsContact O-O 3.13Å; L412-I459 HydrophobicContact CB-CD1 4.2Å; L412-I459 HydrophobicContact CD1-CD1 3.98Å; I415-I459 HydrophobicContact CD1-CB 4Å; I415-I459 HydrophobicContact CD1-CD1 3.95Å; I415-I459 HydrophobicContact CD1-CG2 4.18Å; L431-I459 HydrophobicContact CD1-CD1 3.97Å; L431-I459 HydrophobicContact CD2-CD1 3.74Å; L431-I459 HydrophobicContact CD2-CG1 4.13Å; L431-I459 HydrophobicContact CG-CD1 4.5Å; I459-Q464 WeakPolarHBondContact CA-O 3.42Å; I459-L465 HydrophobicContact CG1-CB 4.45Å; I459-L465 HydrophobicContact CG1-CD1 4.5Å; I459-L465 HydrophobicContact CG1-CG 4.49Å; I459-L626 HydrophobicContact CG2-CD1 3.97Å
460	N	95.7	Very high	96.8	Very high	18 Å²	18	24.9 Å²	24.9	10%	0.096	12%	0.123	C	C	.	.			trans	-106	165.7	174.9	73.2	16	0	0	0	112.2	M408 D409 K462 G463 Q464 L626	M408-N460 HydrophobicContact CE-CB 3.85Å; M408-N460 HydrophobicContact SD-CB 3.95Å; D409-N460 VanDerWaalsContact OD2-CA 3.26Å; D409-N460 WeakPolarHBondContact OD2-CA 3.28Å; D409-N460 VanDerWaalsContact OD2-CB 3.3Å; D409-N460 WeakPolarHBondContact OD2-CB 3.18Å; N460-K462 PolarHBondContact O-N 2.86Å; N460-K462 WeakPolarHBondContact OD1-CA 3.43Å; N460-K462 WeakPolarHBondContact OD1-CB 3.28Å; N460-K462 PolarHBondContact OD1-N 2.91Å; N460-G463 PolarHBondContact O-N 3.17Å; N460-Q464 PolarHBondContact N-O 3.18Å; N460-Q464 VanDerWaalsContact N-O 3.08Å; N460-Q464 PolarHBondContact ND2-OE1 3.44Å; N460-Q464 WeakPolarHBondContact OD1-CB 3.31Å; N460-Q464 PolarHBondContact OD1-N 3.15Å; N460-Q464 VanDerWaalsContact OD1-N 3.07Å; N460-L626 VanDerWaalsContact O-CD1 3.23Å; N460-L626 WeakPolarHBondContact O-CD1 3.29Å
461	N	94.6	Very high	96.5	Very high	41 Å²	41	24.6 Å²	24.6	22%	0.219	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-2.2	177.7	-82.4	-63	0	0	0	115	D409 H410	D409-N461 VanDerWaalsContact CB-ND2 3.35Å; D409-N461 WeakPolarHBondContact CB-ND2 3.24Å; D409-N461 PolarHBondContact OD2-N 3.23Å; D409-N461 PolarHBondContact OD2-ND2 3.14Å; H410-N461 PolarHBondContact NE2-OD1 3.21Å
462	K	94.4	Very high	96.2	Very high	154 Å²	154	26.7 Å²	26.7	67%	0.67	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	11.5	175	-57.3	174.9	-176.1	171.9	0	112.6	N460 Q464	N460-K462 PolarHBondContact O-N 2.86Å; N460-K462 WeakPolarHBondContact OD1-CA 3.43Å; N460-K462 WeakPolarHBondContact OD1-CB 3.28Å; N460-K462 PolarHBondContact OD1-N 2.91Å; K462-Q464 HydrophobicContact CB-CG 4.14Å; K462-Q464 PolarHBondContact O-N 2.82Å
463	G	95	Very high	96.1	Very high	9 Å²	9	26.7 Å²	26.7	9%	0.093	13%	0.133	C	C	.	.	S	Bend	trans	70	13	-178	0	0	0	0	0	114.4	Q434 N460	Q434-G463 PolarHBondContact NE2-O 3.34Å; N460-G463 PolarHBondContact O-N 3.17Å
464	Q	97.1	Very high	95.9	Very high	102 Å²	102	29.4 Å²	29.4	48%	0.477	14%	0.142	S	C	.	.			trans	-86.9	132.7	178.7	-51	179.2	-55.5	0	0	109.7	M408 I459 N460 K462	M408-Q464 WeakPolarHBondContact CE-O 3.4Å; I459-Q464 WeakPolarHBondContact CA-O 3.42Å; N460-Q464 PolarHBondContact N-O 3.18Å; N460-Q464 VanDerWaalsContact N-O 3.08Å; N460-Q464 PolarHBondContact ND2-OE1 3.44Å; N460-Q464 WeakPolarHBondContact OD1-CB 3.31Å; N460-Q464 PolarHBondContact OD1-N 3.15Å; N460-Q464 VanDerWaalsContact OD1-N 3.07Å; K462-Q464 HydrophobicContact CB-CG 4.14Å; K462-Q464 PolarHBondContact O-N 2.82Å
465	L	98.1	Very high	95.7	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.5	-178.9	176.9	155	0	0	0	111.2	N377 L431 Q434 L435 I457 L458 I459	N377-L465 WeakPolarHBondContact CA-O 3.4Å; N377-L465 PolarHBondContact ND2-O 3.13Å; L431-L465 HydrophobicContact CB-CD1 3.99Å; L431-L465 HydrophobicContact CD2-CB 4.01Å; L431-L465 HydrophobicContact CD2-CD1 3.89Å; L431-L465 WeakPolarHBondContact O-CD1 3.49Å; Q434-L465 HydrophobicContact CB-CB 3.97Å; Q434-L465 HydrophobicContact CB-CD2 4.26Å; L435-L465 HydrophobicContact CB-CD1 4.22Å; L435-L465 HydrophobicContact CB-CD2 3.95Å; L435-L465 HydrophobicContact CD1-CD2 4.35Å; I457-L465 HydrophobicContact CG2-CD1 3.34Å; I457-L465 HydrophobicContact CG2-CD2 4.17Å; I457-L465 HydrophobicContact CG2-CG 3.65Å; L458-L465 CarbonylContact O-C 3.45Å; L458-L465 VanDerWaalsContact O-CA 3.31Å; L458-L465 WeakPolarHBondContact O-CA 3.47Å; I459-L465 HydrophobicContact CG1-CB 4.45Å; I459-L465 HydrophobicContact CG1-CD1 4.5Å; I459-L465 HydrophobicContact CG1-CG 4.49Å
466	K	98.6	Very high	95.4	Very high	31 Å²	31	34.8 Å²	34.8	14%	0.135	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.3	171.2	-72.5	-176.9	171.2	-63.7	0	111.9	P376 N377 I378 M408 L458	P376-K466 PolarHBondContact O-NZ 3.49Å; N377-K466 WeakPolarHBondContact O-CA 3.31Å; I378-K466 WeakPolarHBondContact O-CD 3.38Å; I378-K466 PolarHBondContact O-NZ 2.97Å; M408-K466 HydrophobicContact CE-CB 4.05Å; M408-K466 HydrophobicContact CE-CD 4.1Å; M408-K466 HydrophobicContact CE-CG 3.9Å; M408-K466 HydrophobicContact CG-CD 4.32Å; M408-K466 HydrophobicContact SD-CD 3.76Å; M408-K466 HydrophobicContact SD-CG 4.26Å; L458-K466 PolarHBondContact N-O 2.68Å; L458-K466 PolarHBondContact O-N 3.02Å
467	L	98.6	Very high	94.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.8	168.6	-179.5	58.8	0	0	0	110.7	N377 V379 L435 L439 I452 I457 F470	N377-L467 PolarHBondContact O-N 3.19Å; V379-L467 PolarHBondContact N-O 3.19Å; L435-L467 HydrophobicContact CD1-CD1 4.31Å; L439-L467 HydrophobicContact CD1-CD2 4.4Å; I452-L467 HydrophobicContact CG1-CD1 4.19Å; I457-L467 HydrophobicContact CD1-CD1 3.61Å; L467-F470 HydrophobicContact CD2-CZ 4.23Å; L467-F470 HydrophobicContact CG-CE2 4.3Å; L467-F470 HydrophobicContact CG-CZ 4.19Å
468	A	96.7	Very high	94	Very high	9 Å²	9	40.1 Å²	40.1	7%	0.074	20%	0.201	C	C	.	.			trans	-141.8	169.5	-170.8	0	0	0	0	0	115	V379 H449 N456 L458	V379-A468 HydrophobicContact CB-CB 3.99Å; V379-A468 HydrophobicContact CG1-CB 4Å; V379-A468 HydrophobicContact CG2-CB 4.48Å; H449-A468 PolarHBondContact CE1-O 2.82Å; H449-A468 PolarHBondContact NE2-O 3.25Å; H449-A468 VanDerWaalsContact NE2-O 3.16Å; N456-A468 PolarHBondContact O-N 3.07Å; L458-A468 HydrophobicContact CD1-CB 3.65Å; L458-A468 HydrophobicContact CG-CB 3.81Å
469	D	93.6	Very high	93	Very high	40 Å²	40	42.1 Å²	42.1	21%	0.214	23%	0.229	C	C	.	.			trans	62.5	69.4	-176.3	-158.8	22.4	0	0	0	116.1	K348 H449 G471	K348-D469 IonicContact NZ-OD1 2.74Å; K348-D469 PolarHBondContact NZ-OD1 3.45Å; H449-D469 PolarHBondContact CE1-O 3Å; D469-G471 PolarHBondContact O-N 3.33Å; D469-G471 VanDerWaalsContact O-N 3.14Å
470	F	94.5	Very high	92.2	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.009	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-79.4	16.8	178.2	-73.4	-106.4	0	0	0	113.5	E366 I369 L370 L373 I378 V379 H449 L467 L472 A473	E366-F470 HydrophobicContact CG-CB 4.36Å; I369-F470 HydrophobicContact CG2-CB 4.41Å; I369-F470 HydrophobicContact CG2-CD1 3.89Å; I369-F470 HydrophobicContact CG2-CG 4.48Å; L370-F470 HydrophobicContact CD2-CB 4.23Å; L370-F470 HydrophobicContact CD2-CD1 4.49Å; L370-F470 HydrophobicContact CD2-CD2 3.55Å; L370-F470 HydrophobicContact CD2-CE2 3.98Å; L370-F470 HydrophobicContact CD2-CG 3.84Å; L370-F470 HydrophobicContact CG-CB 4.27Å; L370-F470 HydrophobicContact CG-CD2 4.41Å; L370-F470 HydrophobicContact CG-CG 4.42Å; L373-F470 HydrophobicContact CD1-CD1 3.74Å; L373-F470 HydrophobicContact CD1-CE1 3.31Å; L373-F470 HydrophobicContact CD1-CZ 3.93Å; I378-F470 HydrophobicContact CG2-CE2 3.81Å; I378-F470 HydrophobicContact CG2-CZ 3.83Å; V379-F470 HydrophobicContact CG1-CD2 4.41Å; V379-F470 HydrophobicContact CG1-CE2 4.46Å; H449-F470 AromaticContact CD2-CD1 3.94Å; H449-F470 AromaticContact CD2-CE1 3.57Å; H449-F470 AromaticContact CD2-CE2 3.88Å; H449-F470 AromaticContact CD2-CZ 3.55Å; H449-F470 AromaticContact NE2-CD2 3.73Å; H449-F470 AromaticContact NE2-CE2 3.6Å; H449-F470 AromaticContact NE2-CZ 3.79Å; L467-F470 HydrophobicContact CD2-CZ 4.23Å; L467-F470 HydrophobicContact CG-CE2 4.3Å; L467-F470 HydrophobicContact CG-CZ 4.19Å; F470-L472 VanDerWaalsContact C-N 3.26Å; F470-L472 PolarHBondContact O-N 2.85Å; F470-A473 HydrophobicContact CB-CB 3.99Å; F470-A473 HydrophobicContact CD1-CB 3.79Å; F470-A473 HydrophobicContact CG-CB 4.33Å; F470-A473 WeakPolarHBondContact O-CB 3.35Å; F470-A473 PolarHBondContact O-N 3.31Å; F470-A473 VanDerWaalsContact O-N 3.12Å
471	G	89.7	Confident	91.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-60.6	-31.9	-179.8	0	0	0	0	0	114.1	R365 D469	R365-G471 PolarHBondContact NH1-O 2.81Å; D469-G471 PolarHBondContact O-N 3.33Å; D469-G471 VanDerWaalsContact O-N 3.14Å
472	L	92.8	Very high	90.4	Very high	53 Å²	53	57.6 Å²	57.6	28%	0.277	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-95.3	-3.9	175.9	-67.5	-179.8	0	0	0	114.3	H449 R450 D451 F470	H449-L472 CarbonylContact O-C 3.5Å; R450-L472 VanDerWaalsContact CZ-O 3.27Å; R450-L472 PolarHBondContact NE-O 3.29Å; R450-L472 PolarHBondContact NH2-O 3.48Å; D451-L472 HydrophobicContact CB-CB 4.39Å; D451-L472 HydrophobicContact CB-CD1 3.92Å; F470-L472 VanDerWaalsContact C-N 3.26Å; F470-L472 PolarHBondContact O-N 2.85Å
473	A	95.3	Very high	90.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.			trans	-66.2	153.8	-177.8	0	0	0	0	0	112.9	R365 I369 L448 H449 F470	R365-A473 WeakPolarHBondContact CD-O 3.39Å; I369-A473 HydrophobicContact CD1-CB 3.7Å; I369-A473 WeakPolarHBondContact CD1-O 3.39Å; L448-A473 CarbonylContact O-C 3.49Å; L448-A473 WeakPolarHBondContact O-CA 3.4Å; L448-A473 VanDerWaalsContact O-CB 3.25Å; L448-A473 WeakPolarHBondContact O-CB 3.47Å; H449-A473 WeakPolarHBondContact O-CA 3.26Å; H449-A473 PolarHBondContact O-N 2.7Å; F470-A473 HydrophobicContact CB-CB 3.99Å; F470-A473 HydrophobicContact CD1-CB 3.79Å; F470-A473 HydrophobicContact CG-CB 4.33Å; F470-A473 WeakPolarHBondContact O-CB 3.35Å; F470-A473 PolarHBondContact O-N 3.31Å; F470-A473 VanDerWaalsContact O-N 3.12Å
474	R	93.7	Very high	89.9	Confident	94 Å²	94	58.8 Å²	58.8	36%	0.355	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	148.8	-178.3	-71.2	-66.1	-176	145.1	6.8	112	F447 L448	F447-R474 CarbonylContact C-O 3.45Å; F447-R474 WeakPolarHBondContact CA-O 3.46Å; L448-R474 PolarHBondContact N-O 2.89Å; L448-R474 PolarHBondContact O-N 3.03Å
475	L	93	Very high	89.7	Confident	86 Å²	86	54.8 Å²	54.8	45%	0.45	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	135.6	163.2	-170.5	75.9	0	0	0	109.3	H446 F447 I477	H446-L475 HydrophobicContact CB-CD1 3.84Å; H446-L475 CarbonylContact O-C 3.57Å; H446-L475 VanDerWaalsContact O-CA 3.28Å; H446-L475 WeakPolarHBondContact O-CA 3.36Å; F447-L475 HydrophobicContact CD1-CB 4.48Å; F447-L475 HydrophobicContact CD1-CD1 4.42Å; F447-L475 HydrophobicContact CE1-CB 4.17Å; F447-L475 HydrophobicContact CE1-CD1 3.97Å; F447-L475 HydrophobicContact CZ-CD1 4.12Å; L475-I477 HydrophobicContact CD2-CD1 4.29Å; L475-I477 HydrophobicContact CD2-CG1 4.3Å; L475-I477 HydrophobicContact CG-CG1 4.44Å
476	Y	90.2	Very high	89.5	Confident	44 Å²	44	58.3 Å²	58.3	17%	0.173	31%	0.308	C	S	.	.			trans	-129	116.5	179.9	161.2	-91.9	0	0	0	109.2	H446 L448 A478 Y485 Y506 P508	H446-Y476 VanDerWaalsContact CB-O 3.31Å; H446-Y476 WeakPolarHBondContact CB-O 3.43Å; H446-Y476 PolarHBondContact O-N 3.18Å; L448-Y476 HydrophobicContact CD1-CD2 4.1Å; L448-Y476 HydrophobicContact CD1-CG 4.13Å; L448-Y476 HydrophobicContact CD2-CD1 4.47Å; L448-Y476 HydrophobicContact CD2-CG 4.16Å; L448-Y476 HydrophobicContact CG-CG 4.16Å; Y476-A478 HydrophobicContact CE1-CB 3.94Å; Y476-Y485 AromaticContact CD2-CE2 3.89Å; Y476-Y485 HydrophobicContact CD2-CE2 3.89Å; Y476-Y485 AromaticContact CD2-CZ 3.91Å; Y476-Y485 HydrophobicContact CE2-CE2 4.44Å; Y476-Y506 WeakPolarHBondContact CE2-O 3.41Å; Y476-P508 HydrophobicContact CD1-CG 4.24Å; Y476-P508 HydrophobicContact CE1-CG 4.11Å
477	I	87	Confident	89.4	Confident	75 Å²	75	57.6 Å²	57.6	39%	0.385	31%	0.305	S	S	.	.			trans	-101.7	113.9	-177.6	-61.2	170.6	0	0	0	107.7	L475 G479 D480	L475-I477 HydrophobicContact CD2-CD1 4.29Å; L475-I477 HydrophobicContact CD2-CG1 4.3Å; L475-I477 HydrophobicContact CG-CG1 4.44Å; I477-G479 PolarHBondContact O-N 3.48Å; I477-D480 HydrophobicContact CB-CB 3.74Å; I477-D480 HydrophobicContact CG2-CB 3.86Å; I477-D480 WeakPolarHBondContact O-CA 3.34Å; I477-D480 WeakPolarHBondContact O-CB 3.42Å; I477-D480 PolarHBondContact O-N 3.3Å
478	A	80.1	Confident	89.3	Confident	52 Å²	52	63.6 Å²	63.6	43%	0.43	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.6	-171.6	0	0	0	0	0	114.8	Y476	Y476-A478 HydrophobicContact CE1-CB 3.94Å
479	G	77.1	Confident	89.2	Confident	72 Å²	72	63.6 Å²	63.6	74%	0.742	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-22.9	170.4	0	0	0	0	0	113.9	I477 K481	I477-G479 PolarHBondContact O-N 3.48Å; G479-K481 PolarHBondContact O-N 3.33Å
480	D	81.2	Confident	89.4	Confident	55 Å²	55	61.9 Å²	61.9	29%	0.294	32%	0.321	S	S	.	.			trans	-87.5	56.6	-177.4	-169.1	8	0	0	0	110.4	I477 E482 R483	I477-D480 HydrophobicContact CB-CB 3.74Å; I477-D480 HydrophobicContact CG2-CB 3.86Å; I477-D480 WeakPolarHBondContact O-CA 3.34Å; I477-D480 WeakPolarHBondContact O-CB 3.42Å; I477-D480 PolarHBondContact O-N 3.3Å; D480-E482 PolarHBondContact O-N 2.77Å; D480-R483 PolarHBondContact O-N 3.05Å; D480-R483 WeakPolarHBondContact OD1-CB 3.28Å; D480-R483 WeakPolarHBondContact OD2-CD 3.49Å; D480-R483 IonicContact OD2-NH1 3.25Å; D480-R483 PolarHBondContact OD2-NH1 2.94Å
481	K	75.9	Confident	89.5	Confident	160 Å²	160	64.4 Å²	64.4	70%	0.696	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.9	-177.4	-62.5	-177.6	-179.5	178.5	0	112.9	G479 R483	G479-K481 PolarHBondContact O-N 3.33Å; K481-R483 VanDerWaalsContact C-N 3.31Å
482	E	76.9	Confident	89.9	Confident	169 Å²	169	65.7 Å²	65.7	79%	0.79	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.9	-179.7	-62.7	-168.5	170.7	0	0	113.4	D480 P484 R505	D480-E482 PolarHBondContact O-N 2.77Å; E482-P484 WeakPolarHBondContact O-CD 3.35Å; E482-R505 PolarHBondContact O-NH1 2.64Å
483	R	87	Confident	90.1	Very high	119 Å²	119	67.4 Å²	67.4	45%	0.449	35%	0.346	S	S	.	.			trans	-85.4	119.5	175.3	-178.3	171.1	-164.9	152.4	7.8	113.4	D480 K481 Y485	D480-R483 PolarHBondContact O-N 3.05Å; D480-R483 WeakPolarHBondContact OD1-CB 3.28Å; D480-R483 WeakPolarHBondContact OD2-CD 3.49Å; D480-R483 IonicContact OD2-NH1 3.25Å; D480-R483 PolarHBondContact OD2-NH1 2.94Å; K481-R483 VanDerWaalsContact C-N 3.31Å; R483-Y485 HydrophobicContact CG-CE1 4.38Å
484	P	90	Very high	90.3	Very high	69 Å²	69	67.9 Å²	67.9	45%	0.448	35%	0.348	S	S	.	.			trans	-75.2	144.2	167.6	31.3	-33.4	0	0	0	111.5	E482 E504	E482-P484 WeakPolarHBondContact O-CD 3.35Å; P484-E504 HydrophobicContact CB-CB 3.87Å; P484-E504 WeakPolarHBondContact CB-OE2 3.37Å
485	Y	93.2	Very high	90.5	Very high	18 Å²	18	64.5 Å²	64.5	7%	0.071	34%	0.335	C	S	.	.			trans	-115.9	152.1	168.1	-55.2	-85.5	0	0	0	109.1	Y476 R483 N487 E504 Y506	Y476-Y485 AromaticContact CD2-CE2 3.89Å; Y476-Y485 HydrophobicContact CD2-CE2 3.89Å; Y476-Y485 AromaticContact CD2-CZ 3.91Å; Y476-Y485 HydrophobicContact CE2-CE2 4.44Å; R483-Y485 HydrophobicContact CG-CE1 4.38Å; Y485-N487 PolarHBondContact O-N 2.95Å; Y485-E504 WeakPolarHBondContact CD2-O 3.38Å; Y485-E504 PolarHBondContact N-O 3.13Å; Y485-Y506 WeakPolarHBondContact CB-OH 3.37Å
486	T	94	Very high	90.8	Very high	77 Å²	77	60.4 Å²	60.4	47%	0.472	31%	0.314	S	S	.	.			trans	-50.4	113.9	176.9	-43.5	0	0	0	0	111.3	V489 Y506	T486-V489 HydrophobicContact CG2-CG1 4.47Å; T486-V489 WeakPolarHBondContact O-CG1 3.46Å; T486-Y506 PolarHBondContact O-OH 3.09Å
487	N	96.3	Very high	91.1	Very high	15 Å²	15	58.3 Å²	58.3	8%	0.08	31%	0.306	C	S	.	.	S	Bend	trans	-61.8	-48.5	179.9	164.6	-90.5	0	0	0	113	Y485 V489 L499 G502 E503 E504	Y485-N487 PolarHBondContact O-N 2.95Å; N487-V489 VanDerWaalsContact C-N 3.27Å; N487-V489 PolarHBondContact O-N 3.17Å; N487-L499 PolarHBondContact ND2-O 2.74Å; N487-G502 VanDerWaalsContact ND2-C 3.33Å; N487-G502 WeakPolarHBondContact ND2-CA 3.23Å; N487-E503 PolarHBondContact ND2-N 2.87Å; N487-E503 PolarHBondContact ND2-O 3.13Å; N487-E504 HydrophobicContact CB-CG 4.11Å
488	K	96.3	Very high	91.7	Very high	127 Å²	127	54.9 Å²	54.9	55%	0.552	29%	0.288	S	S	*	.	S	Bend	trans	-74.6	77.9	-178	-66.5	-164.6	175.9	-123	0	111.9	E534	K488-E534 IonicContact NZ-OE1 3.85Å; K488-E534 PolarHBondContact NZ-OE1 2.95Å; K488-E534 IonicContact NZ-OE2 2.7Å; K488-E534 PolarHBondContact NZ-OE2 3.4Å
489	V	96.3	Very high	92.5	Very high	8 Å²	8	52.5 Å²	52.5	5%	0.048	27%	0.268	C	S	.	.			trans	-132.8	172.2	173.1	-64.4	0	0	0	0	109.9	R450 T486 N487 R495 L499 Y506	R450-V489 HydrophobicContact CB-CB 4.12Å; R450-V489 HydrophobicContact CB-CG2 4.06Å; T486-V489 HydrophobicContact CG2-CG1 4.47Å; T486-V489 WeakPolarHBondContact O-CG1 3.46Å; N487-V489 VanDerWaalsContact C-N 3.27Å; N487-V489 PolarHBondContact O-N 3.17Å; V489-R495 PolarHBondContact O-NE 3.36Å; V489-L499 HydrophobicContact CG2-CD1 3.68Å; V489-Y506 WeakPolarHBondContact CG2-OH 3.39Å
490	I	97.3	Very high	93.5	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	23%	0.234	C	C	.	.	S	Bend	trans	62.3	136.5	-170.2	-53.9	167.9	0	0	0	112.2	R450 Y494 R495 P496 L499 V510	R450-I490 VanDerWaalsContact C-CG1 3.4Å; R450-I490 WeakPolarHBondContact O-CA 3.29Å; R450-I490 VanDerWaalsContact O-CG1 3.29Å; R450-I490 WeakPolarHBondContact O-CG1 3.32Å; R450-I490 PolarHBondContact O-N 3.46Å; I490-Y494 WeakPolarHBondContact CG2-O 3.37Å; I490-R495 HydrophobicContact CB-CB 4.41Å; I490-R495 HydrophobicContact CG2-CB 4.31Å; I490-R495 PolarHBondContact O-NE 2.95Å; I490-R495 PolarHBondContact O-NH2 3.31Å; I490-P496 HydrophobicContact CD1-CG 4.43Å; I490-L499 HydrophobicContact CD1-CD1 3.99Å; I490-V510 HydrophobicContact CD1-CB 3.87Å; I490-V510 HydrophobicContact CD1-CG2 4.08Å
491	T	95.7	Very high	94.3	Very high	54 Å²	54	46.6 Å²	46.6	33%	0.331	22%	0.22	S	C	.	.			trans	-65	132.8	174.9	-59.7	0	0	0	0	109.9	D451 K453 W493 Y494 R495	D451-T491 PolarHBondContact OD1-N 2.99Å; D451-T491 PolarHBondContact OD1-OG1 3.31Å; K453-T491 HydrophobicContact CD-CG2 4.37Å; K453-T491 PolarHBondContact NZ-OG1 3.41Å; T491-W493 VanDerWaalsContact C-N 3.33Å; T491-W493 PolarHBondContact O-N 3.4Å; T491-Y494 PolarHBondContact O-N 2.93Å; T491-R495 PolarHBondContact O-N 3.38Å
492	L	98	Very high	95.2	Very high	28 Å²	28	39.3 Å²	39.3	15%	0.147	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-46.7	-46.1	-160	-176.2	62.6	0	0	0	115.3	Y494 R495 L500 S532 E534 Q537	L492-Y494 PolarHBondContact O-N 3.37Å; L492-R495 VanDerWaalsContact O-CB 3.26Å; L492-R495 WeakPolarHBondContact O-CB 3.34Å; L492-R495 PolarHBondContact O-N 2.96Å; L492-L500 HydrophobicContact CD1-CD2 3.84Å; L492-S532 VanDerWaalsContact CD2-O 3.28Å; L492-S532 WeakPolarHBondContact CD2-O 3.46Å; L492-E534 HydrophobicContact CD1-CG 3.89Å; L492-Q537 HydrophobicContact CD1-CB 3.83Å; L492-Q537 HydrophobicContact CD1-CG 3.82Å; L492-Q537 HydrophobicContact CD2-CB 4.36Å; L492-Q537 HydrophobicContact CG-CB 4.05Å; L492-Q537 HydrophobicContact CG-CG 3.95Å; L492-Q537 PolarHBondContact O-NE2 3.22Å
493	W	98.1	Very high	96.1	Very high	88 Å²	88	33.7 Å²	33.7	33%	0.333	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-63.5	-23	-177.6	-59.3	-11.9	0	0	0	114.6	T491 P527 F529 Q530 A531	T491-W493 VanDerWaalsContact C-N 3.33Å; T491-W493 PolarHBondContact O-N 3.4Å; W493-P527 HydrophobicContact CE3-CB 3.89Å; W493-P527 HydrophobicContact CE3-CG 3.85Å; W493-P527 HydrophobicContact CZ3-CB 4.41Å; W493-P527 HydrophobicContact CZ3-CG 3.93Å; W493-F529 VanDerWaalsContact CA-O 3.29Å; W493-F529 WeakPolarHBondContact CA-O 3.38Å; W493-F529 VanDerWaalsContact CB-O 3.26Å; W493-F529 WeakPolarHBondContact CB-O 3.32Å; W493-Q530 HydrophobicContact CD2-CB 4.48Å; W493-Q530 HydrophobicContact CD2-CG 3.89Å; W493-Q530 HydrophobicContact CE3-CG 4.06Å; W493-Q530 HydrophobicContact CG-CG 4.36Å; W493-Q530 HydrophobicContact CH2-CG 4.32Å; W493-Q530 HydrophobicContact CZ2-CB 4.41Å; W493-Q530 HydrophobicContact CZ2-CG 4.18Å; W493-Q530 HydrophobicContact CZ3-CG 4.27Å; W493-A531 PolarHBondContact NE1-O 3.17Å
494	Y	98.6	Very high	96.6	Very high	10 Å²	10	32.3 Å²	32.3	4%	0.039	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-102.8	-0.4	177.3	-53.9	-87.1	0	0	0	111.9	I452 K453 I490 T491 L492 S514 C517 I518 E521	I452-Y494 WeakPolarHBondContact O-CB 3.42Å; K453-Y494 HydrophobicContact CB-CD2 3.53Å; K453-Y494 HydrophobicContact CB-CE2 3.48Å; K453-Y494 VanDerWaalsContact CB-CE2 3.48Å; K453-Y494 HydrophobicContact CB-CG 4.09Å; I490-Y494 WeakPolarHBondContact CG2-O 3.37Å; T491-Y494 PolarHBondContact O-N 2.93Å; L492-Y494 PolarHBondContact O-N 3.37Å; Y494-S514 PolarHBondContact O-OG 3.11Å; Y494-C517 HydrophobicContact CD1-CB 3.66Å; Y494-C517 HydrophobicContact CE1-CB 4.23Å; Y494-I518 HydrophobicContact CD1-CG1 4Å; Y494-I518 HydrophobicContact CE1-CG1 3.77Å; Y494-E521 VanDerWaalsContact CE1-OE2 3.28Å; Y494-E521 WeakPolarHBondContact CE1-OE2 3.11Å; Y494-E521 VanDerWaalsContact CZ-OE2 3.31Å; Y494-E521 PolarHBondContact OH-OE1 3.41Å; Y494-E521 PolarHBondContact OH-OE2 3.13Å
495	R	98.6	Very high	96.7	Very high	23 Å²	23	35.6 Å²	35.6	9%	0.087	17%	0.166	C	C	.	.			trans	-75.1	132.3	-174.8	-169.9	179.4	-67.1	160.4	5.6	111.1	V489 I490 T491 L492 L499 L500 W513 E534	V489-R495 PolarHBondContact O-NE 3.36Å; I490-R495 HydrophobicContact CB-CB 4.41Å; I490-R495 HydrophobicContact CG2-CB 4.31Å; I490-R495 PolarHBondContact O-NE 2.95Å; I490-R495 PolarHBondContact O-NH2 3.31Å; T491-R495 PolarHBondContact O-N 3.38Å; L492-R495 VanDerWaalsContact O-CB 3.26Å; L492-R495 WeakPolarHBondContact O-CB 3.34Å; L492-R495 PolarHBondContact O-N 2.96Å; R495-L499 HydrophobicContact CG-CB 3.76Å; R495-L499 HydrophobicContact CG-CD1 4.15Å; R495-L500 HydrophobicContact CG-CD2 4.36Å; R495-L500 HydrophobicContact CG-CG 4.3Å; R495-W513 PolarHBondContact O-NE1 3.39Å; R495-E534 IonicContact CZ-OE1 3.72Å; R495-E534 IonicContact NH1-OE1 2.91Å; R495-E534 PolarHBondContact NH1-OE1 3.41Å
496	P	98.5	Very high	96.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.164	C	C	.	.			trans	-77.8	159.6	178.7	36.1	-41.8	0	0	0	113	I490 E498 L499 L500 V510 W513	I490-P496 HydrophobicContact CD1-CG 4.43Å; P496-E498 VanDerWaalsContact C-N 3.32Å; P496-E498 WeakPolarHBondContact CB-OE1 3.27Å; P496-E498 WeakPolarHBondContact CB-OE2 3.31Å; P496-E498 HydrophobicContact CG-CG 4.37Å; P496-E498 WeakPolarHBondContact CG-OE1 3.34Å; P496-E498 PolarHBondContact O-N 2.99Å; P496-L499 HydrophobicContact CG-CB 4.37Å; P496-L499 HydrophobicContact CG-CD1 4.04Å; P496-L499 HydrophobicContact CG-CG 3.92Å; P496-L499 PolarHBondContact O-N 3.18Å; P496-L500 PolarHBondContact O-N 2.79Å; P496-V510 HydrophobicContact CG-CB 3.93Å; P496-V510 HydrophobicContact CG-CG1 4Å; P496-W513 VanDerWaalsContact CA-CD1 3.49Å; P496-W513 HydrophobicContact CB-CB 3.74Å; P496-W513 HydrophobicContact CB-CD2 3.98Å; P496-W513 HydrophobicContact CB-CG 3.53Å
497	P	97.9	Very high	96.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.3	-30	-173.9	27	-36.2	0	0	0	113.7	L499 L500 L501 W513 L538 W553 L596	P497-L499 VanDerWaalsContact C-N 3.31Å; P497-L499 PolarHBondContact O-N 3.13Å; P497-L500 PolarHBondContact O-N 2.92Å; P497-L501 WeakPolarHBondContact O-CB 3.38Å; P497-L501 WeakPolarHBondContact O-CG 3.37Å; P497-L501 PolarHBondContact O-N 3.42Å; P497-W513 HydrophobicContact CG-CH2 4.19Å; P497-W513 HydrophobicContact CG-CZ3 4.13Å; P497-L538 HydrophobicContact CB-CD1 3.95Å; P497-W553 HydrophobicContact CB-CH2 4.44Å; P497-W553 HydrophobicContact CB-CZ3 4.05Å; P497-W553 HydrophobicContact CG-CH2 4.39Å; P497-W553 HydrophobicContact CG-CZ3 4.08Å; P497-L596 HydrophobicContact CG-CD2 4.13Å
498	E	97.9	Very high	96.9	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.019	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-36.8	176.4	62.3	-84.5	-163.3	0	0	112.6	P496 L501 G502 E503 V510 W553 P598 R601	P496-E498 VanDerWaalsContact C-N 3.32Å; P496-E498 WeakPolarHBondContact CB-OE1 3.27Å; P496-E498 WeakPolarHBondContact CB-OE2 3.31Å; P496-E498 HydrophobicContact CG-CG 4.37Å; P496-E498 WeakPolarHBondContact CG-OE1 3.34Å; P496-E498 PolarHBondContact O-N 2.99Å; E498-L501 PolarHBondContact O-N 2.84Å; E498-G502 PolarHBondContact O-N 3.41Å; E498-E503 HydrophobicContact CB-CB 4Å; E498-E503 WeakPolarHBondContact O-CB 3.42Å; E498-E503 PolarHBondContact O-N 2.89Å; E498-V510 HydrophobicContact CG-CG1 4.37Å; E498-V510 WeakPolarHBondContact OE1-CG1 3.35Å; E498-W553 HydrophobicContact CB-CH2 3.78Å; E498-W553 HydrophobicContact CB-CZ2 3.95Å; E498-P598 HydrophobicContact CB-CG 3.99Å; E498-P598 VanDerWaalsContact CD-CG 3.47Å; E498-P598 HydrophobicContact CG-CG 3.89Å; E498-R601 IonicContact OE1-CZ 3.91Å; E498-R601 IonicContact OE1-NH1 2.8Å; E498-R601 PolarHBondContact OE1-NH1 2.69Å; E498-R601 IonicContact OE1-NH2 2.69Å; E498-R601 IonicContact OE2-CZ 3.25Å; E498-R601 IonicContact OE2-NH1 3.77Å; E498-R601 PolarHBondContact OE2-NH1 3.39Å; E498-R601 IonicContact OE2-NH2 2.78Å; E498-R601 PolarHBondContact OE2-NH2 3.42Å
499	L	98	Very high	97	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-74	-35.6	175.7	-63.3	-173.2	0	0	0	111.4	N487 V489 I490 R495 P496 P497 L501 G502 Y506 V510	N487-L499 PolarHBondContact ND2-O 2.74Å; V489-L499 HydrophobicContact CG2-CD1 3.68Å; I490-L499 HydrophobicContact CD1-CD1 3.99Å; R495-L499 HydrophobicContact CG-CB 3.76Å; R495-L499 HydrophobicContact CG-CD1 4.15Å; P496-L499 HydrophobicContact CG-CB 4.37Å; P496-L499 HydrophobicContact CG-CD1 4.04Å; P496-L499 HydrophobicContact CG-CG 3.92Å; P496-L499 PolarHBondContact O-N 3.18Å; P497-L499 VanDerWaalsContact C-N 3.31Å; P497-L499 PolarHBondContact O-N 3.13Å; L499-L501 VanDerWaalsContact C-N 3.26Å; L499-L501 PolarHBondContact O-N 3.47Å; L499-G502 PolarHBondContact O-N 2.83Å; L499-Y506 HydrophobicContact CD2-CD1 3.29Å; L499-Y506 HydrophobicContact CD2-CD2 4.45Å; L499-Y506 HydrophobicContact CD2-CE1 3.56Å; L499-Y506 HydrophobicContact CD2-CG 3.78Å; L499-V510 HydrophobicContact CD1-CG1 4.39Å; L499-V510 HydrophobicContact CG-CG1 4.36Å
500	L	97.6	Very high	97.1	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-66.2	-28.4	173.8	-63.9	170.7	0	0	0	112.5	L492 R495 P496 P497 E534 Q537 L538 I541	L492-L500 HydrophobicContact CD1-CD2 3.84Å; R495-L500 HydrophobicContact CG-CD2 4.36Å; R495-L500 HydrophobicContact CG-CG 4.3Å; P496-L500 PolarHBondContact O-N 2.79Å; P497-L500 PolarHBondContact O-N 2.92Å; L500-E534 HydrophobicContact CD2-CB 3.96Å; L500-E534 HydrophobicContact CD2-CG 4.05Å; L500-Q537 HydrophobicContact CD1-CB 4.15Å; L500-Q537 HydrophobicContact CD1-CG 3.76Å; L500-Q537 HydrophobicContact CD2-CB 4.31Å; L500-Q537 HydrophobicContact CD2-CG 4.31Å; L500-L538 HydrophobicContact CB-CD1 4.31Å; L500-L538 HydrophobicContact CD1-CB 4.26Å; L500-L538 HydrophobicContact CD1-CD1 4.26Å; L500-I541 HydrophobicContact CD1-CD1 3.64Å
501	L	97.2	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.7	176.4	-70.2	170.4	0	0	0	113.9	P497 E498 L499 L538 P548 W553 V556 L559 P560 F561 I565	P497-L501 WeakPolarHBondContact O-CB 3.38Å; P497-L501 WeakPolarHBondContact O-CG 3.37Å; P497-L501 PolarHBondContact O-N 3.42Å; E498-L501 PolarHBondContact O-N 2.84Å; L499-L501 VanDerWaalsContact C-N 3.26Å; L499-L501 PolarHBondContact O-N 3.47Å; L501-L538 HydrophobicContact CD2-CD2 3.74Å; L501-L538 HydrophobicContact CG-CD2 4.21Å; L501-P548 HydrophobicContact CD1-CB 4.49Å; L501-P548 HydrophobicContact CD1-CG 4.36Å; L501-W553 HydrophobicContact CD1-CH2 4.04Å; L501-W553 HydrophobicContact CD1-CZ3 3.76Å; L501-V556 HydrophobicContact CD1-CG2 3.8Å; L501-L559 HydrophobicContact CB-CB 3.9Å; L501-L559 HydrophobicContact CB-CD1 3.73Å; L501-L559 HydrophobicContact CB-CG 4.44Å; L501-L559 HydrophobicContact CD1-CD1 3.79Å; L501-L559 HydrophobicContact CG-CD1 4.42Å; L501-L559 CarbonylContact O-C 3.6Å; L501-P560 WeakPolarHBondContact O-CD 3.34Å; L501-F561 PolarHBondContact O-N 3.03Å; L501-I565 HydrophobicContact CD2-CD1 4.49Å
502	G	96.4	Very high	97.4	Very high	6 Å²	6	25 Å²	25	6%	0.062	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	14.2	170.8	0	0	0	0	0	116.3	N487 E498 L499	N487-G502 VanDerWaalsContact ND2-C 3.33Å; N487-G502 WeakPolarHBondContact ND2-CA 3.23Å; E498-G502 PolarHBondContact O-N 3.41Å; L499-G502 PolarHBondContact O-N 2.83Å
503	E	96.2	Very high	97.4	Very high	51 Å²	51	23.7 Å²	23.7	24%	0.238	11%	0.111	C	C	.	.			trans	-63.2	135.7	178	-175.8	57.3	-83.8	0	0	112.1	N487 E498 R505 L559	N487-E503 PolarHBondContact ND2-N 2.87Å; N487-E503 PolarHBondContact ND2-O 3.13Å; E498-E503 HydrophobicContact CB-CB 4Å; E498-E503 WeakPolarHBondContact O-CB 3.42Å; E498-E503 PolarHBondContact O-N 2.89Å; E503-R505 WeakPolarHBondContact OE1-CB 3.49Å; E503-R505 PolarHBondContact OE1-N 3.3Å; E503-L559 HydrophobicContact CB-CD2 4.03Å; E503-L559 HydrophobicContact CG-CD2 4.47Å
504	E	95.6	Very high	97.4	Very high	91 Å²	91	19.5 Å²	19.5	43%	0.425	10%	0.095	S	C	.	.	S	Bend	trans	-112.2	-21.5	173.1	-65.1	-158	134.8	0	0	112.5	P484 Y485 N487 Y506	P484-E504 HydrophobicContact CB-CB 3.87Å; P484-E504 WeakPolarHBondContact CB-OE2 3.37Å; Y485-E504 WeakPolarHBondContact CD2-O 3.38Å; Y485-E504 PolarHBondContact N-O 3.13Å; N487-E504 HydrophobicContact CB-CG 4.11Å; E504-Y506 VanDerWaalsContact C-N 3.29Å; E504-Y506 PolarHBondContact O-N 3.32Å
505	R	94	Very high	97.4	Very high	138 Å²	138	19 Å²	19	52%	0.521	9%	0.093	S	C	.	.	S	Bend	trans	-95.7	27.5	-173.3	-53.1	-180	-177.4	-72.6	-0.9	112.6	E482 E503	E482-R505 PolarHBondContact O-NH1 2.64Å; E503-R505 WeakPolarHBondContact OE1-CB 3.49Å; E503-R505 PolarHBondContact OE1-N 3.3Å
506	Y	94.9	Very high	97.4	Very high	9 Å²	9	17.9 Å²	17.9	4%	0.035	9%	0.089	C	C	.	.			trans	-72.9	164.7	-174	59.8	-96.1	0	0	0	113.4	L448 R450 Y476 Y485 T486 V489 L499 E504 V510	L448-Y506 HydrophobicContact CD1-CD2 4.12Å; L448-Y506 HydrophobicContact CD1-CE2 3.99Å; R450-Y506 HydrophobicContact CG-CE2 4.45Å; R450-Y506 PolarHBondContact NH1-OH 2.91Å; Y476-Y506 WeakPolarHBondContact CE2-O 3.41Å; Y485-Y506 WeakPolarHBondContact CB-OH 3.37Å; T486-Y506 PolarHBondContact O-OH 3.09Å; V489-Y506 WeakPolarHBondContact CG2-OH 3.39Å; L499-Y506 HydrophobicContact CD2-CD1 3.29Å; L499-Y506 HydrophobicContact CD2-CD2 4.45Å; L499-Y506 HydrophobicContact CD2-CE1 3.56Å; L499-Y506 HydrophobicContact CD2-CG 3.78Å; E504-Y506 VanDerWaalsContact C-N 3.29Å; E504-Y506 PolarHBondContact O-N 3.32Å; Y506-V510 HydrophobicContact CD2-CG1 3.75Å; Y506-V510 HydrophobicContact CD2-CG2 4.11Å; Y506-V510 HydrophobicContact CE2-CG2 4.44Å; Y506-V510 HydrophobicContact CG-CG1 3.98Å
507	G	95.5	Very high	97.5	Very high	14 Å²	14	18 Å²	18	14%	0.144	9%	0.09	C	C	.	.			trans	-137.9	-159.6	-178.1	0	0	0	0	0	113.6	A509 V510	G507-A509 PolarHBondContact O-N 2.85Å; G507-V510 WeakPolarHBondContact O-CG2 3.11Å; G507-V510 PolarHBondContact O-N 3.01Å
508	P	97.3	Very high	97.5	Very high	40 Å²	40	18 Å²	18	26%	0.26	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-28.1	-172.5	-33.4	38.8	0	0	0	116.9	H443 L448 Y476 V510 D511	H443-P508 PolarHBondContact CE1-O 3.38Å; L448-P508 HydrophobicContact CD2-CB 4.27Å; L448-P508 HydrophobicContact CD2-CG 3.88Å; Y476-P508 HydrophobicContact CD1-CG 4.24Å; Y476-P508 HydrophobicContact CE1-CG 4.11Å; P508-V510 PolarHBondContact O-N 3.21Å; P508-V510 VanDerWaalsContact O-N 3.11Å; P508-D511 PolarHBondContact O-N 2.82Å; P508-D511 VanDerWaalsContact O-N 3.15Å
509	A	98	Very high	97.5	Very high	17 Å²	17	17.8 Å²	17.8	14%	0.14	9%	0.089	C	C	.	.	H	α-helix	trans	-57.4	-23.6	179.9	0	0	0	0	0	114.6	G507 D511 I512 W513 P598 R601	G507-A509 PolarHBondContact O-N 2.85Å; A509-D511 VanDerWaalsContact C-N 3.33Å; A509-D511 PolarHBondContact O-N 3.34Å; A509-I512 PolarHBondContact O-N 3.27Å; A509-W513 PolarHBondContact O-N 3Å; A509-P598 HydrophobicContact CB-CB 3.94Å; A509-R601 WeakPolarHBondContact O-CD 3.33Å; A509-R601 PolarHBondContact O-NH1 3.14Å
510	V	98.5	Very high	97.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.8	-36.3	177.8	-56.4	0	0	0	0	112.4	I490 P496 E498 L499 Y506 G507 P508 S514	I490-V510 HydrophobicContact CD1-CB 3.87Å; I490-V510 HydrophobicContact CD1-CG2 4.08Å; P496-V510 HydrophobicContact CG-CB 3.93Å; P496-V510 HydrophobicContact CG-CG1 4Å; E498-V510 HydrophobicContact CG-CG1 4.37Å; E498-V510 WeakPolarHBondContact OE1-CG1 3.35Å; L499-V510 HydrophobicContact CD1-CG1 4.39Å; L499-V510 HydrophobicContact CG-CG1 4.36Å; Y506-V510 HydrophobicContact CD2-CG1 3.75Å; Y506-V510 HydrophobicContact CD2-CG2 4.11Å; Y506-V510 HydrophobicContact CE2-CG2 4.44Å; Y506-V510 HydrophobicContact CG-CG1 3.98Å; G507-V510 WeakPolarHBondContact O-CG2 3.11Å; G507-V510 PolarHBondContact O-N 3.01Å; P508-V510 PolarHBondContact O-N 3.21Å; P508-V510 VanDerWaalsContact O-N 3.11Å; V510-S514 PolarHBondContact O-N 2.9Å; V510-S514 PolarHBondContact O-OG 3.1Å
511	D	98.8	Very high	97.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-74.1	-35	178.2	-67.7	-34.6	0	0	0	110.4	L439 H443 L448 H449 R450 I452 P508 A509 S514 C515	L439-D511 HydrophobicContact CD1-CB 3.96Å; L439-D511 HydrophobicContact CD2-CB 3.92Å; L439-D511 HydrophobicContact CG-CB 4.5Å; H443-D511 IonicContact CD2-OD2 3.24Å; H443-D511 IonicContact CE1-OD2 3.25Å; H443-D511 IonicContact NE2-OD2 2.78Å; H443-D511 PolarHBondContact NE2-OD2 2.9Å; L448-D511 WeakPolarHBondContact CA-OD2 3.46Å; H449-D511 PolarHBondContact N-OD1 3.34Å; H449-D511 PolarHBondContact N-OD2 3.03Å; R450-D511 PolarHBondContact N-OD1 3.19Å; I452-D511 HydrophobicContact CD1-CB 3.76Å; P508-D511 PolarHBondContact O-N 2.82Å; P508-D511 VanDerWaalsContact O-N 3.15Å; A509-D511 VanDerWaalsContact C-N 3.33Å; A509-D511 PolarHBondContact O-N 3.34Å; D511-S514 WeakPolarHBondContact O-CB 3.37Å; D511-S514 PolarHBondContact O-N 3.1Å; D511-C515 PolarHBondContact O-N 2.96Å
512	I	98.9	Very high	97.5	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-65	-43.8	178.2	-51.6	-59.8	0	0	0	111.7	L439 A509 S514 C515 G516 M593 R601 C602 A604	L439-I512 HydrophobicContact CD2-CD1 3.86Å; A509-I512 PolarHBondContact O-N 3.27Å; I512-S514 VanDerWaalsContact C-N 3.26Å; I512-S514 PolarHBondContact O-N 3.08Å; I512-C515 CarbonylContact O-C 3.56Å; I512-C515 WeakPolarHBondContact O-CA 3.5Å; I512-C515 WeakPolarHBondContact O-CB 3.5Å; I512-C515 PolarHBondContact O-N 3.14Å; I512-C515 VanDerWaalsContact O-N 3.12Å; I512-G516 PolarHBondContact O-N 3.38Å; I512-M593 HydrophobicContact CG2-CB 4.15Å; I512-M593 HydrophobicContact CG2-CE 3.89Å; I512-M593 HydrophobicContact CG2-CG 3.94Å; I512-R601 HydrophobicContact CG2-CG 4.49Å; I512-C602 WeakPolarHBondContact CG2-O 3.36Å; I512-A604 HydrophobicContact CD1-CB 3.78Å; I512-A604 VanDerWaalsContact CD1-N 3.34Å
513	W	98.9	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.6	-43.2	174.8	177.7	-80.6	0	0	0	111.2	R495 P496 P497 A509 C515 G516 C517 F529 I541 C545 L594 L596	R495-W513 PolarHBondContact O-NE1 3.39Å; P496-W513 VanDerWaalsContact CA-CD1 3.49Å; P496-W513 HydrophobicContact CB-CB 3.74Å; P496-W513 HydrophobicContact CB-CD2 3.98Å; P496-W513 HydrophobicContact CB-CG 3.53Å; P497-W513 HydrophobicContact CG-CH2 4.19Å; P497-W513 HydrophobicContact CG-CZ3 4.13Å; A509-W513 PolarHBondContact O-N 3Å; W513-C515 VanDerWaalsContact C-N 3.32Å; W513-C515 PolarHBondContact O-N 3.2Å; W513-G516 WeakPolarHBondContact O-CA 3.35Å; W513-G516 PolarHBondContact O-N 3.02Å; W513-C517 PolarHBondContact O-N 3.47Å; W513-F529 HydrophobicContact CZ2-CD2 4.44Å; W513-F529 AromaticContact CZ2-CE2 3.89Å; W513-F529 HydrophobicContact CZ2-CE2 3.89Å; W513-F529 HydrophobicContact CZ2-CZ 4.39Å; W513-I541 HydrophobicContact CH2-CG2 3.63Å; W513-I541 HydrophobicContact CZ2-CD1 3.87Å; W513-I541 HydrophobicContact CZ2-CG1 4.01Å; W513-I541 HydrophobicContact CZ2-CG2 3.72Å; W513-C545 HydrophobicContact CH2-CB 4.47Å; W513-L594 HydrophobicContact CD2-CD2 3.55Å; W513-L594 HydrophobicContact CE3-CB 4.4Å; W513-L594 HydrophobicContact CE3-CD2 3.71Å; W513-L594 HydrophobicContact CG-CD2 4.01Å; W513-L594 HydrophobicContact CH2-CD2 4.24Å; W513-L594 HydrophobicContact CZ2-CD2 4.1Å; W513-L594 HydrophobicContact CZ3-CB 4.14Å; W513-L594 HydrophobicContact CZ3-CD2 4.06Å; W513-L596 HydrophobicContact CH2-CD2 4.14Å; W513-L596 HydrophobicContact CZ3-CD2 4.35Å
514	S	98.9	Very high	97.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.9	-41.9	176	-52.9	0	0	0	0	111.6	Y494 V510 D511 I512 G516 C517 I518	Y494-S514 PolarHBondContact O-OG 3.11Å; V510-S514 PolarHBondContact O-N 2.9Å; V510-S514 PolarHBondContact O-OG 3.1Å; D511-S514 WeakPolarHBondContact O-CB 3.37Å; D511-S514 PolarHBondContact O-N 3.1Å; I512-S514 VanDerWaalsContact C-N 3.26Å; I512-S514 PolarHBondContact O-N 3.08Å; S514-G516 VanDerWaalsContact C-N 3.33Å; S514-C517 WeakPolarHBondContact O-CB 3.45Å; S514-C517 PolarHBondContact O-N 3.34Å; S514-I518 WeakPolarHBondContact O-CG1 3.44Å; S514-I518 PolarHBondContact O-N 3.35Å; S514-I518 VanDerWaalsContact O-N 3.13Å
515	C	98.8	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.5	-30.2	171.9	-69	0	0	0	0	113.3	L435 L436 D511 I512 W513 I518 L519 M593	L435-C515 HydrophobicContact CD2-CB 4.47Å; L436-C515 HydrophobicContact CD2-CB 4.45Å; D511-C515 PolarHBondContact O-N 2.96Å; I512-C515 CarbonylContact O-C 3.56Å; I512-C515 WeakPolarHBondContact O-CA 3.5Å; I512-C515 WeakPolarHBondContact O-CB 3.5Å; I512-C515 PolarHBondContact O-N 3.14Å; I512-C515 VanDerWaalsContact O-N 3.12Å; W513-C515 VanDerWaalsContact C-N 3.32Å; W513-C515 PolarHBondContact O-N 3.2Å; C515-I518 PolarHBondContact O-N 2.93Å; C515-L519 PolarHBondContact O-N 2.91Å; C515-M593 HydrophobicContact CB-CE 3.44Å; C515-M593 VanDerWaalsContact CB-CE 3.44Å
516	G	98.7	Very high	97.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.4	-45.1	173.2	0	0	0	0	0	111.7	I512 W513 S514 I518 L519 G520 L590	I512-G516 PolarHBondContact O-N 3.38Å; W513-G516 WeakPolarHBondContact O-CA 3.35Å; W513-G516 PolarHBondContact O-N 3.02Å; S514-G516 VanDerWaalsContact C-N 3.33Å; G516-I518 VanDerWaalsContact C-N 3.28Å; G516-I518 PolarHBondContact O-N 3.02Å; G516-L519 WeakPolarHBondContact O-CB 3.34Å; G516-L519 PolarHBondContact O-N 2.73Å; G516-L519 VanDerWaalsContact O-N 3.17Å; G516-G520 PolarHBondContact O-N 3.17Å; G516-L590 WeakPolarHBondContact O-CD1 3.46Å
517	C	98.7	Very high	97.4	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-55.5	-44.1	170.8	-66.7	0	0	0	0	111.8	Y494 W513 S514 E521 F529	Y494-C517 HydrophobicContact CD1-CB 3.66Å; Y494-C517 HydrophobicContact CE1-CB 4.23Å; W513-C517 PolarHBondContact O-N 3.47Å; S514-C517 WeakPolarHBondContact O-CB 3.45Å; S514-C517 PolarHBondContact O-N 3.34Å; C517-E521 VanDerWaalsContact O-CB 3.23Å; C517-E521 WeakPolarHBondContact O-CB 3.42Å; C517-E521 PolarHBondContact O-N 3.04Å; C517-F529 VanDerWaalsContact SG-CD2 3.58Å
518	I	98.6	Very high	97.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.9	-36.9	177.7	-67.6	176.2	0	0	0	112.1	L412 L435 I452 I457 Y494 S514 C515 G516 E521 M522	L412-I518 HydrophobicContact CD2-CG2 3.63Å; L435-I518 HydrophobicContact CD2-CG2 4.36Å; I452-I518 HydrophobicContact CG2-CD1 3.52Å; I457-I518 HydrophobicContact CD1-CD1 4.33Å; I457-I518 HydrophobicContact CG1-CD1 3.89Å; Y494-I518 HydrophobicContact CD1-CG1 4Å; Y494-I518 HydrophobicContact CE1-CG1 3.77Å; S514-I518 WeakPolarHBondContact O-CG1 3.44Å; S514-I518 PolarHBondContact O-N 3.35Å; S514-I518 VanDerWaalsContact O-N 3.13Å; C515-I518 PolarHBondContact O-N 2.93Å; G516-I518 VanDerWaalsContact C-N 3.28Å; G516-I518 PolarHBondContact O-N 3.02Å; I518-E521 PolarHBondContact O-N 2.89Å; I518-M522 HydrophobicContact CG2-CE 4.19Å; I518-M522 HydrophobicContact CG2-CG 4.46Å; I518-M522 WeakPolarHBondContact O-CG 3.41Å; I518-M522 PolarHBondContact O-N 2.7Å
519	L	98.4	Very high	97.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.6	-52.2	176.1	171.1	53.5	0	0	0	111.6	I428 M432 C515 G516 E521 M522 F523 L589 L590 M593 W612	I428-L519 HydrophobicContact CG2-CD1 4.2Å; M432-L519 HydrophobicContact CE-CB 3.99Å; M432-L519 HydrophobicContact CE-CD2 4.42Å; M432-L519 HydrophobicContact CG-CD1 3.94Å; M432-L519 HydrophobicContact SD-CB 3.95Å; M432-L519 HydrophobicContact SD-CD1 4.3Å; C515-L519 PolarHBondContact O-N 2.91Å; G516-L519 WeakPolarHBondContact O-CB 3.34Å; G516-L519 PolarHBondContact O-N 2.73Å; G516-L519 VanDerWaalsContact O-N 3.17Å; L519-E521 VanDerWaalsContact C-N 3.33Å; L519-E521 PolarHBondContact O-N 3.48Å; L519-M522 PolarHBondContact O-N 3.13Å; L519-F523 HydrophobicContact CD1-CD2 3.95Å; L519-F523 HydrophobicContact CD1-CE2 3.7Å; L519-F523 WeakPolarHBondContact O-CD2 3.46Å; L519-F523 PolarHBondContact O-N 3.05Å; L519-L589 HydrophobicContact CD2-CB 4.47Å; L519-L589 HydrophobicContact CD2-CD2 4.2Å; L519-L589 HydrophobicContact CD2-CG 4.15Å; L519-L590 HydrophobicContact CB-CD1 4.15Å; L519-L590 HydrophobicContact CD2-CB 3.95Å; L519-L590 HydrophobicContact CD2-CD1 4.15Å; L519-L590 HydrophobicContact CG-CB 4.45Å; L519-L590 HydrophobicContact CG-CD1 4.09Å; L519-M593 HydrophobicContact CD2-SD 4.06Å; L519-W612 HydrophobicContact CD1-CH2 3.88Å; L519-W612 HydrophobicContact CD1-CZ3 3.79Å
520	G	97.8	Very high	97.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.3	-31.1	177.2	0	0	0	0	0	113.4	G516 F523 T524 M528	G516-G520 PolarHBondContact O-N 3.17Å; G520-F523 PolarHBondContact O-N 3.29Å; G520-T524 WeakPolarHBondContact O-CB 3.42Å; G520-T524 PolarHBondContact O-N 3Å; G520-T524 PolarHBondContact O-OG1 3.34Å; G520-M528 VanDerWaalsContact CA-SD 3.59Å
521	E	97.1	Very high	97.4	Very high	5 Å²	5	22 Å²	22	2%	0.023	10%	0.099	C	C	.	.	H	α-helix	trans	-66.7	-37.1	173	-178.8	174.7	158.3	0	0	112.5	L416 C454 Y494 C517 I518 L519 F523 R525 R526 P527	L416-E521 HydrophobicContact CD1-CG 3.96Å; C454-E521 PolarHBondContact SG-OE1 2.77Å; Y494-E521 VanDerWaalsContact CE1-OE2 3.28Å; Y494-E521 WeakPolarHBondContact CE1-OE2 3.11Å; Y494-E521 VanDerWaalsContact CZ-OE2 3.31Å; Y494-E521 PolarHBondContact OH-OE1 3.41Å; Y494-E521 PolarHBondContact OH-OE2 3.13Å; C517-E521 VanDerWaalsContact O-CB 3.23Å; C517-E521 WeakPolarHBondContact O-CB 3.42Å; C517-E521 PolarHBondContact O-N 3.04Å; I518-E521 PolarHBondContact O-N 2.89Å; L519-E521 VanDerWaalsContact C-N 3.33Å; L519-E521 PolarHBondContact O-N 3.48Å; E521-F523 PolarHBondContact O-N 2.93Å; E521-R525 WeakPolarHBondContact O-CA 3.41Å; E521-R525 PolarHBondContact O-N 2.91Å; E521-R526 WeakPolarHBondContact CA-O 3.49Å; E521-P527 WeakPolarHBondContact OE2-CA 3.47Å
522	M	97.1	Very high	97.3	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.034	13%	0.13	C	C	.	.	H	α-helix	trans	-65.7	-35.6	175.3	-78.9	-162.7	-74.1	0	0	113.3	L412 I428 L431 M432 I518 L519	L412-M522 HydrophobicContact CD1-CG 4.06Å; L412-M522 HydrophobicContact CD1-SD 4.01Å; L412-M522 HydrophobicContact CD2-CG 3.87Å; L412-M522 HydrophobicContact CD2-SD 3.87Å; L412-M522 HydrophobicContact CG-CG 4.45Å; I428-M522 HydrophobicContact CD1-CB 4.29Å; I428-M522 HydrophobicContact CG1-CB 4.29Å; I428-M522 HydrophobicContact CG2-CB 3.88Å; I428-M522 HydrophobicContact CG2-CE 3.78Å; I428-M522 HydrophobicContact CG2-SD 4.19Å; L431-M522 HydrophobicContact CB-CE 4.42Å; L431-M522 HydrophobicContact CB-SD 4.22Å; L431-M522 HydrophobicContact CD1-SD 4.06Å; M432-M522 HydrophobicContact CG-CE 3.62Å; M432-M522 HydrophobicContact SD-CE 3.36Å; M432-M522 WeakPolarHBondContact SD-CE 3.49Å; I518-M522 HydrophobicContact CG2-CE 4.19Å; I518-M522 HydrophobicContact CG2-CG 4.46Å; I518-M522 WeakPolarHBondContact O-CG 3.41Å; I518-M522 PolarHBondContact O-N 2.7Å; L519-M522 PolarHBondContact O-N 3.13Å
523	F	96.6	Very high	97.1	Very high	45 Å²	45	32.3 Å²	32.3	20%	0.197	16%	0.157	C	C	.	.	H	α-helix	trans	-76.3	-41.2	175.1	-83.6	-77	0	0	0	112.9	E425 I428 L519 G520 E521 I582 P583 A586 W612	E425-F523 HydrophobicContact CG-CZ 4.36Å; I428-F523 HydrophobicContact CB-CE2 4.47Å; I428-F523 HydrophobicContact CB-CZ 4.45Å; I428-F523 HydrophobicContact CD1-CD1 3.62Å; I428-F523 HydrophobicContact CD1-CD2 4.05Å; I428-F523 HydrophobicContact CD1-CE1 3.71Å; I428-F523 HydrophobicContact CD1-CE2 4.12Å; I428-F523 HydrophobicContact CD1-CG 3.8Å; I428-F523 HydrophobicContact CD1-CZ 3.96Å; I428-F523 HydrophobicContact CG2-CD2 4.19Å; I428-F523 HydrophobicContact CG2-CE2 3.82Å; I428-F523 HydrophobicContact CG2-CZ 4.28Å; L519-F523 HydrophobicContact CD1-CD2 3.95Å; L519-F523 HydrophobicContact CD1-CE2 3.7Å; L519-F523 WeakPolarHBondContact O-CD2 3.46Å; L519-F523 PolarHBondContact O-N 3.05Å; G520-F523 PolarHBondContact O-N 3.29Å; E521-F523 PolarHBondContact O-N 2.93Å; F523-I582 HydrophobicContact CB-CD1 3.73Å; F523-I582 HydrophobicContact CB-CG1 3.72Å; F523-I582 HydrophobicContact CD1-CG1 4.29Å; F523-I582 HydrophobicContact CD2-CD1 3.87Å; F523-I582 HydrophobicContact CD2-CG1 4.06Å; F523-I582 HydrophobicContact CD2-CG2 3.89Å; F523-I582 HydrophobicContact CE1-CG2 4.48Å; F523-I582 HydrophobicContact CE2-CG2 3.82Å; F523-I582 HydrophobicContact CG-CB 4.49Å; F523-I582 HydrophobicContact CG-CD1 3.95Å; F523-I582 HydrophobicContact CG-CG1 3.78Å; F523-I582 HydrophobicContact CG-CG2 4.26Å; F523-I582 HydrophobicContact CZ-CG2 4.13Å; F523-P583 VanDerWaalsContact CE1-CD 3.41Å; F523-P583 HydrophobicContact CE1-CG 4.07Å; F523-P583 HydrophobicContact CZ-CG 4.31Å; F523-A586 HydrophobicContact CE2-CB 3.92Å; F523-A586 HydrophobicContact CZ-CB 3.91Å; F523-W612 AromaticContact CE2-CH2 3.96Å; F523-W612 HydrophobicContact CE2-CH2 3.96Å; F523-W612 HydrophobicContact CE2-CZ2 4.17Å; F523-W612 HydrophobicContact CZ-CH2 4.16Å; F523-W612 AromaticContact CZ-CZ2 3.91Å; F523-W612 HydrophobicContact CZ-CZ2 3.91Å
524	T	94.4	Very high	97	Very high	34 Å²	34	34.7 Å²	34.7	21%	0.209	17%	0.169	C	C	.	.	H	α-helix	trans	-97.4	-4.1	-172.8	63.3	0	0	0	0	114.8	G520 R526 Y579	G520-T524 WeakPolarHBondContact O-CB 3.42Å; G520-T524 PolarHBondContact O-N 3Å; G520-T524 PolarHBondContact O-OG1 3.34Å; T524-R526 PolarHBondContact O-N 3.49Å; T524-R526 PolarHBondContact OG1-O 3.13Å; T524-Y579 HydrophobicContact CG2-CD1 3.8Å; T524-Y579 HydrophobicContact CG2-CE1 3.71Å
525	R	94.2	Very high	96.7	Very high	89 Å²	89	38.6 Å²	38.6	34%	0.336	19%	0.193	S	C	.	.	S	Bend	trans	57.9	6.2	-174.6	-49.5	-173.3	69.9	105.9	12.5	116	L416 V421 E521	L416-R525 PolarHBondContact O-NH2 3.47Å; V421-R525 PolarHBondContact O-NH1 3.25Å; V421-R525 PolarHBondContact O-NH2 2.75Å; V421-R525 VanDerWaalsContact O-NH2 3.11Å; E521-R525 WeakPolarHBondContact O-CA 3.41Å; E521-R525 PolarHBondContact O-N 2.91Å
526	R	93.8	Very high	96.6	Very high	141 Å²	141	42.6 Å²	42.6	53%	0.532	21%	0.211	S	C	.	.	S	Bend	trans	-128	139.5	-179.7	64.3	-178.9	-176.4	153.7	2.1	109.8	E521 T524 M528	E521-R526 WeakPolarHBondContact CA-O 3.49Å; T524-R526 PolarHBondContact O-N 3.49Å; T524-R526 PolarHBondContact OG1-O 3.13Å; R526-M528 PolarHBondContact O-N 2.93Å
527	P	96.3	Very high	96.5	Very high	20 Å²	20	42.6 Å²	42.6	13%	0.13	21%	0.211	C	C	.	.			trans	-57.5	130.6	174.2	-23.9	31.7	0	0	0	111.1	W493 E521 F529 Q530	W493-P527 HydrophobicContact CE3-CB 3.89Å; W493-P527 HydrophobicContact CE3-CG 3.85Å; W493-P527 HydrophobicContact CZ3-CB 4.41Å; W493-P527 HydrophobicContact CZ3-CG 3.93Å; E521-P527 WeakPolarHBondContact OE2-CA 3.47Å; P527-F529 VanDerWaalsContact C-N 3.33Å; P527-F529 PolarHBondContact O-N 3.31Å; P527-Q530 HydrophobicContact CB-CG 3.87Å; P527-Q530 HydrophobicContact CG-CG 4.48Å; P527-Q530 PolarHBondContact O-NE2 3.48Å
528	M	97.1	Very high	96.4	Very high	13 Å²	13	42.7 Å²	42.7	6%	0.064	21%	0.212	C	C	.	.	S	Bend	trans	-62.1	-35.9	-169.8	-65.6	-178.8	76.5	0	0	114.1	G520 R526 Y579 L590 L594	G520-M528 VanDerWaalsContact CA-SD 3.59Å; R526-M528 PolarHBondContact O-N 2.93Å; M528-Y579 WeakPolarHBondContact CB-OH 3.46Å; M528-Y579 HydrophobicContact CE-CD1 4.28Å; M528-Y579 HydrophobicContact CE-CD2 4.1Å; M528-Y579 HydrophobicContact CE-CE1 3.73Å; M528-Y579 HydrophobicContact CE-CE2 3.56Å; M528-Y579 HydrophobicContact CE-CG 4.46Å; M528-Y579 HydrophobicContact CG-CE1 4.2Å; M528-L590 HydrophobicContact CE-CD1 4.15Å; M528-L590 HydrophobicContact CE-CD2 3.99Å; M528-L590 HydrophobicContact CE-CG 4.42Å; M528-L590 HydrophobicContact SD-CD1 4.14Å; M528-L594 HydrophobicContact CE-CD1 3.56Å; M528-L594 HydrophobicContact SD-CD1 3.86Å
529	F	97.9	Very high	96.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-132	98.7	-172.8	-49.1	-62.2	0	0	0	109.5	W493 W513 C517 P527 Q537 V540 I541 I544 L594	W493-F529 VanDerWaalsContact CA-O 3.29Å; W493-F529 WeakPolarHBondContact CA-O 3.38Å; W493-F529 VanDerWaalsContact CB-O 3.26Å; W493-F529 WeakPolarHBondContact CB-O 3.32Å; W513-F529 HydrophobicContact CZ2-CD2 4.44Å; W513-F529 AromaticContact CZ2-CE2 3.89Å; W513-F529 HydrophobicContact CZ2-CE2 3.89Å; W513-F529 HydrophobicContact CZ2-CZ 4.39Å; C517-F529 VanDerWaalsContact SG-CD2 3.58Å; P527-F529 VanDerWaalsContact C-N 3.33Å; P527-F529 PolarHBondContact O-N 3.31Å; F529-Q537 PolarHBondContact O-NE2 3.46Å; F529-Q537 PolarHBondContact O-OE1 3.16Å; F529-V540 HydrophobicContact CB-CG1 4.05Å; F529-V540 HydrophobicContact CD1-CG1 4.26Å; F529-I541 HydrophobicContact CB-CG1 4.14Å; F529-I541 HydrophobicContact CD1-CG1 4.03Å; F529-I541 HydrophobicContact CD2-CG1 4.07Å; F529-I541 HydrophobicContact CE1-CG1 4.44Å; F529-I541 HydrophobicContact CE2-CG1 4.49Å; F529-I541 HydrophobicContact CG-CG1 3.83Å; F529-I544 HydrophobicContact CD1-CD1 4.04Å; F529-I544 HydrophobicContact CE1-CB 4.03Å; F529-I544 HydrophobicContact CE1-CD1 3.76Å; F529-I544 HydrophobicContact CE1-CG1 4.47Å; F529-I544 HydrophobicContact CE1-CG2 4.14Å; F529-L594 HydrophobicContact CE2-CD1 4.12Å; F529-L594 HydrophobicContact CE2-CD2 4.27Å; F529-L594 HydrophobicContact CZ-CD1 4.06Å
530	Q	97.4	Very high	96.2	Very high	92 Å²	92	44.8 Å²	44.8	43%	0.43	22%	0.223	S	C	.	.			trans	-112.8	124.7	-178.5	-67.8	171.6	66.7	0	0	110.5	W493 P527	W493-Q530 HydrophobicContact CD2-CB 4.48Å; W493-Q530 HydrophobicContact CD2-CG 3.89Å; W493-Q530 HydrophobicContact CE3-CG 4.06Å; W493-Q530 HydrophobicContact CG-CG 4.36Å; W493-Q530 HydrophobicContact CH2-CG 4.32Å; W493-Q530 HydrophobicContact CZ2-CB 4.41Å; W493-Q530 HydrophobicContact CZ2-CG 4.18Å; W493-Q530 HydrophobicContact CZ3-CG 4.27Å; P527-Q530 HydrophobicContact CB-CG 3.87Å; P527-Q530 HydrophobicContact CG-CG 4.48Å; P527-Q530 PolarHBondContact O-NE2 3.48Å
531	A	97.1	Very high	96.1	Very high	13 Å²	13	44.9 Å²	44.9	11%	0.107	22%	0.223	C	C	.	.			trans	-149.9	166.6	174.6	0	0	0	0	0	109.1	W493 E536 Q537	W493-A531 PolarHBondContact NE1-O 3.17Å; A531-E536 VanDerWaalsContact CA-OE2 3.3Å; A531-E536 WeakPolarHBondContact CA-OE2 3.06Å; A531-E536 HydrophobicContact CB-CB 3.89Å; A531-E536 HydrophobicContact CB-CG 3.64Å; A531-E536 VanDerWaalsContact CB-OE2 3.28Å; A531-E536 WeakPolarHBondContact CB-OE2 3.21Å; A531-Q537 HydrophobicContact CB-CB 3.9Å; A531-Q537 VanDerWaalsContact CB-N 3.32Å
532	S	96	Very high	96.1	Very high	94 Å²	94	44.8 Å²	44.8	66%	0.657	22%	0.223	S	C	*	.	S	Bend	trans	-94.6	-32.2	167	60.2	0	0	0	0	112.8	L492 E536	L492-S532 VanDerWaalsContact CD2-O 3.28Å; L492-S532 WeakPolarHBondContact CD2-O 3.46Å; S532-E536 PolarHBondContact N-OE2 3.22Å
533	E	96	Very high	96.1	Very high	124 Å²	124	49.9 Å²	49.9	58%	0.579	24%	0.242	S	C	*	.	S	Bend	trans	-112.3	152.4	-171.9	-72.8	-58.6	151.7	0	0	113.8	V535 E536 Q537	E533-V535 VanDerWaalsContact C-N 3.31Å; E533-V535 PolarHBondContact O-N 3.26Å; E533-E536 HydrophobicContact CB-CB 4.22Å; E533-E536 PolarHBondContact O-N 2.89Å; E533-Q537 WeakPolarHBondContact O-CB 3.44Å; E533-Q537 PolarHBondContact O-N 3.06Å
534	E	95.6	Very high	96.1	Very high	50 Å²	50	48.6 Å²	48.6	23%	0.234	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-35.1	-177.5	-71.7	171.5	174.6	0	0	112.8	K488 L492 R495 L500 L538	K488-E534 IonicContact NZ-OE1 3.85Å; K488-E534 PolarHBondContact NZ-OE1 2.95Å; K488-E534 IonicContact NZ-OE2 2.7Å; K488-E534 PolarHBondContact NZ-OE2 3.4Å; L492-E534 HydrophobicContact CD1-CG 3.89Å; R495-E534 IonicContact CZ-OE1 3.72Å; R495-E534 IonicContact NH1-OE1 2.91Å; R495-E534 PolarHBondContact NH1-OE1 3.41Å; L500-E534 HydrophobicContact CD2-CB 3.96Å; L500-E534 HydrophobicContact CD2-CG 4.05Å; E534-L538 PolarHBondContact O-N 3.07Å
535	V	94.3	Very high	96.3	Very high	83 Å²	83	47 Å²	47	50%	0.503	23%	0.227	S	C	.	.	H	α-helix	trans	-71.5	-38.3	175.1	178.3	0	0	0	0	111.7	E533 L538 E539 I565	E533-V535 VanDerWaalsContact C-N 3.31Å; E533-V535 PolarHBondContact O-N 3.26Å; V535-L538 PolarHBondContact O-N 3.13Å; V535-E539 PolarHBondContact O-N 3.35Å; V535-I565 HydrophobicContact CG1-CG2 4.07Å; V535-I565 HydrophobicContact CG2-CD1 4.36Å; V535-I565 HydrophobicContact CG2-CG1 4.31Å
536	E	95.4	Very high	96.3	Very high	84 Å²	84	42.8 Å²	42.8	39%	0.393	21%	0.211	S	C	.	.	H	α-helix	trans	-70	-41.5	176.7	-178.1	-174	-135.4	0	0	111	A531 S532 E533 L538 E539 V540	A531-E536 VanDerWaalsContact CA-OE2 3.3Å; A531-E536 WeakPolarHBondContact CA-OE2 3.06Å; A531-E536 HydrophobicContact CB-CB 3.89Å; A531-E536 HydrophobicContact CB-CG 3.64Å; A531-E536 VanDerWaalsContact CB-OE2 3.28Å; A531-E536 WeakPolarHBondContact CB-OE2 3.21Å; S532-E536 PolarHBondContact N-OE2 3.22Å; E533-E536 HydrophobicContact CB-CB 4.22Å; E533-E536 PolarHBondContact O-N 2.89Å; E536-L538 VanDerWaalsContact C-N 3.27Å; E536-L538 PolarHBondContact O-N 2.93Å; E536-E539 WeakPolarHBondContact O-CA 3.19Å; E536-E539 WeakPolarHBondContact O-CB 3.42Å; E536-E539 PolarHBondContact O-N 3.16Å; E536-V540 HydrophobicContact CG-CG2 4.38Å; E536-V540 WeakPolarHBondContact O-CG2 3.43Å; E536-V540 PolarHBondContact O-N 3.09Å
537	Q	97.2	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.7	-42.5	175	-173.2	69.8	26.8	0	0	110.9	L492 L500 F529 A531 E533 V540 I541	L492-Q537 HydrophobicContact CD1-CB 3.83Å; L492-Q537 HydrophobicContact CD1-CG 3.82Å; L492-Q537 HydrophobicContact CD2-CB 4.36Å; L492-Q537 HydrophobicContact CG-CB 4.05Å; L492-Q537 HydrophobicContact CG-CG 3.95Å; L492-Q537 PolarHBondContact O-NE2 3.22Å; L500-Q537 HydrophobicContact CD1-CB 4.15Å; L500-Q537 HydrophobicContact CD1-CG 3.76Å; L500-Q537 HydrophobicContact CD2-CB 4.31Å; L500-Q537 HydrophobicContact CD2-CG 4.31Å; F529-Q537 PolarHBondContact O-NE2 3.46Å; F529-Q537 PolarHBondContact O-OE1 3.16Å; A531-Q537 HydrophobicContact CB-CB 3.9Å; A531-Q537 VanDerWaalsContact CB-N 3.32Å; E533-Q537 WeakPolarHBondContact O-CB 3.44Å; E533-Q537 PolarHBondContact O-N 3.06Å; Q537-V540 PolarHBondContact O-N 3.32Å; Q537-I541 HydrophobicContact CG-CD1 4.15Å; Q537-I541 WeakPolarHBondContact O-CB 3.39Å; Q537-I541 VanDerWaalsContact O-CG1 3.27Å; Q537-I541 WeakPolarHBondContact O-CG1 3.34Å; Q537-I541 PolarHBondContact O-N 3.04Å
538	L	96.2	Very high	96.2	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-66.5	-35.5	175.8	-169.3	66.8	0	0	0	112.2	P497 L500 L501 E534 V535 E536 S542 P548 I565	P497-L538 HydrophobicContact CB-CD1 3.95Å; L500-L538 HydrophobicContact CB-CD1 4.31Å; L500-L538 HydrophobicContact CD1-CB 4.26Å; L500-L538 HydrophobicContact CD1-CD1 4.26Å; L501-L538 HydrophobicContact CD2-CD2 3.74Å; L501-L538 HydrophobicContact CG-CD2 4.21Å; E534-L538 PolarHBondContact O-N 3.07Å; V535-L538 PolarHBondContact O-N 3.13Å; E536-L538 VanDerWaalsContact C-N 3.27Å; E536-L538 PolarHBondContact O-N 2.93Å; L538-S542 VanDerWaalsContact O-CB 3.32Å; L538-S542 WeakPolarHBondContact O-CB 3.44Å; L538-S542 PolarHBondContact O-N 3Å; L538-S542 PolarHBondContact O-OG 3.12Å; L538-P548 HydrophobicContact CD1-CG 4.48Å; L538-I565 HydrophobicContact CD2-CD1 4.18Å; L538-I565 HydrophobicContact CD2-CG2 4.02Å
539	E	95.5	Very high	95.9	Very high	24 Å²	24	37.6 Å²	37.6	11%	0.112	19%	0.192	C	C	.	.	H	α-helix	trans	-67	-43.5	173.6	-159	-164.5	143.2	0	0	111.9	V535 E536 S542 R543 K568 Y571	V535-E539 PolarHBondContact O-N 3.35Å; E536-E539 WeakPolarHBondContact O-CA 3.19Å; E536-E539 WeakPolarHBondContact O-CB 3.42Å; E536-E539 PolarHBondContact O-N 3.16Å; E539-S542 WeakPolarHBondContact O-CB 3.38Å; E539-S542 PolarHBondContact O-N 3.24Å; E539-S542 VanDerWaalsContact O-N 3.12Å; E539-R543 WeakPolarHBondContact O-CG 3.36Å; E539-R543 PolarHBondContact O-N 3.26Å; E539-R543 IonicContact OE1-CZ 2.73Å; E539-R543 IonicContact OE1-NE 2.64Å; E539-R543 PolarHBondContact OE1-NE 3.37Å; E539-R543 IonicContact OE1-NH2 2.72Å; E539-R543 PolarHBondContact OE1-NH2 3.19Å; E539-R543 IonicContact OE2-NH2 3.54Å; E539-K568 WeakPolarHBondContact OE2-CD 3.16Å; E539-K568 WeakPolarHBondContact OE2-CE 3.5Å; E539-K568 IonicContact OE2-NZ 2.76Å; E539-K568 PolarHBondContact OE2-NZ 2.88Å; E539-Y571 HydrophobicContact CG-CE2 4.12Å; E539-Y571 PolarHBondContact OE1-OH 3.34Å
540	V	96.5	Very high	95.8	Very high	20 Å²	20	40.1 Å²	40.1	12%	0.121	21%	0.209	C	C	.	.	H	α-helix	trans	-63.3	-41.3	177.9	172	0	0	0	0	111.3	F529 E536 Q537	F529-V540 HydrophobicContact CB-CG1 4.05Å; F529-V540 HydrophobicContact CD1-CG1 4.26Å; E536-V540 HydrophobicContact CG-CG2 4.38Å; E536-V540 WeakPolarHBondContact O-CG2 3.43Å; E536-V540 PolarHBondContact O-N 3.09Å; Q537-V540 PolarHBondContact O-N 3.32Å
541	I	97.7	Very high	95.5	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-46.7	170.1	-70.1	166.7	0	0	0	110.4	L500 W513 F529 Q537 R543 I544 C545 L596	L500-I541 HydrophobicContact CD1-CD1 3.64Å; W513-I541 HydrophobicContact CH2-CG2 3.63Å; W513-I541 HydrophobicContact CZ2-CD1 3.87Å; W513-I541 HydrophobicContact CZ2-CG1 4.01Å; W513-I541 HydrophobicContact CZ2-CG2 3.72Å; F529-I541 HydrophobicContact CB-CG1 4.14Å; F529-I541 HydrophobicContact CD1-CG1 4.03Å; F529-I541 HydrophobicContact CD2-CG1 4.07Å; F529-I541 HydrophobicContact CE1-CG1 4.44Å; F529-I541 HydrophobicContact CE2-CG1 4.49Å; F529-I541 HydrophobicContact CG-CG1 3.83Å; Q537-I541 HydrophobicContact CG-CD1 4.15Å; Q537-I541 WeakPolarHBondContact O-CB 3.39Å; Q537-I541 VanDerWaalsContact O-CG1 3.27Å; Q537-I541 WeakPolarHBondContact O-CG1 3.34Å; Q537-I541 PolarHBondContact O-N 3.04Å; I541-R543 VanDerWaalsContact C-N 3.31Å; I541-R543 PolarHBondContact O-N 3.44Å; I541-I544 PolarHBondContact O-N 3.34Å; I541-I544 VanDerWaalsContact O-N 3.15Å; I541-C545 HydrophobicContact CG2-CB 4.15Å; I541-C545 WeakPolarHBondContact O-CB 3.48Å; I541-C545 PolarHBondContact O-N 2.87Å; I541-L596 HydrophobicContact CG2-CD2 4.09Å
542	S	96.5	Very high	95.3	Very high	3 Å²	3	42 Å²	42	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-37.5	-176.6	-62.2	0	0	0	0	113.1	L538 E539 I544 G546 Y571	L538-S542 VanDerWaalsContact O-CB 3.32Å; L538-S542 WeakPolarHBondContact O-CB 3.44Å; L538-S542 PolarHBondContact O-N 3Å; L538-S542 PolarHBondContact O-OG 3.12Å; E539-S542 WeakPolarHBondContact O-CB 3.38Å; E539-S542 PolarHBondContact O-N 3.24Å; E539-S542 VanDerWaalsContact O-N 3.12Å; S542-I544 PolarHBondContact O-N 3.49Å; S542-I544 VanDerWaalsContact O-N 3.14Å; S542-G546 WeakPolarHBondContact CA-O 3.49Å; S542-G546 CarbonylContact O-C 3.54Å; S542-G546 VanDerWaalsContact O-C 3.28Å; S542-G546 VanDerWaalsContact O-CA 3.3Å; S542-G546 WeakPolarHBondContact O-CA 3.42Å; S542-G546 PolarHBondContact O-N 2.88Å; S542-G546 VanDerWaalsContact O-N 3.07Å; S542-Y571 WeakPolarHBondContact O-CB 3.45Å
543	R	96.3	Very high	95.3	Very high	115 Å²	115	38.1 Å²	38.1	43%	0.434	20%	0.202	S	C	.	.	H	α-helix	trans	-57.1	-26	177.6	-73.5	168.8	-172.7	179.8	4.5	114	E539 I541 Y571	E539-R543 WeakPolarHBondContact O-CG 3.36Å; E539-R543 PolarHBondContact O-N 3.26Å; E539-R543 IonicContact OE1-CZ 2.73Å; E539-R543 IonicContact OE1-NE 2.64Å; E539-R543 PolarHBondContact OE1-NE 3.37Å; E539-R543 IonicContact OE1-NH2 2.72Å; E539-R543 PolarHBondContact OE1-NH2 3.19Å; E539-R543 IonicContact OE2-NH2 3.54Å; I541-R543 VanDerWaalsContact C-N 3.31Å; I541-R543 PolarHBondContact O-N 3.44Å; R543-Y571 HydrophobicContact CB-CD1 4.48Å; R543-Y571 HydrophobicContact CB-CE1 4.41Å; R543-Y571 HydrophobicContact CG-CD1 4.1Å; R543-Y571 HydrophobicContact CG-CD2 4.48Å; R543-Y571 HydrophobicContact CG-CE1 3.59Å; R543-Y571 HydrophobicContact CG-CE2 3.99Å
544	I	97.2	Very high	95.2	Very high	17 Å²	17	35 Å²	35	9%	0.087	19%	0.192	C	C	.	.	H	α-helix	trans	-112.1	-51	-174.6	-67.1	166.4	0	0	0	111	F529 I541 S542 G546 R574 L575 E578 Y579	F529-I544 HydrophobicContact CD1-CD1 4.04Å; F529-I544 HydrophobicContact CE1-CB 4.03Å; F529-I544 HydrophobicContact CE1-CD1 3.76Å; F529-I544 HydrophobicContact CE1-CG1 4.47Å; F529-I544 HydrophobicContact CE1-CG2 4.14Å; I541-I544 PolarHBondContact O-N 3.34Å; I541-I544 VanDerWaalsContact O-N 3.15Å; S542-I544 PolarHBondContact O-N 3.49Å; S542-I544 VanDerWaalsContact O-N 3.14Å; I544-G546 VanDerWaalsContact C-N 3.35Å; I544-R574 PolarHBondContact O-N 3.34Å; I544-L575 HydrophobicContact CG2-CB 4.17Å; I544-L575 HydrophobicContact CG2-CG 4.49Å; I544-L575 PolarHBondContact O-N 3.41Å; I544-L575 VanDerWaalsContact O-N 3.13Å; I544-E578 HydrophobicContact CG1-CG 4.33Å; I544-Y579 HydrophobicContact CD1-CE2 4.32Å; I544-Y579 HydrophobicContact CG2-CE2 4Å
545	C	97.7	Very high	95	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	20%	0.199	C	C	.	.	H	α-helix	trans	-83.4	-10.5	-174.1	-68.4	0	0	0	0	113.8	W513 I541 R573 L596	W513-C545 HydrophobicContact CH2-CB 4.47Å; I541-C545 HydrophobicContact CG2-CB 4.15Å; I541-C545 WeakPolarHBondContact O-CB 3.48Å; I541-C545 PolarHBondContact O-N 2.87Å; C545-R573 WeakPolarHBondContact O-CB 3.46Å; C545-R573 VanDerWaalsContact O-CG 3.32Å; C545-R573 WeakPolarHBondContact O-CG 3.32Å; C545-R573 PolarHBondContact O-NH1 3.38Å; C545-L596 HydrophobicContact CB-CD2 3.67Å; C545-L596 HydrophobicContact CB-CG 4.28Å
546	G	95.8	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.			trans	94.6	155.6	-168.7	0	0	0	0	0	111.3	S542 I544 Y571 L596	S542-G546 WeakPolarHBondContact CA-O 3.49Å; S542-G546 CarbonylContact O-C 3.54Å; S542-G546 VanDerWaalsContact O-C 3.28Å; S542-G546 VanDerWaalsContact O-CA 3.3Å; S542-G546 WeakPolarHBondContact O-CA 3.42Å; S542-G546 PolarHBondContact O-N 2.88Å; S542-G546 VanDerWaalsContact O-N 3.07Å; I544-G546 VanDerWaalsContact C-N 3.35Å; G546-Y571 CarbonylContact C-O 3.58Å; G546-Y571 WeakPolarHBondContact CA-O 3.4Å; G546-L596 VanDerWaalsContact O-CD1 3.32Å; G546-L596 WeakPolarHBondContact O-CD1 3.4Å
547	Y	93.1	Very high	95	Very high	13 Å²	13	33.7 Å²	33.7	5%	0.051	18%	0.183	C	C	.	.			trans	-69.3	137.2	172.2	-175.8	-95.9	0	0	0	110.1	D549 Y562 P567 M570 Y571	Y547-D549 HydrophobicContact CD1-CB 4.35Å; Y547-D549 PolarHBondContact O-N 3.16Å; Y547-Y562 HydrophobicContact CE1-CE2 4.45Å; Y547-P567 HydrophobicContact CD2-CB 3.91Å; Y547-P567 HydrophobicContact CE1-CG 4.27Å; Y547-P567 HydrophobicContact CE2-CB 3.57Å; Y547-P567 HydrophobicContact CE2-CG 3.99Å; Y547-M570 HydrophobicContact CD1-CE 4.31Å; Y547-M570 HydrophobicContact CD1-SD 3.61Å; Y547-M570 HydrophobicContact CE1-CE 4.37Å; Y547-M570 HydrophobicContact CE1-SD 4.18Å; Y547-M570 HydrophobicContact CG-SD 3.83Å; Y547-Y571 PolarHBondContact N-O 2.8Å
548	P	93.5	Very high	94.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.214	C	C	.	.			trans	-72.9	96	176.9	30.2	-36.4	0	0	0	111	L501 L538 W553 V556 Y562 L596	L501-P548 HydrophobicContact CD1-CB 4.49Å; L501-P548 HydrophobicContact CD1-CG 4.36Å; L538-P548 HydrophobicContact CD1-CG 4.48Å; P548-W553 HydrophobicContact CB-CE3 3.79Å; P548-W553 HydrophobicContact CB-CZ3 4.09Å; P548-V556 HydrophobicContact CB-CG2 4.18Å; P548-Y562 WeakPolarHBondContact O-CE2 3.24Å; P548-L596 HydrophobicContact CB-CD1 4.21Å
549	D	91.9	Very high	94.8	Very high	51 Å²	51	41.4 Å²	41.4	27%	0.273	22%	0.217	S	C	.	.			trans	-109	165.8	174	69.3	42.9	0	0	0	112.5	Y547 A551 I552 W553	Y547-D549 HydrophobicContact CD1-CB 4.35Å; Y547-D549 PolarHBondContact O-N 3.16Å; D549-A551 PolarHBondContact O-N 3.46Å; D549-A551 WeakPolarHBondContact OD1-CA 3.49Å; D549-A551 WeakPolarHBondContact OD1-CB 3.24Å; D549-A551 PolarHBondContact OD1-N 3.17Å; D549-I552 PolarHBondContact O-N 3.25Å; D549-I552 PolarHBondContact OD1-N 2.96Å; D549-W553 PolarHBondContact O-N 2.88Å
550	P	94	Very high	94.7	Very high	53 Å²	53	44 Å²	44	34%	0.344	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.8	-179.6	-25	36.1	0	0	0	115.8	W553 V556	P550-W553 WeakPolarHBondContact CA-O 3.18Å; P550-W553 CarbonylContact O-C 3.53Å; P550-V556 HydrophobicContact CB-CG1 4.48Å; P550-V556 HydrophobicContact CG-CG1 3.99Å
551	A	92.8	Very high	94.6	Very high	86 Å²	86	47.2 Å²	47.2	71%	0.711	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-41.7	177.3	0	0	0	0	0	111.1	D549	D549-A551 PolarHBondContact O-N 3.46Å; D549-A551 WeakPolarHBondContact OD1-CA 3.49Å; D549-A551 WeakPolarHBondContact OD1-CB 3.24Å; D549-A551 PolarHBondContact OD1-N 3.17Å
552	I	92.9	Very high	94.4	Very high	59 Å²	59	49.7 Å²	49.7	30%	0.303	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-36.2	172.8	-61.1	169.7	0	0	0	110.5	D549 L596 K600	D549-I552 PolarHBondContact O-N 3.25Å; D549-I552 PolarHBondContact OD1-N 2.96Å; I552-L596 HydrophobicContact CG2-CD1 4.12Å; I552-K600 PolarHBondContact O-NZ 2.65Å
553	W	95.9	Very high	94.1	Very high	13 Å²	13	54.1 Å²	54.1	5%	0.049	29%	0.289	C	S	.	.	S	Bend	trans	-135.8	88.4	-175.3	-174.8	-0.6	0	0	0	111.8	P497 E498 L501 P548 D549 P550 N555 V556 L559 L596 D597 P598	P497-W553 HydrophobicContact CB-CH2 4.44Å; P497-W553 HydrophobicContact CB-CZ3 4.05Å; P497-W553 HydrophobicContact CG-CH2 4.39Å; P497-W553 HydrophobicContact CG-CZ3 4.08Å; E498-W553 HydrophobicContact CB-CH2 3.78Å; E498-W553 HydrophobicContact CB-CZ2 3.95Å; L501-W553 HydrophobicContact CD1-CH2 4.04Å; L501-W553 HydrophobicContact CD1-CZ3 3.76Å; P548-W553 HydrophobicContact CB-CE3 3.79Å; P548-W553 HydrophobicContact CB-CZ3 4.09Å; D549-W553 PolarHBondContact O-N 2.88Å; P550-W553 WeakPolarHBondContact CA-O 3.18Å; P550-W553 CarbonylContact O-C 3.53Å; W553-N555 PolarHBondContact O-N 3.18Å; W553-V556 HydrophobicContact CB-CB 4.13Å; W553-V556 HydrophobicContact CD2-CB 3.88Å; W553-V556 HydrophobicContact CD2-CG2 3.89Å; W553-V556 HydrophobicContact CE3-CB 4.15Å; W553-V556 HydrophobicContact CE3-CG2 3.67Å; W553-V556 HydrophobicContact CG-CB 3.88Å; W553-V556 HydrophobicContact CG-CG2 4.39Å; W553-V556 HydrophobicContact CZ3-CG2 4.05Å; W553-V556 WeakPolarHBondContact O-CB 3.26Å; W553-V556 WeakPolarHBondContact O-CG1 3.48Å; W553-V556 PolarHBondContact O-N 3.03Å; W553-V556 VanDerWaalsContact O-N 3.09Å; W553-L559 HydrophobicContact CH2-CD1 3.64Å; W553-L559 HydrophobicContact CZ2-CD1 3.56Å; W553-L559 HydrophobicContact CZ3-CD1 4.4Å; W553-L596 HydrophobicContact CE3-CB 4.07Å; W553-D597 HydrophobicContact CB-CB 3.99Å; W553-D597 HydrophobicContact CD2-CB 4.31Å; W553-D597 HydrophobicContact CG-CB 3.71Å; W553-P598 HydrophobicContact CZ2-CG 3.97Å
554	P	93	Very high	93.8	Very high	57 Å²	57	53.5 Å²	53.5	37%	0.37	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	134.9	173.5	-25.7	35.2	0	0	0	111.2
555	N	91.5	Very high	93.3	Very high	70 Å²	70	54 Å²	54	37%	0.374	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	4.4	-174.8	-45.3	-91.8	0	0	0	117	W553 E557 K558	W553-N555 PolarHBondContact O-N 3.18Å; N555-E557 PolarHBondContact O-N 2.89Å; N555-E557 VanDerWaalsContact O-N 3.1Å; N555-K558 HydrophobicContact CB-CD 4.07Å; N555-K558 HydrophobicContact CB-CG 4.41Å; N555-K558 WeakPolarHBondContact O-CB 3.45Å; N555-K558 PolarHBondContact O-N 3.19Å; N555-K558 WeakPolarHBondContact OD1-CE 3.3Å; N555-K558 PolarHBondContact OD1-NZ 3.13Å
556	V	95.5	Very high	92.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-53.3	-32.8	173.8	69.7	0	0	0	0	112.5	L501 P548 P550 W553 K558 L559 Y562	L501-V556 HydrophobicContact CD1-CG2 3.8Å; P548-V556 HydrophobicContact CB-CG2 4.18Å; P550-V556 HydrophobicContact CB-CG1 4.48Å; P550-V556 HydrophobicContact CG-CG1 3.99Å; W553-V556 HydrophobicContact CB-CB 4.13Å; W553-V556 HydrophobicContact CD2-CB 3.88Å; W553-V556 HydrophobicContact CD2-CG2 3.89Å; W553-V556 HydrophobicContact CE3-CB 4.15Å; W553-V556 HydrophobicContact CE3-CG2 3.67Å; W553-V556 HydrophobicContact CG-CB 3.88Å; W553-V556 HydrophobicContact CG-CG2 4.39Å; W553-V556 HydrophobicContact CZ3-CG2 4.05Å; W553-V556 WeakPolarHBondContact O-CB 3.26Å; W553-V556 WeakPolarHBondContact O-CG1 3.48Å; W553-V556 PolarHBondContact O-N 3.03Å; W553-V556 VanDerWaalsContact O-N 3.09Å; V556-K558 PolarHBondContact O-N 3.45Å; V556-K558 VanDerWaalsContact O-N 3.11Å; V556-L559 HydrophobicContact CG2-CD1 4.08Å; V556-L559 WeakPolarHBondContact O-CB 3.43Å; V556-L559 WeakPolarHBondContact O-CG 3.2Å; V556-L559 PolarHBondContact O-N 3.39Å; V556-L559 VanDerWaalsContact O-N 3.08Å; V556-Y562 HydrophobicContact CG1-CD2 4.2Å; V556-Y562 HydrophobicContact CG1-CE2 3.79Å; V556-Y562 HydrophobicContact CG2-CD2 3.72Å; V556-Y562 HydrophobicContact CG2-CE2 4.02Å
557	E	93.7	Very high	91.6	Very high	120 Å²	120	64.9 Å²	64.9	56%	0.561	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-62	-13.9	176.7	69.2	-163.6	155.2	0	0	115.4	N555 Y562	N555-E557 PolarHBondContact O-N 2.89Å; N555-E557 VanDerWaalsContact O-N 3.1Å; E557-Y562 HydrophobicContact CB-CD1 4.15Å; E557-Y562 HydrophobicContact CB-CE1 4.04Å
558	K	93.4	Very high	91	Very high	151 Å²	151	72.3 Å²	72.3	66%	0.657	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-89	-6.4	176.7	-58.1	-176.5	-176.7	165.5	0	112.9	N555 V556	N555-K558 HydrophobicContact CB-CD 4.07Å; N555-K558 HydrophobicContact CB-CG 4.41Å; N555-K558 WeakPolarHBondContact O-CB 3.45Å; N555-K558 PolarHBondContact O-N 3.19Å; N555-K558 WeakPolarHBondContact OD1-CE 3.3Å; N555-K558 PolarHBondContact OD1-NZ 3.13Å; V556-K558 PolarHBondContact O-N 3.45Å; V556-K558 VanDerWaalsContact O-N 3.11Å
559	L	95.3	Very high	90.7	Very high	15 Å²	15	78.7 Å²	78.7	8%	0.079	41%	0.414	C	S	.	.	S	Bend	trans	-80.4	134.7	-178.1	-62	176	0	0	0	111.1	L501 E503 W553 V556 F561 Y562	L501-L559 HydrophobicContact CB-CB 3.9Å; L501-L559 HydrophobicContact CB-CD1 3.73Å; L501-L559 HydrophobicContact CB-CG 4.44Å; L501-L559 HydrophobicContact CD1-CD1 3.79Å; L501-L559 HydrophobicContact CG-CD1 4.42Å; L501-L559 CarbonylContact O-C 3.6Å; E503-L559 HydrophobicContact CB-CD2 4.03Å; E503-L559 HydrophobicContact CG-CD2 4.47Å; W553-L559 HydrophobicContact CH2-CD1 3.64Å; W553-L559 HydrophobicContact CZ2-CD1 3.56Å; W553-L559 HydrophobicContact CZ3-CD1 4.4Å; V556-L559 HydrophobicContact CG2-CD1 4.08Å; V556-L559 WeakPolarHBondContact O-CB 3.43Å; V556-L559 WeakPolarHBondContact O-CG 3.2Å; V556-L559 PolarHBondContact O-N 3.39Å; V556-L559 VanDerWaalsContact O-N 3.08Å; L559-F561 VanDerWaalsContact C-N 3.28Å; L559-F561 PolarHBondContact O-N 2.77Å; L559-Y562 WeakPolarHBondContact O-CB 3.31Å; L559-Y562 PolarHBondContact O-N 2.72Å; L559-Y562 VanDerWaalsContact O-N 3.1Å
560	P	95.1	Very high	90.5	Very high	78 Å²	78	82.3 Å²	82.3	51%	0.506	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-34.6	-166.6	-32	37	0	0	0	116.7	L501	L501-P560 WeakPolarHBondContact O-CD 3.34Å
561	F	94.3	Very high	90.5	Very high	87 Å²	87	82.1 Å²	82.1	38%	0.382	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-0.2	-175.1	-51.5	-37.5	0	0	0	114.2	L501 L559 S563 T564 I565	L501-F561 PolarHBondContact O-N 3.03Å; L559-F561 VanDerWaalsContact C-N 3.28Å; L559-F561 PolarHBondContact O-N 2.77Å; F561-S563 PolarHBondContact O-N 3.46Å; F561-T564 PolarHBondContact O-N 2.71Å; F561-T564 VanDerWaalsContact O-N 3.14Å; F561-I565 HydrophobicContact CB-CD1 3.95Å; F561-I565 HydrophobicContact CB-CG1 4.36Å; F561-I565 WeakPolarHBondContact O-CG1 3.38Å; F561-I565 PolarHBondContact O-N 2.74Å
562	Y	93.4	Very high	90.6	Very high	53 Å²	53	85.1 Å²	85.1	21%	0.208	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-41.2	-178	175.3	-97.7	0	0	0	113.2	Y547 P548 V556 E557 L559 T564	Y547-Y562 HydrophobicContact CE1-CE2 4.45Å; P548-Y562 WeakPolarHBondContact O-CE2 3.24Å; V556-Y562 HydrophobicContact CG1-CD2 4.2Å; V556-Y562 HydrophobicContact CG1-CE2 3.79Å; V556-Y562 HydrophobicContact CG2-CD2 3.72Å; V556-Y562 HydrophobicContact CG2-CE2 4.02Å; E557-Y562 HydrophobicContact CB-CD1 4.15Å; E557-Y562 HydrophobicContact CB-CE1 4.04Å; L559-Y562 WeakPolarHBondContact O-CB 3.31Å; L559-Y562 PolarHBondContact O-N 2.72Å; L559-Y562 VanDerWaalsContact O-N 3.1Å; Y562-T564 VanDerWaalsContact C-N 3.33Å
563	S	89.1	Confident	90.8	Very high	96 Å²	96	85.2 Å²	85.2	67%	0.671	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-22.6	178.2	60.6	0	0	0	0	113.3	F561	F561-S563 PolarHBondContact O-N 3.46Å
564	T	90.4	Very high	90.9	Very high	103 Å²	103	89.5 Å²	89.5	63%	0.632	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-43.7	179.3	-43.7	0	0	0	0	111.7	F561 Y562 K566	F561-T564 PolarHBondContact O-N 2.71Å; F561-T564 VanDerWaalsContact O-N 3.14Å; Y562-T564 VanDerWaalsContact C-N 3.33Å; T564-K566 PolarHBondContact O-N 2.69Å; T564-K566 VanDerWaalsContact O-N 3.15Å
565	I	86.3	Confident	91.1	Very high	27 Å²	27	86.8 Å²	86.8	14%	0.138	41%	0.411	C	S	.	.	S	Bend	trans	-85.6	89.4	-175.4	-57.1	170.4	0	0	0	109.9	L501 V535 L538 F561	L501-I565 HydrophobicContact CD2-CD1 4.49Å; V535-I565 HydrophobicContact CG1-CG2 4.07Å; V535-I565 HydrophobicContact CG2-CD1 4.36Å; V535-I565 HydrophobicContact CG2-CG1 4.31Å; L538-I565 HydrophobicContact CD2-CD1 4.18Å; L538-I565 HydrophobicContact CD2-CG2 4.02Å; F561-I565 HydrophobicContact CB-CD1 3.95Å; F561-I565 HydrophobicContact CB-CG1 4.36Å; F561-I565 WeakPolarHBondContact O-CG1 3.38Å; F561-I565 PolarHBondContact O-N 2.74Å
566	K	80.2	Confident	91.4	Very high	178 Å²	178	88.5 Å²	88.5	77%	0.774	41%	0.412	S	S	*	.			trans	-77	132.7	178.3	-65.4	-177.8	-179.5	177.9	0	111.6	T564 K568	T564-K566 PolarHBondContact O-N 2.69Å; T564-K566 VanDerWaalsContact O-N 3.15Å; K566-K568 PolarHBondContact O-N 2.87Å
567	P	78.8	Confident	91.4	Very high	51 Å²	51	93 Å²	93	33%	0.331	43%	0.433	S	S	.	.			trans	-67.4	131.2	176.1	22.3	-28.6	0	0	0	111.7	Y547 M570	Y547-P567 HydrophobicContact CD2-CB 3.91Å; Y547-P567 HydrophobicContact CE1-CG 4.27Å; Y547-P567 HydrophobicContact CE2-CB 3.57Å; Y547-P567 HydrophobicContact CE2-CG 3.99Å; P567-M570 HydrophobicContact CB-SD 4.19Å; P567-M570 HydrophobicContact CG-CE 3.67Å; P567-M570 HydrophobicContact CG-SD 3.94Å
568	K	80.9	Confident	91.5	Very high	170 Å²	170	90.8 Å²	90.8	74%	0.739	42%	0.423	S	S	*	.	S	Bend	trans	-66.4	-30	165.8	-59.4	176.7	-167.6	156.3	0	111.9	E539 K566	E539-K568 WeakPolarHBondContact OE2-CD 3.16Å; E539-K568 WeakPolarHBondContact OE2-CE 3.5Å; E539-K568 IonicContact OE2-NZ 2.76Å; E539-K568 PolarHBondContact OE2-NZ 2.88Å; K566-K568 PolarHBondContact O-N 2.87Å
569	K	86	Confident	91.6	Very high	135 Å²	135	83.8 Å²	83.8	59%	0.587	39%	0.393	S	S	*	.	S	Bend	trans	-157.9	141.4	-176.7	-178.4	169.1	-179	174.9	0	109.1	Y571	K569-Y571 HydrophobicContact CB-CE1 4.42Å; K569-Y571 HydrophobicContact CB-CE2 4.15Å; K569-Y571 HydrophobicContact CD-CE1 3.96Å; K569-Y571 HydrophobicContact CG-CE1 4.2Å; K569-Y571 VanDerWaalsContact O-CD2 3.29Å; K569-Y571 WeakPolarHBondContact O-CD2 3.46Å; K569-Y571 WeakPolarHBondContact O-CE2 3.07Å
570	M	88.7	Confident	91.5	Very high	126 Å²	126	90.1 Å²	90.1	62%	0.621	42%	0.422	S	S	*	.			trans	-79.8	134.5	168.4	-66	-57.5	-171.3	0	0	109.9	Y547 P567	Y547-M570 HydrophobicContact CD1-CE 4.31Å; Y547-M570 HydrophobicContact CD1-SD 3.61Å; Y547-M570 HydrophobicContact CE1-CE 4.37Å; Y547-M570 HydrophobicContact CE1-SD 4.18Å; Y547-M570 HydrophobicContact CG-SD 3.83Å; P567-M570 HydrophobicContact CB-SD 4.19Å; P567-M570 HydrophobicContact CG-CE 3.67Å; P567-M570 HydrophobicContact CG-SD 3.94Å
571	Y	93.7	Very high	91.3	Very high	49 Å²	49	92.4 Å²	92.4	19%	0.192	43%	0.428	C	S	.	.			trans	-119.7	129.5	-177.8	-63.3	-78.7	0	0	0	109.8	E539 S542 R543 G546 Y547 K569	E539-Y571 HydrophobicContact CG-CE2 4.12Å; E539-Y571 PolarHBondContact OE1-OH 3.34Å; S542-Y571 WeakPolarHBondContact O-CB 3.45Å; R543-Y571 HydrophobicContact CB-CD1 4.48Å; R543-Y571 HydrophobicContact CB-CE1 4.41Å; R543-Y571 HydrophobicContact CG-CD1 4.1Å; R543-Y571 HydrophobicContact CG-CD2 4.48Å; R543-Y571 HydrophobicContact CG-CE1 3.59Å; R543-Y571 HydrophobicContact CG-CE2 3.99Å; G546-Y571 CarbonylContact C-O 3.58Å; G546-Y571 WeakPolarHBondContact CA-O 3.4Å; Y547-Y571 PolarHBondContact N-O 2.8Å; K569-Y571 HydrophobicContact CB-CE1 4.42Å; K569-Y571 HydrophobicContact CB-CE2 4.15Å; K569-Y571 HydrophobicContact CD-CE1 3.96Å; K569-Y571 HydrophobicContact CG-CE1 4.2Å; K569-Y571 VanDerWaalsContact O-CD2 3.29Å; K569-Y571 WeakPolarHBondContact O-CD2 3.46Å; K569-Y571 WeakPolarHBondContact O-CE2 3.07Å
572	R	94.9	Very high	91.4	Very high	149 Å²	149	88.5 Å²	88.5	56%	0.562	41%	0.411	S	S	*	.			trans	-75.5	152.4	165.8	70	175.6	-172.7	77	-2.4	109.8	R574 E577	R572-R574 HydrophobicContact CG-CG 4.25Å; R572-R574 WeakPolarHBondContact O-CG 3.45Å; R572-R574 PolarHBondContact O-N 3.2Å; R572-E577 IonicContact CZ-OE1 3.03Å; R572-E577 IonicContact CZ-OE2 2.69Å; R572-E577 IonicContact NH1-OE1 3.5Å; R572-E577 PolarHBondContact NH1-OE1 2.76Å; R572-E577 IonicContact NH1-OE2 2.71Å; R572-E577 PolarHBondContact NH1-OE2 2.83Å; R572-E577 VanDerWaalsContact NH2-CD 3.34Å; R572-E577 IonicContact NH2-OE1 2.77Å; R572-E577 PolarHBondContact NH2-OE1 3.43Å; R572-E577 IonicContact NH2-OE2 3.86Å; R572-E577 PolarHBondContact NH2-OE2 3.24Å
573	R	97.4	Very high	91.5	Very high	62 Å²	62	87.4 Å²	87.4	23%	0.234	41%	0.41	C	S	.	.			trans	-60	133.4	170.5	-170.9	169.4	-172.8	92.9	-10.1	109.8	C545 L575 D591 L594	C545-R573 WeakPolarHBondContact O-CB 3.46Å; C545-R573 VanDerWaalsContact O-CG 3.32Å; C545-R573 WeakPolarHBondContact O-CG 3.32Å; C545-R573 PolarHBondContact O-NH1 3.38Å; R573-L575 HydrophobicContact CG-CB 4.5Å; R573-D591 IonicContact CZ-OD1 2.63Å; R573-D591 VanDerWaalsContact CZ-OD1 3.22Å; R573-D591 IonicContact NE-OD1 3.88Å; R573-D591 PolarHBondContact NE-OD1 3.29Å; R573-D591 PolarHBondContact NH2-O 3.29Å; R573-D591 IonicContact NH2-OD1 2.9Å; R573-D591 PolarHBondContact NH2-OD1 2.59Å; R573-L594 PolarHBondContact NH1-O 2.93Å; R573-L594 PolarHBondContact NH2-O 3.27Å
574	R	97	Very high	91.9	Very high	102 Å²	102	87.3 Å²	87.3	39%	0.385	41%	0.408	S	S	.	.			trans	-132.9	7.1	178	-50.6	-156.6	-50.4	172.7	8.2	113.8	I544 R572 R576 E577 E578	I544-R574 PolarHBondContact O-N 3.34Å; R572-R574 HydrophobicContact CG-CG 4.25Å; R572-R574 WeakPolarHBondContact O-CG 3.45Å; R572-R574 PolarHBondContact O-N 3.2Å; R574-R576 PolarHBondContact O-N 2.89Å; R574-E577 HydrophobicContact CB-CB 4.48Å; R574-E577 WeakPolarHBondContact O-CA 3.42Å; R574-E577 WeakPolarHBondContact O-CB 3.38Å; R574-E577 PolarHBondContact O-N 2.95Å; R574-E578 IonicContact CZ-OE2 3.46Å; R574-E578 IonicContact NE-OE2 2.72Å; R574-E578 IonicContact NH2-OE2 2.71Å; R574-E578 PolarHBondContact NH2-OE2 3.03Å; R574-E578 PolarHBondContact O-N 2.94Å
575	L	97.5	Very high	92.2	Very high	1 Å²	1	87.4 Å²	87.4	1%	0.005	40%	0.401	C	S	.	.	H	α-helix	trans	-46.2	-44.9	-172.2	-177.2	154.3	0	0	0	113.7	I544 R573 E577 Y579 V587 L590 D591 L594	I544-L575 HydrophobicContact CG2-CB 4.17Å; I544-L575 HydrophobicContact CG2-CG 4.49Å; I544-L575 PolarHBondContact O-N 3.41Å; I544-L575 VanDerWaalsContact O-N 3.13Å; R573-L575 HydrophobicContact CG-CB 4.5Å; L575-E577 VanDerWaalsContact C-N 3.33Å; L575-E577 PolarHBondContact O-N 2.71Å; L575-Y579 WeakPolarHBondContact O-CB 3.43Å; L575-Y579 WeakPolarHBondContact O-CD2 3.29Å; L575-Y579 PolarHBondContact O-N 2.63Å; L575-V587 HydrophobicContact CD2-CG2 3.84Å; L575-L590 HydrophobicContact CD2-CD2 4.35Å; L575-L590 HydrophobicContact CD2-CG 4.28Å; L575-D591 HydrophobicContact CD2-CB 4.07Å; L575-L594 HydrophobicContact CD1-CB 3.85Å; L575-L594 HydrophobicContact CD1-CD1 3.99Å
576	R	96.8	Very high	92.7	Very high	105 Å²	105	86.1 Å²	86.1	40%	0.396	39%	0.394	S	S	.	.	H	α-helix	trans	-70.9	-22.5	179.4	-66.9	174.9	175.6	-95.1	0.9	114.7	R574 H580 V587 D588 D591	R574-R576 PolarHBondContact O-N 2.89Å; R576-H580 PolarHBondContact O-N 3.23Å; R576-V587 HydrophobicContact CG-CG2 4.28Å; R576-D588 IonicContact CZ-OD1 2.65Å; R576-D588 VanDerWaalsContact CZ-OD1 3.25Å; R576-D588 IonicContact NH1-OD1 2.62Å; R576-D588 PolarHBondContact NH1-OD1 2.98Å; R576-D588 IonicContact NH2-OD1 2.69Å; R576-D588 PolarHBondContact NH2-OD1 3.34Å; R576-D591 IonicContact CZ-OD2 3.57Å; R576-D591 VanDerWaalsContact CZ-OD2 3.25Å; R576-D591 IonicContact NE-OD2 3.39Å; R576-D591 PolarHBondContact NE-OD2 3.23Å; R576-D591 IonicContact NH2-OD2 2.67Å; R576-D591 PolarHBondContact NH2-OD2 3.3Å
577	E	96.5	Very high	93.6	Very high	94 Å²	94	78.1 Å²	78.1	44%	0.439	36%	0.36	S	S	.	.	H	α-helix	trans	-84.4	-43.4	175.7	-61.8	156.1	-147.2	0	0	110.7	R572 R574 L575 H580	R572-E577 IonicContact CZ-OE1 3.03Å; R572-E577 IonicContact CZ-OE2 2.69Å; R572-E577 IonicContact NH1-OE1 3.5Å; R572-E577 PolarHBondContact NH1-OE1 2.76Å; R572-E577 IonicContact NH1-OE2 2.71Å; R572-E577 PolarHBondContact NH1-OE2 2.83Å; R572-E577 VanDerWaalsContact NH2-CD 3.34Å; R572-E577 IonicContact NH2-OE1 2.77Å; R572-E577 PolarHBondContact NH2-OE1 3.43Å; R572-E577 IonicContact NH2-OE2 3.86Å; R572-E577 PolarHBondContact NH2-OE2 3.24Å; R574-E577 HydrophobicContact CB-CB 4.48Å; R574-E577 WeakPolarHBondContact O-CA 3.42Å; R574-E577 WeakPolarHBondContact O-CB 3.38Å; R574-E577 PolarHBondContact O-N 2.95Å; L575-E577 VanDerWaalsContact C-N 3.33Å; L575-E577 PolarHBondContact O-N 2.71Å; E577-H580 PolarHBondContact O-ND1 2.87Å
578	E	95.3	Very high	94.5	Very high	74 Å²	74	78 Å²	78	35%	0.346	36%	0.357	S	S	.	.	H	α-helix	trans	-68.5	-35.3	179.6	-161	80	-141.3	0	0	111.8	I544 R574	I544-E578 HydrophobicContact CG1-CG 4.33Å; R574-E578 IonicContact CZ-OE2 3.46Å; R574-E578 IonicContact NE-OE2 2.72Å; R574-E578 IonicContact NH2-OE2 2.71Å; R574-E578 PolarHBondContact NH2-OE2 3.03Å; R574-E578 PolarHBondContact O-N 2.94Å
579	Y	95.2	Very high	95.3	Very high	4 Å²	4	70.2 Å²	70.2	2%	0.016	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	31.5	-178.3	-65.7	-91	0	0	0	112.9	T524 M528 I544 L575 I581 I582 L590	T524-Y579 HydrophobicContact CG2-CD1 3.8Å; T524-Y579 HydrophobicContact CG2-CE1 3.71Å; M528-Y579 WeakPolarHBondContact CB-OH 3.46Å; M528-Y579 HydrophobicContact CE-CD1 4.28Å; M528-Y579 HydrophobicContact CE-CD2 4.1Å; M528-Y579 HydrophobicContact CE-CE1 3.73Å; M528-Y579 HydrophobicContact CE-CE2 3.56Å; M528-Y579 HydrophobicContact CE-CG 4.46Å; M528-Y579 HydrophobicContact CG-CE1 4.2Å; I544-Y579 HydrophobicContact CD1-CE2 4.32Å; I544-Y579 HydrophobicContact CG2-CE2 4Å; L575-Y579 WeakPolarHBondContact O-CB 3.43Å; L575-Y579 WeakPolarHBondContact O-CD2 3.29Å; L575-Y579 PolarHBondContact O-N 2.63Å; Y579-I581 PolarHBondContact O-N 3.41Å; Y579-I581 VanDerWaalsContact O-N 3.09Å; Y579-I582 HydrophobicContact CD1-CD1 3.83Å; Y579-I582 HydrophobicContact CG-CD1 4.29Å; Y579-I582 WeakPolarHBondContact O-CB 3.43Å; Y579-I582 PolarHBondContact O-N 2.62Å; Y579-L590 HydrophobicContact CG-CD2 4.4Å
580	H	93.8	Very high	95.9	Very high	149 Å²	149	63.8 Å²	63.8	69%	0.69	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.9	178	66.9	-92.5	0	0	0	114.5	R576 E577 I582	R576-H580 PolarHBondContact O-N 3.23Å; E577-H580 PolarHBondContact O-ND1 2.87Å; H580-I582 PolarHBondContact O-N 2.87Å
581	I	92.1	Very high	96.4	Very high	126 Å²	126	58.7 Å²	58.7	65%	0.646	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.8	172.6	-166.6	166.3	0	0	0	113.1	Y579	Y579-I581 PolarHBondContact O-N 3.41Å; Y579-I581 VanDerWaalsContact O-N 3.09Å
582	I	95.3	Very high	96.6	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.021	28%	0.282	C	S	.	.	S	Bend	trans	-83.9	132.1	177.8	-61.3	-170.9	0	0	0	109.2	F523 Y579 H580 A586 V587 L590	F523-I582 HydrophobicContact CB-CD1 3.73Å; F523-I582 HydrophobicContact CB-CG1 3.72Å; F523-I582 HydrophobicContact CD1-CG1 4.29Å; F523-I582 HydrophobicContact CD2-CD1 3.87Å; F523-I582 HydrophobicContact CD2-CG1 4.06Å; F523-I582 HydrophobicContact CD2-CG2 3.89Å; F523-I582 HydrophobicContact CE1-CG2 4.48Å; F523-I582 HydrophobicContact CE2-CG2 3.82Å; F523-I582 HydrophobicContact CG-CB 4.49Å; F523-I582 HydrophobicContact CG-CD1 3.95Å; F523-I582 HydrophobicContact CG-CG1 3.78Å; F523-I582 HydrophobicContact CG-CG2 4.26Å; F523-I582 HydrophobicContact CZ-CG2 4.13Å; Y579-I582 HydrophobicContact CD1-CD1 3.83Å; Y579-I582 HydrophobicContact CG-CD1 4.29Å; Y579-I582 WeakPolarHBondContact O-CB 3.43Å; Y579-I582 PolarHBondContact O-N 2.62Å; H580-I582 PolarHBondContact O-N 2.87Å; I582-A586 HydrophobicContact CG2-CB 3.58Å; I582-V587 HydrophobicContact CB-CB 4.11Å; I582-V587 HydrophobicContact CG2-CB 3.92Å; I582-L590 HydrophobicContact CD1-CD2 3.72Å
583	P	96.4	Very high	96.8	Very high	30 Å²	30	53.7 Å²	53.7	20%	0.195	26%	0.255	C	S	.	.			trans	-51.1	143.9	179.5	-30.2	36.5	0	0	0	113.4	E425 F523 H585 A586 V587	E425-P583 HydrophobicContact CG-CG 4.05Å; E425-P583 WeakPolarHBondContact OE2-CG 3.21Å; F523-P583 VanDerWaalsContact CE1-CD 3.41Å; F523-P583 HydrophobicContact CE1-CG 4.07Å; F523-P583 HydrophobicContact CZ-CG 4.31Å; P583-H585 PolarHBondContact O-N 3.07Å; P583-H585 VanDerWaalsContact O-N 3.15Å; P583-A586 HydrophobicContact CB-CB 4.28Å; P583-A586 WeakPolarHBondContact O-CA 3.4Å; P583-A586 WeakPolarHBondContact O-CB 3.49Å; P583-A586 PolarHBondContact O-N 2.63Å; P583-V587 PolarHBondContact O-N 3.07Å
584	P	96.5	Very high	96.8	Very high	95 Å²	95	50.7 Å²	50.7	62%	0.617	24%	0.244	S	C	*	.	H	α-helix	trans	-48.7	-48.9	-169.8	-33	36.7	0	0	0	115.2	A586 V587 D588	P584-A586 VanDerWaalsContact C-N 3.34Å; P584-A586 PolarHBondContact O-N 2.86Å; P584-V587 VanDerWaalsContact O-CG1 3.24Å; P584-V587 WeakPolarHBondContact O-CG1 3.35Å; P584-V587 PolarHBondContact O-N 3.38Å; P584-D588 PolarHBondContact O-N 2.85Å
585	H	96.8	Very high	96.9	Very high	104 Å²	104	47.9 Å²	47.9	48%	0.481	24%	0.235	S	C	.	.	H	α-helix	trans	-74.9	-21.2	-179.9	-61	-35	0	0	0	114.2	P583 D588 L589 W612	P583-H585 PolarHBondContact O-N 3.07Å; P583-H585 VanDerWaalsContact O-N 3.15Å; H585-D588 IonicContact ND1-OD2 2.63Å; H585-D588 PolarHBondContact ND1-OD2 3.49Å; H585-L589 PolarHBondContact O-N 3.42Å; H585-W612 HydrophobicContact CB-CB 3.86Å; H585-W612 HydrophobicContact CB-CG 4.29Å
586	A	97.8	Very high	96.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-77.7	-39.7	172.4	0	0	0	0	0	111.1	F523 I582 P583 P584 L589 L590 W612	F523-A586 HydrophobicContact CE2-CB 3.92Å; F523-A586 HydrophobicContact CZ-CB 3.91Å; I582-A586 HydrophobicContact CG2-CB 3.58Å; P583-A586 HydrophobicContact CB-CB 4.28Å; P583-A586 WeakPolarHBondContact O-CA 3.4Å; P583-A586 WeakPolarHBondContact O-CB 3.49Å; P583-A586 PolarHBondContact O-N 2.63Å; P584-A586 VanDerWaalsContact C-N 3.34Å; P584-A586 PolarHBondContact O-N 2.86Å; A586-L589 PolarHBondContact O-N 2.98Å; A586-L590 PolarHBondContact O-N 3.23Å; A586-W612 HydrophobicContact CB-CD2 3.77Å; A586-W612 HydrophobicContact CB-CE3 4.07Å; A586-W612 HydrophobicContact CB-CG 4.32Å; A586-W612 HydrophobicContact CB-CH2 4.01Å; A586-W612 HydrophobicContact CB-CZ2 3.69Å; A586-W612 HydrophobicContact CB-CZ3 4.19Å
587	V	97.9	Very high	97	Very high	11 Å²	11	43.2 Å²	43.2	7%	0.067	22%	0.218	C	C	.	.	H	α-helix	trans	-73	-29.2	173.7	72.8	0	0	0	0	111.8	L575 R576 I582 P583 P584 L590 D591	L575-V587 HydrophobicContact CD2-CG2 3.84Å; R576-V587 HydrophobicContact CG-CG2 4.28Å; I582-V587 HydrophobicContact CB-CB 4.11Å; I582-V587 HydrophobicContact CG2-CB 3.92Å; P583-V587 PolarHBondContact O-N 3.07Å; P584-V587 VanDerWaalsContact O-CG1 3.24Å; P584-V587 WeakPolarHBondContact O-CG1 3.35Å; P584-V587 PolarHBondContact O-N 3.38Å; V587-L590 PolarHBondContact O-N 3.29Å; V587-D591 VanDerWaalsContact O-CB 3.29Å; V587-D591 WeakPolarHBondContact O-CB 3.23Å; V587-D591 PolarHBondContact O-N 3.02Å
588	D	97.9	Very high	97	Very high	48 Å²	48	40.4 Å²	40.4	26%	0.257	21%	0.208	S	C	.	.	H	α-helix	trans	-57	-47.6	166.9	-75.7	-35	0	0	0	111.7	R576 P584 H585 D591 H592	R576-D588 IonicContact CZ-OD1 2.65Å; R576-D588 VanDerWaalsContact CZ-OD1 3.25Å; R576-D588 IonicContact NH1-OD1 2.62Å; R576-D588 PolarHBondContact NH1-OD1 2.98Å; R576-D588 IonicContact NH2-OD1 2.69Å; R576-D588 PolarHBondContact NH2-OD1 3.34Å; P584-D588 PolarHBondContact O-N 2.85Å; H585-D588 IonicContact ND1-OD2 2.63Å; H585-D588 PolarHBondContact ND1-OD2 3.49Å; D588-D591 PolarHBondContact O-N 3.07Å; D588-H592 PolarHBondContact O-N 3.04Å; D588-H592 PolarHBondContact O-ND1 2.83Å
589	L	98.5	Very high	97	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-45.3	176.6	177.1	60	0	0	0	111.3	L519 H585 A586 D591 H592 M593 A607 W612 L613	L519-L589 HydrophobicContact CD2-CB 4.47Å; L519-L589 HydrophobicContact CD2-CD2 4.2Å; L519-L589 HydrophobicContact CD2-CG 4.15Å; H585-L589 PolarHBondContact O-N 3.42Å; A586-L589 PolarHBondContact O-N 2.98Å; L589-D591 VanDerWaalsContact C-N 3.28Å; L589-D591 PolarHBondContact O-N 2.98Å; L589-H592 PolarHBondContact O-N 3.48Å; L589-M593 HydrophobicContact CD1-CG 3.95Å; L589-M593 HydrophobicContact CD1-SD 3.88Å; L589-M593 HydrophobicContact CD2-SD 4.16Å; L589-M593 HydrophobicContact CG-CG 4.23Å; L589-M593 HydrophobicContact CG-SD 3.69Å; L589-M593 VanDerWaalsContact O-CG 3.3Å; L589-M593 WeakPolarHBondContact O-CG 3.43Å; L589-M593 PolarHBondContact O-N 2.84Å; L589-A607 HydrophobicContact CD1-CB 3.79Å; L589-W612 HydrophobicContact CD2-CE3 3.88Å; L589-W612 HydrophobicContact CD2-CZ3 4.26Å; L589-L613 HydrophobicContact CD2-CD1 3.58Å; L589-L613 HydrophobicContact CD2-CG 4.01Å
590	L	98.6	Very high	97.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-40.7	178	-175.3	61.4	0	0	0	112.4	G516 L519 M528 L575 Y579 I582 A586 V587 M593 L594	G516-L590 WeakPolarHBondContact O-CD1 3.46Å; L519-L590 HydrophobicContact CB-CD1 4.15Å; L519-L590 HydrophobicContact CD2-CB 3.95Å; L519-L590 HydrophobicContact CD2-CD1 4.15Å; L519-L590 HydrophobicContact CG-CB 4.45Å; L519-L590 HydrophobicContact CG-CD1 4.09Å; M528-L590 HydrophobicContact CE-CD1 4.15Å; M528-L590 HydrophobicContact CE-CD2 3.99Å; M528-L590 HydrophobicContact CE-CG 4.42Å; M528-L590 HydrophobicContact SD-CD1 4.14Å; L575-L590 HydrophobicContact CD2-CD2 4.35Å; L575-L590 HydrophobicContact CD2-CG 4.28Å; Y579-L590 HydrophobicContact CG-CD2 4.4Å; I582-L590 HydrophobicContact CD1-CD2 3.72Å; A586-L590 PolarHBondContact O-N 3.23Å; V587-L590 PolarHBondContact O-N 3.29Å; L590-M593 PolarHBondContact O-N 3.08Å; L590-L594 HydrophobicContact CD1-CD1 3.55Å; L590-L594 HydrophobicContact CD1-CG 4.13Å; L590-L594 HydrophobicContact CG-CD1 4.08Å; L590-L594 WeakPolarHBondContact O-CB 3.29Å; L590-L594 PolarHBondContact O-N 3.45Å
591	D	98.3	Very high	97.3	Very high	19 Å²	19	42.9 Å²	42.9	10%	0.102	22%	0.218	C	C	.	.	H	α-helix	trans	-63.8	-39.6	178	-167.1	30.7	0	0	0	112.1	R573 L575 R576 V587 D588 L589 Q595	R573-D591 IonicContact CZ-OD1 2.63Å; R573-D591 VanDerWaalsContact CZ-OD1 3.22Å; R573-D591 IonicContact NE-OD1 3.88Å; R573-D591 PolarHBondContact NE-OD1 3.29Å; R573-D591 PolarHBondContact NH2-O 3.29Å; R573-D591 IonicContact NH2-OD1 2.9Å; R573-D591 PolarHBondContact NH2-OD1 2.59Å; L575-D591 HydrophobicContact CD2-CB 4.07Å; R576-D591 IonicContact CZ-OD2 3.57Å; R576-D591 VanDerWaalsContact CZ-OD2 3.25Å; R576-D591 IonicContact NE-OD2 3.39Å; R576-D591 PolarHBondContact NE-OD2 3.23Å; R576-D591 IonicContact NH2-OD2 2.67Å; R576-D591 PolarHBondContact NH2-OD2 3.3Å; V587-D591 VanDerWaalsContact O-CB 3.29Å; V587-D591 WeakPolarHBondContact O-CB 3.23Å; V587-D591 PolarHBondContact O-N 3.02Å; D588-D591 PolarHBondContact O-N 3.07Å; L589-D591 VanDerWaalsContact C-N 3.28Å; L589-D591 PolarHBondContact O-N 2.98Å; D591-Q595 PolarHBondContact O-N 3.25Å
592	H	98.3	Very high	97.6	Very high	93 Å²	93	37.6 Å²	37.6	43%	0.431	19%	0.192	S	C	.	.	H	α-helix	trans	-72.9	-34.2	174.3	-70.6	89.2	0	0	0	113.4	D588 L589 L594 C602	D588-H592 PolarHBondContact O-N 3.04Å; D588-H592 PolarHBondContact O-ND1 2.83Å; L589-H592 PolarHBondContact O-N 3.48Å; H592-L594 VanDerWaalsContact C-N 3.35Å; H592-C602 HydrophobicContact CB-CB 4.26Å; H592-C602 PolarHBondContact O-N 2.77Å
593	M	98.7	Very high	97.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-74	-26.1	176.9	-67	179	80.9	0	0	112.7	M432 L436 I512 C515 L519 L589 L590 R601	M432-M593 HydrophobicContact CE-CE 4.01Å; M432-M593 HydrophobicContact CE-SD 4.25Å; L436-M593 HydrophobicContact CD2-CE 3.96Å; I512-M593 HydrophobicContact CG2-CB 4.15Å; I512-M593 HydrophobicContact CG2-CE 3.89Å; I512-M593 HydrophobicContact CG2-CG 3.94Å; C515-M593 HydrophobicContact CB-CE 3.44Å; C515-M593 VanDerWaalsContact CB-CE 3.44Å; L519-M593 HydrophobicContact CD2-SD 4.06Å; L589-M593 HydrophobicContact CD1-CG 3.95Å; L589-M593 HydrophobicContact CD1-SD 3.88Å; L589-M593 HydrophobicContact CD2-SD 4.16Å; L589-M593 HydrophobicContact CG-CG 4.23Å; L589-M593 HydrophobicContact CG-SD 3.69Å; L589-M593 VanDerWaalsContact O-CG 3.3Å; L589-M593 WeakPolarHBondContact O-CG 3.43Å; L589-M593 PolarHBondContact O-N 2.84Å; L590-M593 PolarHBondContact O-N 3.08Å; M593-R601 VanDerWaalsContact O-CD 3.26Å; M593-R601 WeakPolarHBondContact O-CD 3.4Å; M593-R601 VanDerWaalsContact O-CG 3.28Å; M593-R601 WeakPolarHBondContact O-CG 3.46Å
594	L	98.6	Very high	97.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	36.9	179.3	-61.3	178.6	0	0	0	112.6	W513 M528 F529 R573 L575 L590 H592	W513-L594 HydrophobicContact CD2-CD2 3.55Å; W513-L594 HydrophobicContact CE3-CB 4.4Å; W513-L594 HydrophobicContact CE3-CD2 3.71Å; W513-L594 HydrophobicContact CG-CD2 4.01Å; W513-L594 HydrophobicContact CH2-CD2 4.24Å; W513-L594 HydrophobicContact CZ2-CD2 4.1Å; W513-L594 HydrophobicContact CZ3-CB 4.14Å; W513-L594 HydrophobicContact CZ3-CD2 4.06Å; M528-L594 HydrophobicContact CE-CD1 3.56Å; M528-L594 HydrophobicContact SD-CD1 3.86Å; F529-L594 HydrophobicContact CE2-CD1 4.12Å; F529-L594 HydrophobicContact CE2-CD2 4.27Å; F529-L594 HydrophobicContact CZ-CD1 4.06Å; R573-L594 PolarHBondContact NH1-O 2.93Å; R573-L594 PolarHBondContact NH2-O 3.27Å; L575-L594 HydrophobicContact CD1-CB 3.85Å; L575-L594 HydrophobicContact CD1-CD1 3.99Å; L590-L594 HydrophobicContact CD1-CD1 3.55Å; L590-L594 HydrophobicContact CD1-CG 4.13Å; L590-L594 HydrophobicContact CG-CD1 4.08Å; L590-L594 WeakPolarHBondContact O-CB 3.29Å; L590-L594 PolarHBondContact O-N 3.45Å; H592-L594 VanDerWaalsContact C-N 3.35Å
595	Q	98.3	Very high	98	Very high	43 Å²	43	41.1 Å²	41.1	20%	0.201	20%	0.197	C	C	.	.			trans	-70.2	134.7	162.7	-68	-66.1	-0.7	0	0	110.1	D591 K600 R601	D591-Q595 PolarHBondContact O-N 3.25Å; Q595-K600 HydrophobicContact CB-CB 4.34Å; Q595-K600 HydrophobicContact CG-CB 4.46Å; Q595-R601 HydrophobicContact CB-CB 4.15Å; Q595-R601 HydrophobicContact CB-CG 4.45Å; Q595-R601 PolarHBondContact O-NE 2.81Å; Q595-R601 PolarHBondContact O-NH2 3.46Å
596	L	98.1	Very high	98.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-64.2	-53.7	-179.5	-63.1	175.1	0	0	0	110.2	P497 W513 I541 C545 G546 P548 I552 W553 P598 R601	P497-L596 HydrophobicContact CG-CD2 4.13Å; W513-L596 HydrophobicContact CH2-CD2 4.14Å; W513-L596 HydrophobicContact CZ3-CD2 4.35Å; I541-L596 HydrophobicContact CG2-CD2 4.09Å; C545-L596 HydrophobicContact CB-CD2 3.67Å; C545-L596 HydrophobicContact CB-CG 4.28Å; G546-L596 VanDerWaalsContact O-CD1 3.32Å; G546-L596 WeakPolarHBondContact O-CD1 3.4Å; P548-L596 HydrophobicContact CB-CD1 4.21Å; I552-L596 HydrophobicContact CG2-CD1 4.12Å; W553-L596 HydrophobicContact CE3-CB 4.07Å; L596-P598 VanDerWaalsContact O-CD 3.31Å; L596-P598 WeakPolarHBondContact O-CD 3.15Å; L596-R601 PolarHBondContact O-NH2 2.92Å
597	D	97.7	Very high	98.1	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.037	20%	0.201	C	C	.	.	S	Bend	trans	-63.8	116.7	174.5	-174.6	-15.8	0	0	0	111.2	W553 Q599 K600 R601	W553-D597 HydrophobicContact CB-CB 3.99Å; W553-D597 HydrophobicContact CD2-CB 4.31Å; W553-D597 HydrophobicContact CG-CB 3.71Å; D597-Q599 PolarHBondContact O-N 3.11Å; D597-Q599 VanDerWaalsContact O-N 3.16Å; D597-Q599 WeakPolarHBondContact OD1-CB 3.39Å; D597-Q599 PolarHBondContact OD1-N 2.8Å; D597-K600 HydrophobicContact CB-CB 4.16Å; D597-K600 HydrophobicContact CB-CD 3.92Å; D597-K600 HydrophobicContact CB-CG 4Å; D597-K600 PolarHBondContact O-N 3.36Å; D597-K600 WeakPolarHBondContact OD2-CE 3.43Å; D597-K600 IonicContact OD2-NZ 3.34Å; D597-R601 PolarHBondContact O-N 3.22Å
598	P	97.2	Very high	98.1	Very high	35 Å²	35	42.3 Å²	42.3	23%	0.227	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.3	178.8	-23.3	34.8	0	0	0	114.1	E498 A509 W553 L596	E498-P598 HydrophobicContact CB-CG 3.99Å; E498-P598 VanDerWaalsContact CD-CG 3.47Å; E498-P598 HydrophobicContact CG-CG 3.89Å; A509-P598 HydrophobicContact CB-CB 3.94Å; W553-P598 HydrophobicContact CZ2-CG 3.97Å; L596-P598 VanDerWaalsContact O-CD 3.31Å; L596-P598 WeakPolarHBondContact O-CD 3.15Å
599	Q	95.7	Very high	98.1	Very high	166 Å²	166	43.2 Å²	43.2	78%	0.776	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-20.6	177.3	-53.9	-173.6	16.3	0	0	112.5	D597	D597-Q599 PolarHBondContact O-N 3.11Å; D597-Q599 VanDerWaalsContact O-N 3.16Å; D597-Q599 WeakPolarHBondContact OD1-CB 3.39Å; D597-Q599 PolarHBondContact OD1-N 2.8Å
600	K	97.3	Very high	98.1	Very high	100 Å²	100	43.7 Å²	43.7	44%	0.435	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-10.3	176.3	-59.9	177.4	-172.5	172.1	0	112.6	I552 Q595 D597	I552-K600 PolarHBondContact O-NZ 2.65Å; Q595-K600 HydrophobicContact CB-CB 4.34Å; Q595-K600 HydrophobicContact CG-CB 4.46Å; D597-K600 HydrophobicContact CB-CB 4.16Å; D597-K600 HydrophobicContact CB-CD 3.92Å; D597-K600 HydrophobicContact CB-CG 4Å; D597-K600 PolarHBondContact O-N 3.36Å; D597-K600 WeakPolarHBondContact OD2-CE 3.43Å; D597-K600 IonicContact OD2-NZ 3.34Å
601	R	98.3	Very high	98	Very high	14 Å²	14	47 Å²	47	5%	0.053	24%	0.242	C	C	.	.	S	Bend	trans	-77.4	128.3	178.1	-158.8	-178.5	-58.6	150.4	5.3	109.7	E498 A509 I512 M593 Q595 L596 D597	E498-R601 IonicContact OE1-CZ 3.91Å; E498-R601 IonicContact OE1-NH1 2.8Å; E498-R601 PolarHBondContact OE1-NH1 2.69Å; E498-R601 IonicContact OE1-NH2 2.69Å; E498-R601 IonicContact OE2-CZ 3.25Å; E498-R601 IonicContact OE2-NH1 3.77Å; E498-R601 PolarHBondContact OE2-NH1 3.39Å; E498-R601 IonicContact OE2-NH2 2.78Å; E498-R601 PolarHBondContact OE2-NH2 3.42Å; A509-R601 WeakPolarHBondContact O-CD 3.33Å; A509-R601 PolarHBondContact O-NH1 3.14Å; I512-R601 HydrophobicContact CG2-CG 4.49Å; M593-R601 VanDerWaalsContact O-CD 3.26Å; M593-R601 WeakPolarHBondContact O-CD 3.4Å; M593-R601 VanDerWaalsContact O-CG 3.28Å; M593-R601 WeakPolarHBondContact O-CG 3.46Å; Q595-R601 HydrophobicContact CB-CB 4.15Å; Q595-R601 HydrophobicContact CB-CG 4.45Å; Q595-R601 PolarHBondContact O-NE 2.81Å; Q595-R601 PolarHBondContact O-NH2 3.46Å; L596-R601 PolarHBondContact O-NH2 2.92Å; D597-R601 PolarHBondContact O-N 3.22Å
602	C	98.5	Very high	98	Very high	15 Å²	15	47 Å²	47	10%	0.101	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-61.9	149	-177.2	60.7	0	0	0	0	112.4	I512 H592 E606	I512-C602 WeakPolarHBondContact CG2-O 3.36Å; H592-C602 HydrophobicContact CB-CB 4.26Å; H592-C602 PolarHBondContact O-N 2.77Å; C602-E606 HydrophobicContact CB-CB 4.12Å
603	S	98.5	Very high	98	Very high	49 Å²	49	42.6 Å²	42.6	34%	0.343	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-73.5	167	167.6	68.4	0	0	0	0	112.3	R605 E606 A607	S603-R605 PolarHBondContact O-N 3.33Å; S603-E606 WeakPolarHBondContact CB-OE2 3.25Å; S603-E606 PolarHBondContact N-OE2 2.98Å; S603-E606 PolarHBondContact O-N 3.35Å; S603-E606 WeakPolarHBondContact OG-CG 3.13Å; S603-E606 PolarHBondContact OG-N 3.15Å; S603-E606 PolarHBondContact OG-OE2 2.9Å; S603-A607 WeakPolarHBondContact O-CB 3.44Å; S603-A607 PolarHBondContact O-N 2.86Å
604	A	98.5	Very high	97.9	Very high	2 Å²	2	49.8 Å²	49.8	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-36.3	173.4	0	0	0	0	0	112.1	L439 I512 A607 L608	L439-A604 HydrophobicContact CG-CB 4.48Å; I512-A604 HydrophobicContact CD1-CB 3.78Å; I512-A604 VanDerWaalsContact CD1-N 3.34Å; A604-A607 PolarHBondContact O-N 3.26Å; A604-L608 VanDerWaalsContact O-CG 3.24Å; A604-L608 WeakPolarHBondContact O-CG 3.38Å; A604-L608 PolarHBondContact O-N 2.81Å
605	R	98	Very high	97.7	Very high	151 Å²	151	56.2 Å²	56.2	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-69	-40.5	179.6	-169.5	178.6	-66.8	175.4	-0.3	112.5	D444 S603 L608 A609	D444-R605 IonicContact OD1-CZ 2.87Å; D444-R605 IonicContact OD1-NH2 2.69Å; D444-R605 PolarHBondContact OD1-NH2 2.92Å; D444-R605 IonicContact OD2-CZ 2.89Å; D444-R605 IonicContact OD2-NH2 3.69Å; D444-R605 PolarHBondContact OD2-NH2 2.88Å; S603-R605 PolarHBondContact O-N 3.33Å; R605-L608 PolarHBondContact O-N 3.37Å; R605-A609 PolarHBondContact O-N 3.22Å
606	E	98.4	Very high	97.6	Very high	119 Å²	119	56 Å²	56	56%	0.556	28%	0.281	S	S	*	.	H	α-helix	trans	-69.3	-40	174.7	-70.1	156.8	129.3	0	0	111.2	C602 S603 L608 A609 S610	C602-E606 HydrophobicContact CB-CB 4.12Å; S603-E606 WeakPolarHBondContact CB-OE2 3.25Å; S603-E606 PolarHBondContact N-OE2 2.98Å; S603-E606 PolarHBondContact O-N 3.35Å; S603-E606 WeakPolarHBondContact OG-CG 3.13Å; S603-E606 PolarHBondContact OG-N 3.15Å; S603-E606 PolarHBondContact OG-OE2 2.9Å; E606-L608 VanDerWaalsContact C-N 3.33Å; E606-L608 PolarHBondContact O-N 3.11Å; E606-A609 CarbonylContact O-C 3.27Å; E606-A609 PolarHBondContact O-N 2.83Å; E606-A609 VanDerWaalsContact O-N 3.07Å; E606-S610 PolarHBondContact O-N 3.15Å
607	A	98.6	Very high	97.5	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-58.7	-42	173.3	0	0	0	0	0	112.2	L436 L589 S603 A604 A609 S610	L436-A607 HydrophobicContact CD1-CB 3.74Å; L436-A607 HydrophobicContact CD2-CB 4.06Å; L436-A607 HydrophobicContact CG-CB 4.47Å; L589-A607 HydrophobicContact CD1-CB 3.79Å; S603-A607 WeakPolarHBondContact O-CB 3.44Å; S603-A607 PolarHBondContact O-N 2.86Å; A604-A607 PolarHBondContact O-N 3.26Å; A607-A609 VanDerWaalsContact C-N 3.27Å; A607-A609 PolarHBondContact O-N 3.47Å; A607-S610 VanDerWaalsContact O-CB 3.27Å; A607-S610 WeakPolarHBondContact O-CB 3.37Å; A607-S610 PolarHBondContact O-N 2.81Å; A607-S610 PolarHBondContact O-OG 2.63Å
608	L	98.3	Very high	97.4	Very high	21 Å²	21	59.9 Å²	59.9	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-25.5	174.4	-74.4	167.9	0	0	0	114.4	K433 L436 D437 A604 R605 E606	K433-L608 HydrophobicContact CD-CD2 3.77Å; K433-L608 HydrophobicContact CG-CD2 4.37Å; K433-L608 PolarHBondContact NZ-O 3.24Å; K433-L608 WeakPolarHBondContact O-CD2 3.39Å; L436-L608 HydrophobicContact CB-CD2 3.69Å; L436-L608 HydrophobicContact CB-CG 3.83Å; D437-L608 HydrophobicContact CB-CD1 4.44Å; D437-L608 HydrophobicContact CB-CD2 4.23Å; A604-L608 VanDerWaalsContact O-CG 3.24Å; A604-L608 WeakPolarHBondContact O-CG 3.38Å; A604-L608 PolarHBondContact O-N 2.81Å; R605-L608 PolarHBondContact O-N 3.37Å; E606-L608 VanDerWaalsContact C-N 3.33Å; E606-L608 PolarHBondContact O-N 3.11Å
609	A	98	Very high	97.2	Very high	67 Å²	67	64.1 Å²	64.1	55%	0.554	33%	0.329	S	S	*	.	H	α-helix	trans	-92.7	-5.3	178.6	0	0	0	0	0	113.7	R605 E606 A607	R605-A609 PolarHBondContact O-N 3.22Å; E606-A609 CarbonylContact O-C 3.27Å; E606-A609 PolarHBondContact O-N 2.83Å; E606-A609 VanDerWaalsContact O-N 3.07Å; A607-A609 VanDerWaalsContact C-N 3.27Å; A607-A609 PolarHBondContact O-N 3.47Å
610	S	97.8	Very high	97.2	Very high	15 Å²	15	64.2 Å²	64.2	11%	0.105	33%	0.327	C	S	.	.	S	Bend	trans	-54.1	152.5	177.7	64.3	0	0	0	0	112.8	E606 A607 W612 L613 R614	E606-S610 PolarHBondContact O-N 3.15Å; A607-S610 VanDerWaalsContact O-CB 3.27Å; A607-S610 WeakPolarHBondContact O-CB 3.37Å; A607-S610 PolarHBondContact O-N 2.81Å; A607-S610 PolarHBondContact O-OG 2.63Å; S610-W612 PolarHBondContact O-N 2.9Å; S610-L613 PolarHBondContact O-N 2.94Å; S610-L613 VanDerWaalsContact O-N 3.13Å; S610-L613 PolarHBondContact OG-N 2.88Å; S610-R614 WeakPolarHBondContact O-CB 3.2Å; S610-R614 WeakPolarHBondContact O-CG 3.46Å; S610-R614 PolarHBondContact O-N 2.79Å
611	P	97.4	Very high	97	Very high	70 Å²	70	61 Å²	61	46%	0.455	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-33.6	-179.5	-28.9	36.3	0	0	0	114.3
612	W	97.7	Very high	96.8	Very high	19 Å²	19	64 Å²	64	7%	0.072	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-46.8	178.4	-166.7	52.5	0	0	0	113.1	E425 I428 A429 M432 L519 F523 H585 A586 L589 S610 I616	E425-W612 HydrophobicContact CG-CZ2 3.97Å; E425-W612 PolarHBondContact OE1-NE1 3.4Å; I428-W612 HydrophobicContact CB-CH2 4.48Å; I428-W612 HydrophobicContact CG2-CH2 4.01Å; A429-W612 HydrophobicContact CB-CH2 4.06Å; A429-W612 HydrophobicContact CB-CZ2 3.67Å; M432-W612 HydrophobicContact CB-CZ3 4.31Å; M432-W612 HydrophobicContact CG-CH2 4.45Å; M432-W612 HydrophobicContact CG-CZ3 4.15Å; L519-W612 HydrophobicContact CD1-CH2 3.88Å; L519-W612 HydrophobicContact CD1-CZ3 3.79Å; F523-W612 AromaticContact CE2-CH2 3.96Å; F523-W612 HydrophobicContact CE2-CH2 3.96Å; F523-W612 HydrophobicContact CE2-CZ2 4.17Å; F523-W612 HydrophobicContact CZ-CH2 4.16Å; F523-W612 AromaticContact CZ-CZ2 3.91Å; F523-W612 HydrophobicContact CZ-CZ2 3.91Å; H585-W612 HydrophobicContact CB-CB 3.86Å; H585-W612 HydrophobicContact CB-CG 4.29Å; A586-W612 HydrophobicContact CB-CD2 3.77Å; A586-W612 HydrophobicContact CB-CE3 4.07Å; A586-W612 HydrophobicContact CB-CG 4.32Å; A586-W612 HydrophobicContact CB-CH2 4.01Å; A586-W612 HydrophobicContact CB-CZ2 3.69Å; A586-W612 HydrophobicContact CB-CZ3 4.19Å; L589-W612 HydrophobicContact CD2-CE3 3.88Å; L589-W612 HydrophobicContact CD2-CZ3 4.26Å; S610-W612 PolarHBondContact O-N 2.9Å; W612-I616 VanDerWaalsContact O-CG1 3.27Å; W612-I616 WeakPolarHBondContact O-CG1 3.49Å
613	L	97.9	Very high	96.5	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-20.7	-172.2	-63.4	-175	0	0	0	114.5	A429 M432 K433 L436 L589 S610 N615 I616	A429-L613 HydrophobicContact CB-CD2 4.14Å; M432-L613 HydrophobicContact CB-CD1 4.14Å; M432-L613 HydrophobicContact CB-CD2 4.23Å; K433-L613 HydrophobicContact CD-CB 4.05Å; K433-L613 WeakPolarHBondContact CD-O 3.46Å; K433-L613 WeakPolarHBondContact CE-O 3.41Å; K433-L613 PolarHBondContact NZ-O 2.88Å; L436-L613 HydrophobicContact CD1-CD1 3.53Å; L589-L613 HydrophobicContact CD2-CD1 3.58Å; L589-L613 HydrophobicContact CD2-CG 4.01Å; S610-L613 PolarHBondContact O-N 2.94Å; S610-L613 VanDerWaalsContact O-N 3.13Å; S610-L613 PolarHBondContact OG-N 2.88Å; L613-N615 VanDerWaalsContact C-N 3.28Å; L613-N615 PolarHBondContact O-N 3.45Å; L613-I616 HydrophobicContact CD2-CG1 4.4Å; L613-I616 PolarHBondContact O-N 3.01Å; L613-I616 VanDerWaalsContact O-N 3.13Å
614	R	96.4	Very high	96	Very high	152 Å²	152	64.7 Å²	64.7	57%	0.574	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-39.6	-173.7	61	-176.6	178.6	175.2	-1	114.2	S610	S610-R614 WeakPolarHBondContact O-CB 3.2Å; S610-R614 WeakPolarHBondContact O-CG 3.46Å; S610-R614 PolarHBondContact O-N 2.79Å
615	N	95.4	Very high	95.7	Very high	135 Å²	135	76 Å²	76	72%	0.722	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	0	-176.1	-66.9	-9.5	0	0	0	113.8	L613 D617	L613-N615 VanDerWaalsContact C-N 3.28Å; L613-N615 PolarHBondContact O-N 3.45Å; N615-D617 PolarHBondContact O-N 2.91Å
616	I	96.4	Very high	95.4	Very high	38 Å²	38	69.5 Å²	69.5	20%	0.195	36%	0.36	C	S	.	.			trans	-78.5	121.6	-178.3	-63.6	-61.9	0	0	0	110	A429 K433 W612 L613 I621	A429-I616 HydrophobicContact CB-CD1 4.02Å; A429-I616 HydrophobicContact CB-CG1 4.07Å; A429-I616 HydrophobicContact CB-CG2 4.46Å; K433-I616 HydrophobicContact CB-CG2 4.08Å; K433-I616 HydrophobicContact CD-CB 4.46Å; K433-I616 HydrophobicContact CG-CG2 4.36Å; W612-I616 VanDerWaalsContact O-CG1 3.27Å; W612-I616 WeakPolarHBondContact O-CG1 3.49Å; L613-I616 HydrophobicContact CD2-CG1 4.4Å; L613-I616 PolarHBondContact O-N 3.01Å; L613-I616 VanDerWaalsContact O-N 3.13Å; I616-I621 HydrophobicContact CG2-CD1 3.99Å
617	D	95.9	Very high	94.9	Very high	51 Å²	51	65.1 Å²	65.1	27%	0.273	34%	0.342	S	S	.	.			trans	-110.9	102.7	170.5	-175.9	-17.6	0	0	0	109.7	N615 T619 K620	N615-D617 PolarHBondContact O-N 2.91Å; D617-T619 PolarHBondContact O-N 2.8Å; D617-T619 WeakPolarHBondContact OD1-CA 3.13Å; D617-T619 WeakPolarHBondContact OD1-CB 3.39Å; D617-T619 PolarHBondContact OD1-N 3.02Å; D617-T619 PolarHBondContact OD1-OG1 2.7Å; D617-T619 PolarHBondContact OD2-OG1 2.89Å; D617-K620 HydrophobicContact CB-CB 4.41Å; D617-K620 HydrophobicContact CB-CD 4.35Å; D617-K620 HydrophobicContact CB-CG 4.21Å; D617-K620 PolarHBondContact O-N 2.77Å; D617-K620 IonicContact OD2-NZ 3.37Å; D617-K620 PolarHBondContact OD2-NZ 3.01Å
618	P	95.3	Very high	94.5	Very high	37 Å²	37	69.9 Å²	69.9	24%	0.24	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-18.5	177.9	-28.6	37.6	0	0	0	115	S430 K433 Q434	S430-P618 WeakPolarHBondContact OG-CB 3.1Å; K433-P618 HydrophobicContact CB-CG 4.03Å; K433-P618 HydrophobicContact CG-CG 3.97Å; Q434-P618 HydrophobicContact CG-CB 3.9Å; Q434-P618 HydrophobicContact CG-CG 3.85Å
619	T	93.6	Very high	94	Very high	124 Å²	124	77 Å²	77	76%	0.761	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-15.1	179.3	73	0	0	0	0	113.7	D617	D617-T619 PolarHBondContact O-N 2.8Å; D617-T619 WeakPolarHBondContact OD1-CA 3.13Å; D617-T619 WeakPolarHBondContact OD1-CB 3.39Å; D617-T619 PolarHBondContact OD1-N 3.02Å; D617-T619 PolarHBondContact OD1-OG1 2.7Å; D617-T619 PolarHBondContact OD2-OG1 2.89Å
620	K	94.5	Very high	93.6	Very high	169 Å²	169	77.1 Å²	77.1	74%	0.735	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-15.3	177.7	-64.8	-170.1	-179.5	83	0	113.7	D617	D617-K620 HydrophobicContact CB-CB 4.41Å; D617-K620 HydrophobicContact CB-CD 4.35Å; D617-K620 HydrophobicContact CB-CG 4.21Å; D617-K620 PolarHBondContact O-N 2.77Å; D617-K620 IonicContact OD2-NZ 3.37Å; D617-K620 PolarHBondContact OD2-NZ 3.01Å
621	I	93.9	Very high	93.4	Very high	33 Å²	33	77.8 Å²	77.8	17%	0.169	40%	0.4	C	S	.	.	S	Bend	trans	-87.3	131.2	-178.7	-66.9	165.8	0	0	0	109	Q426 I616	Q426-I621 HydrophobicContact CB-CG2 4.36Å; I616-I621 HydrophobicContact CG2-CD1 3.99Å
622	S	93.7	Very high	93.2	Very high	76 Å²	76	74.5 Å²	74.5	53%	0.531	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-58.3	137.6	174.7	54	0	0	0	0	110.9	H427	H427-S622 PolarHBondContact NE2-O 3.21Å
623	P	91.6	Very high	93	Very high	68 Å²	68	74.2 Å²	74.2	44%	0.442	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-57	144.4	172.6	-25.6	35.2	0	0	0	111.8
624	P	89.7	Confident	92.8	Very high	11 Å²	11	76.5 Å²	76.5	7%	0.071	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-57.5	151.7	168	21.8	-29.9	0	0	0	110.8	V421 F423 L626	V421-P624 HydrophobicContact CG1-CB 4.46Å; F423-P624 HydrophobicContact CD1-CB 4.16Å; F423-P624 HydrophobicContact CD1-CG 4.38Å; F423-P624 HydrophobicContact CE1-CB 4.18Å; F423-P624 HydrophobicContact CE1-CG 4.06Å; P624-L626 HydrophobicContact CB-CG 4.4Å; P624-L626 HydrophobicContact CG-CD1 4.19Å; P624-L626 HydrophobicContact CG-CD2 4.25Å; P624-L626 HydrophobicContact CG-CG 4.01Å; P624-L626 PolarHBondContact O-N 3.29Å
625	R	91	Very high	92.5	Very high	239 Å²	239	72.1 Å²	72.1	90%	0.902	38%	0.375	S	S	*	.			trans	-70.4	80.5	174.4	-65	-174.1	-174.9	176.4	3.9	110
626	L	91.1	Very high	92.4	Very high	15 Å²	15	68.6 Å²	68.6	8%	0.079	35%	0.352	C	S	.	.			trans	-81.8	150	178.7	-65.8	171.4	0	0	0	111.2	I415 V421 I459 N460 P624 V628	I415-L626 HydrophobicContact CD1-CD2 3.79Å; I415-L626 HydrophobicContact CG1-CD2 4.28Å; I415-L626 HydrophobicContact CG2-CD2 4.43Å; V421-L626 HydrophobicContact CG1-CD2 4.22Å; V421-L626 HydrophobicContact CG2-CD2 4.14Å; I459-L626 HydrophobicContact CG2-CD1 3.97Å; N460-L626 VanDerWaalsContact O-CD1 3.23Å; N460-L626 WeakPolarHBondContact O-CD1 3.29Å; P624-L626 HydrophobicContact CB-CG 4.4Å; P624-L626 HydrophobicContact CG-CD1 4.19Å; P624-L626 HydrophobicContact CG-CD2 4.25Å; P624-L626 HydrophobicContact CG-CG 4.01Å; P624-L626 PolarHBondContact O-N 3.29Å; L626-V628 PolarHBondContact O-N 2.8Å
627	P	89.8	Confident	92.1	Very high	27 Å²	27	66.9 Å²	66.9	18%	0.175	34%	0.343	C	S	.	.			trans	-77.5	92.1	-177.7	30.5	-34	0	0	0	111.3	L420 D629 Q630 C632	L420-P627 HydrophobicContact CD1-CB 4.24Å; L420-P627 HydrophobicContact CD1-CG 4.23Å; P627-D629 VanDerWaalsContact C-N 3.25Å; P627-D629 PolarHBondContact O-N 2.74Å; P627-Q630 HydrophobicContact CB-CB 4.47Å; P627-Q630 CarbonylContact O-C 3.59Å; P627-Q630 PolarHBondContact O-N 3.44Å; P627-Q630 VanDerWaalsContact O-N 3.07Å; P627-Q630 VanDerWaalsContact O-O 3.12Å; P627-C632 WeakPolarHBondContact CG-SG 3.44Å
628	V	89.4	Confident	91.9	Very high	101 Å²	101	67 Å²	67	61%	0.612	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-35	-174.7	-168.5	0	0	0	0	113	L626 Q630	L626-V628 PolarHBondContact O-N 2.8Å; V628-Q630 VanDerWaalsContact C-N 3.34Å
629	D	88.1	Confident	91.7	Very high	169 Å²	169	73.2 Å²	73.2	90%	0.904	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.9	-179.1	-55.6	-61.7	0	0	0	114.2	P627	P627-D629 VanDerWaalsContact C-N 3.25Å; P627-D629 PolarHBondContact O-N 2.74Å
630	Q	90	Very high	91.5	Very high	71 Å²	71	71.4 Å²	71.4	33%	0.332	34%	0.339	S	S	.	.	S	Bend	trans	-139.7	101.9	-176.1	179.2	55.8	91.8	0	0	111.9	P627 V628 C632 W636	P627-Q630 HydrophobicContact CB-CB 4.47Å; P627-Q630 CarbonylContact O-C 3.59Å; P627-Q630 PolarHBondContact O-N 3.44Å; P627-Q630 VanDerWaalsContact O-N 3.07Å; P627-Q630 VanDerWaalsContact O-O 3.12Å; V628-Q630 VanDerWaalsContact C-N 3.34Å; Q630-C632 PolarHBondContact O-N 3.22Å; Q630-C632 VanDerWaalsContact O-N 3.16Å; Q630-C632 PolarHBondContact O-SG 3.33Å; Q630-W636 HydrophobicContact CG-CD2 4.45Å; Q630-W636 HydrophobicContact CG-CH2 4.01Å; Q630-W636 HydrophobicContact CG-CZ2 3.46Å; Q630-W636 VanDerWaalsContact CG-CZ2 3.46Å
631	D	93.3	Very high	91.2	Very high	29 Å²	29	69.1 Å²	69.1	16%	0.155	33%	0.326	C	S	.	.			trans	-53.1	119.8	169.9	-58.9	-44	0	0	0	109.9	K335 Y407 D409 H633	K335-D631 WeakPolarHBondContact CD-OD2 3.4Å; K335-D631 IonicContact NZ-OD1 2.73Å; K335-D631 PolarHBondContact NZ-OD1 3.2Å; K335-D631 IonicContact NZ-OD2 2.72Å; K335-D631 PolarHBondContact NZ-OD2 3.49Å; Y407-D631 PolarHBondContact OH-OD1 3.32Å; D409-D631 CarbonylContact O-C 3.58Å; D409-D631 WeakPolarHBondContact O-CA 3.47Å; D409-D631 WeakPolarHBondContact O-CB 3.48Å; D631-H633 PolarHBondContact O-N 2.92Å
632	C	92.3	Very high	91.1	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-104.6	79.1	-173.8	-72.7	0	0	0	0	110.2	D409 H410 D411 G414 I415 P627 Q630	D409-C632 PolarHBondContact O-N 3.26Å; D409-C632 VanDerWaalsContact O-N 3.16Å; H410-C632 WeakPolarHBondContact CA-O 3.37Å; H410-C632 HydrophobicContact CB-CB 4.08Å; H410-C632 WeakPolarHBondContact CB-O 3.42Å; H410-C632 WeakPolarHBondContact ND1-CB 3.38Å; H410-C632 PolarHBondContact ND1-N 2.84Å; H410-C632 VanDerWaalsContact ND1-N 3.13Å; D411-C632 PolarHBondContact N-O 3.07Å; G414-C632 WeakPolarHBondContact CA-O 3.19Å; I415-C632 HydrophobicContact CG1-CB 4.32Å; P627-C632 WeakPolarHBondContact CG-SG 3.44Å; Q630-C632 PolarHBondContact O-N 3.22Å; Q630-C632 VanDerWaalsContact O-N 3.16Å; Q630-C632 PolarHBondContact O-SG 3.33Å
633	H	93.8	Very high	91	Very high	14 Å²	14	72.9 Å²	72.9	7%	0.065	33%	0.331	C	S	.	.			trans	-99.3	159.4	177.1	-71.4	-61.5	0	0	0	113.2	Y407 M408 D411 D631 M635 W636 S637	Y407-H633 AromaticContact CE2-NE2 3.89Å; Y407-H633 AromaticContact CZ-NE2 3.71Å; Y407-H633 PolarHBondContact OH-NE2 3.39Å; M408-H633 PolarHBondContact O-CE1 3.03Å; M408-H633 PolarHBondContact O-NE2 2.75Å; D411-H633 WeakPolarHBondContact OD2-CA 3.07Å; D411-H633 WeakPolarHBondContact OD2-CB 3.47Å; D411-H633 IonicContact OD2-CG 2.73Å; D411-H633 IonicContact OD2-ND1 3.59Å; D411-H633 PolarHBondContact OD2-ND1 3.15Å; D631-H633 PolarHBondContact O-N 2.92Å; H633-M635 VanDerWaalsContact C-N 3.26Å; H633-M635 PolarHBondContact O-N 3.36Å; H633-W636 PolarHBondContact O-N 3.22Å; H633-W636 VanDerWaalsContact O-N 3.17Å; H633-S637 WeakPolarHBondContact O-CB 3.4Å; H633-S637 PolarHBondContact O-N 2.92Å; H633-S637 PolarHBondContact O-OG 3.42Å
634	E	93	Very high	90.9	Very high	48 Å²	48	73.4 Å²	73.4	22%	0.224	33%	0.329	C	S	.	.	H	α-helix	trans	-50.3	-45.9	175.4	-170.6	-164.3	-132.1	0	0	111.8	D411 Y413 S637 K638	D411-E634 PolarHBondContact OD1-N 3.07Å; D411-E634 PolarHBondContact OD2-N 3.28Å; Y413-E634 HydrophobicContact CD1-CB 3.96Å; Y413-E634 HydrophobicContact CD1-CG 3.53Å; Y413-E634 HydrophobicContact CE1-CB 4.47Å; Y413-E634 HydrophobicContact CE1-CG 3.65Å; Y413-E634 HydrophobicContact CG-CG 4.14Å; E634-S637 PolarHBondContact O-N 3.47Å; E634-K638 HydrophobicContact CG-CD 3.93Å; E634-K638 VanDerWaalsContact CG-CE 3.49Å; E634-K638 HydrophobicContact CG-CG 4.37Å; E634-K638 WeakPolarHBondContact O-CB 3.46Å; E634-K638 WeakPolarHBondContact O-CG 3.27Å; E634-K638 PolarHBondContact O-N 2.91Å; E634-K638 VanDerWaalsContact OE1-CE 3.32Å; E634-K638 WeakPolarHBondContact OE1-CE 3.37Å; E634-K638 IonicContact OE1-NZ 3.89Å; E634-K638 PolarHBondContact OE1-NZ 2.81Å; E634-K638 IonicContact OE2-NZ 3.21Å; E634-K638 PolarHBondContact OE2-NZ 3.46Å
635	M	91.7	Very high	90.9	Very high	59 Å²	59	80.2 Å²	80.2	29%	0.291	35%	0.354	S	S	.	.	H	α-helix	trans	-67.1	-38.9	-177.9	-173.2	170.7	70	0	0	112.8	Q324 E327 H633 R639	Q324-M635 HydrophobicContact CB-CE 4.04Å; Q324-M635 HydrophobicContact CG-CE 3.89Å; Q324-M635 WeakPolarHBondContact O-CE 3.37Å; E327-M635 HydrophobicContact CB-SD 4.44Å; H633-M635 VanDerWaalsContact C-N 3.26Å; H633-M635 PolarHBondContact O-N 3.36Å; M635-R639 VanDerWaalsContact O-CB 3.31Å; M635-R639 WeakPolarHBondContact O-CB 3.24Å; M635-R639 PolarHBondContact O-N 3.07Å
636	W	92.3	Very high	90.9	Very high	61 Å²	61	74.3 Å²	74.3	23%	0.231	34%	0.336	C	S	.	.	H	α-helix	trans	-63.7	-44.4	173.3	172.8	89.1	0	0	0	110.7	L420 Q630 H633 R639 R640	L420-W636 HydrophobicContact CD1-CH2 4.19Å; Q630-W636 HydrophobicContact CG-CD2 4.45Å; Q630-W636 HydrophobicContact CG-CH2 4.01Å; Q630-W636 HydrophobicContact CG-CZ2 3.46Å; Q630-W636 VanDerWaalsContact CG-CZ2 3.46Å; H633-W636 PolarHBondContact O-N 3.22Å; H633-W636 VanDerWaalsContact O-N 3.17Å; W636-R639 CarbonylContact O-C 3.28Å; W636-R639 WeakPolarHBondContact O-CA 3.32Å; W636-R639 WeakPolarHBondContact O-CB 3.37Å; W636-R639 PolarHBondContact O-N 3.39Å; W636-R639 VanDerWaalsContact O-N 3.14Å; W636-R640 PolarHBondContact O-N 2.9Å
637	S	90.3	Very high	90.9	Very high	2 Å²	2	79.1 Å²	79.1	1%	0.014	36%	0.358	C	S	.	.	H	α-helix	trans	-66.2	-46.8	-177.3	-49.8	0	0	0	0	111.6	G414 H633 E634 R639 R640 R641	G414-S637 VanDerWaalsContact CA-OG 3.24Å; G414-S637 WeakPolarHBondContact CA-OG 3.12Å; G414-S637 PolarHBondContact O-OG 2.89Å; H633-S637 WeakPolarHBondContact O-CB 3.4Å; H633-S637 PolarHBondContact O-N 2.92Å; H633-S637 PolarHBondContact O-OG 3.42Å; E634-S637 PolarHBondContact O-N 3.47Å; S637-R639 VanDerWaalsContact C-N 3.27Å; S637-R639 PolarHBondContact O-N 2.96Å; S637-R640 PolarHBondContact O-N 3.4Å; S637-R641 WeakPolarHBondContact O-CB 3.36Å; S637-R641 PolarHBondContact O-N 3.14Å
638	K	90.6	Very high	90.9	Very high	54 Å²	54	84.2 Å²	84.2	24%	0.235	38%	0.38	C	S	.	.	H	α-helix	trans	-59.9	-34.6	171.3	-73	176.9	-179.4	170.1	0	112.2	E634 R642	E634-K638 HydrophobicContact CG-CD 3.93Å; E634-K638 VanDerWaalsContact CG-CE 3.49Å; E634-K638 HydrophobicContact CG-CG 4.37Å; E634-K638 WeakPolarHBondContact O-CB 3.46Å; E634-K638 WeakPolarHBondContact O-CG 3.27Å; E634-K638 PolarHBondContact O-N 2.91Å; E634-K638 VanDerWaalsContact OE1-CE 3.32Å; E634-K638 WeakPolarHBondContact OE1-CE 3.37Å; E634-K638 IonicContact OE1-NZ 3.89Å; E634-K638 PolarHBondContact OE1-NZ 2.81Å; E634-K638 IonicContact OE2-NZ 3.21Å; E634-K638 PolarHBondContact OE2-NZ 3.46Å; K638-R642 WeakPolarHBondContact O-CB 3.28Å; K638-R642 WeakPolarHBondContact O-CD 3.37Å; K638-R642 WeakPolarHBondContact O-CG 3.4Å; K638-R642 PolarHBondContact O-N 2.89Å
639	R	91.4	Very high	90.9	Very high	168 Å²	168	84 Å²	84	63%	0.634	37%	0.372	S	S	*	.	H	α-helix	trans	-69	-46.5	173.7	-175.7	178	176.6	170.5	-0.8	111.5	M635 W636 S637 R642 M643	M635-R639 VanDerWaalsContact O-CB 3.31Å; M635-R639 WeakPolarHBondContact O-CB 3.24Å; M635-R639 PolarHBondContact O-N 3.07Å; W636-R639 CarbonylContact O-C 3.28Å; W636-R639 WeakPolarHBondContact O-CA 3.32Å; W636-R639 WeakPolarHBondContact O-CB 3.37Å; W636-R639 PolarHBondContact O-N 3.39Å; W636-R639 VanDerWaalsContact O-N 3.14Å; S637-R639 VanDerWaalsContact C-N 3.27Å; S637-R639 PolarHBondContact O-N 2.96Å; R639-R642 PolarHBondContact O-N 2.88Å; R639-M643 HydrophobicContact CG-CE 4.18Å; R639-M643 HydrophobicContact CG-SD 4.16Å; R639-M643 WeakPolarHBondContact O-CG 3.43Å; R639-M643 PolarHBondContact O-N 3.42Å
640	R	90.2	Very high	91	Very high	85 Å²	85	79.4 Å²	79.4	32%	0.321	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-48.3	177	-171.8	175.7	177.4	-146.4	-0.5	111.8	S418 W636 S637 R642 M643 L644	S418-R640 PolarHBondContact O-NH1 3.39Å; W636-R640 PolarHBondContact O-N 2.9Å; S637-R640 PolarHBondContact O-N 3.4Å; R640-R642 VanDerWaalsContact C-N 3.28Å; R640-R642 PolarHBondContact O-N 2.92Å; R640-M643 PolarHBondContact O-N 3.16Å; R640-L644 HydrophobicContact CG-CD1 4.08Å; R640-L644 WeakPolarHBondContact O-CG 3.38Å; R640-L644 PolarHBondContact O-N 3.17Å
641	R	88.9	Confident	90.9	Very high	121 Å²	121	80.6 Å²	80.6	46%	0.457	35%	0.354	S	S	.	.	H	α-helix	trans	-56.8	-39.4	175	-167.8	-161.9	-77.8	-167.3	-6.6	112.2	E417 S637 R645	E417-R641 IonicContact OE1-CZ 3.8Å; E417-R641 VanDerWaalsContact OE1-CZ 3.25Å; E417-R641 IonicContact OE1-NE 2.72Å; E417-R641 PolarHBondContact OE1-NE 3.44Å; E417-R641 IonicContact OE1-NH2 3.46Å; E417-R641 PolarHBondContact OE1-NH2 3Å; E417-R641 IonicContact OE2-CZ 3.76Å; E417-R641 IonicContact OE2-NE 3.93Å; E417-R641 IonicContact OE2-NH2 2.7Å; E417-R641 PolarHBondContact OE2-NH2 3.22Å; S637-R641 WeakPolarHBondContact O-CB 3.36Å; S637-R641 PolarHBondContact O-N 3.14Å; R641-R645 PolarHBondContact O-N 2.73Å
642	R	91.1	Very high	90.6	Very high	109 Å²	109	81.9 Å²	81.9	41%	0.411	37%	0.369	S	S	.	.	H	α-helix	trans	-68.2	-42.5	176.2	-75.6	167.6	175.3	170.5	-2.3	112.7	K638 R639 R640 R645 Q646	K638-R642 WeakPolarHBondContact O-CB 3.28Å; K638-R642 WeakPolarHBondContact O-CD 3.37Å; K638-R642 WeakPolarHBondContact O-CG 3.4Å; K638-R642 PolarHBondContact O-N 2.89Å; R639-R642 PolarHBondContact O-N 2.88Å; R640-R642 VanDerWaalsContact C-N 3.28Å; R640-R642 PolarHBondContact O-N 2.92Å; R642-R645 PolarHBondContact O-N 2.71Å; R642-Q646 WeakPolarHBondContact O-CG 3.31Å; R642-Q646 PolarHBondContact O-N 2.97Å; R642-Q646 VanDerWaalsContact O-N 3.14Å
643	M	91.1	Very high	90.3	Very high	79 Å²	79	87 Å²	87	39%	0.389	39%	0.393	S	S	.	.	H	α-helix	trans	-66.4	-46.4	178.4	-65.8	-179.1	-49.2	0	0	111.4	R639 R640 R645 Q646 E647	R639-M643 HydrophobicContact CG-CE 4.18Å; R639-M643 HydrophobicContact CG-SD 4.16Å; R639-M643 WeakPolarHBondContact O-CG 3.43Å; R639-M643 PolarHBondContact O-N 3.42Å; R640-M643 PolarHBondContact O-N 3.16Å; M643-R645 VanDerWaalsContact C-N 3.29Å; M643-R645 PolarHBondContact O-N 2.89Å; M643-Q646 PolarHBondContact O-N 2.7Å; M643-E647 WeakPolarHBondContact O-CG 3.34Å; M643-E647 PolarHBondContact O-N 3.28Å
644	L	89.6	Confident	89.8	Confident	79 Å²	79	94 Å²	94	41%	0.414	42%	0.418	S	S	.	.	H	α-helix	trans	-57.5	-39.6	176.1	-71.4	168.9	0	0	0	112.6	R640 E647 Q648	R640-L644 HydrophobicContact CG-CD1 4.08Å; R640-L644 WeakPolarHBondContact O-CG 3.38Å; R640-L644 PolarHBondContact O-N 3.17Å; L644-E647 PolarHBondContact O-N 3.12Å; L644-Q648 VanDerWaalsContact O-CG 3.3Å; L644-Q648 WeakPolarHBondContact O-CG 3.46Å; L644-Q648 PolarHBondContact O-N 2.67Å
645	R	90.5	Very high	89.3	Confident	155 Å²	155	96 Å²	96	59%	0.585	43%	0.43	S	S	*	.	H	α-helix	trans	-64.3	-44.5	174.4	-172.8	-175.7	-69.8	-169.7	-5.2	111.8	R641 R642 M643 E647 Q648 E649	R641-R645 PolarHBondContact O-N 2.73Å; R642-R645 PolarHBondContact O-N 2.71Å; M643-R645 VanDerWaalsContact C-N 3.29Å; M643-R645 PolarHBondContact O-N 2.89Å; R645-E647 VanDerWaalsContact C-N 3.32Å; R645-E647 PolarHBondContact O-N 2.77Å; R645-Q648 PolarHBondContact O-N 3.37Å; R645-E649 WeakPolarHBondContact CD-OE1 3.12Å; R645-E649 HydrophobicContact CG-CG 4.48Å; R645-E649 VanDerWaalsContact CG-OE1 3.32Å; R645-E649 WeakPolarHBondContact CG-OE1 3.37Å; R645-E649 WeakPolarHBondContact O-CG 3.39Å; R645-E649 PolarHBondContact O-N 2.79Å
646	Q	91.1	Very high	88.6	Confident	115 Å²	115	96.2 Å²	96.2	54%	0.537	44%	0.437	S	S	.	.	H	α-helix	trans	-63.8	-36.7	177.8	-71.7	175.7	-31.1	0	0	112.2	R642 M643 E649 V650	R642-Q646 WeakPolarHBondContact O-CG 3.31Å; R642-Q646 PolarHBondContact O-N 2.97Å; R642-Q646 VanDerWaalsContact O-N 3.14Å; M643-Q646 PolarHBondContact O-N 2.7Å; Q646-E649 PolarHBondContact O-N 2.72Å; Q646-V650 WeakPolarHBondContact O-CB 3.17Å; Q646-V650 VanDerWaalsContact O-CG2 3.28Å; Q646-V650 WeakPolarHBondContact O-CG2 3.42Å; Q646-V650 PolarHBondContact O-N 3.41Å
647	E	90.5	Very high	87.8	Confident	116 Å²	116	101.9 Å²	101.9	54%	0.542	46%	0.459	S	S	.	.	H	α-helix	trans	-64.8	-42.1	173.6	-71.7	165.8	-164.8	0	0	112	M643 L644 R645 V650 K651	M643-E647 WeakPolarHBondContact O-CG 3.34Å; M643-E647 PolarHBondContact O-N 3.28Å; L644-E647 PolarHBondContact O-N 3.12Å; R645-E647 VanDerWaalsContact C-N 3.32Å; R645-E647 PolarHBondContact O-N 2.77Å; E647-V650 PolarHBondContact O-N 2.93Å; E647-K651 PolarHBondContact O-N 2.77Å
648	Q	89.1	Confident	86.9	Confident	134 Å²	134	107.3 Å²	107.3	63%	0.626	48%	0.484	S	S	*	.	H	α-helix	trans	-63.5	-45.2	174.1	-71.8	170.3	-8.5	0	0	112	L644 R645 V650 K651 A652	L644-Q648 VanDerWaalsContact O-CG 3.3Å; L644-Q648 WeakPolarHBondContact O-CG 3.46Å; L644-Q648 PolarHBondContact O-N 2.67Å; R645-Q648 PolarHBondContact O-N 3.37Å; Q648-V650 PolarHBondContact O-N 2.86Å; Q648-K651 PolarHBondContact O-N 3.07Å; Q648-A652 WeakPolarHBondContact O-CB 3.37Å; Q648-A652 PolarHBondContact O-N 3.01Å
649	E	89.8	Confident	85.9	Confident	95 Å²	95	109 Å²	109	44%	0.444	50%	0.499	S	S	.	.	H	α-helix	trans	-60.4	-41.7	175.4	-73.5	167.9	-166.9	0	0	111.9	R645 Q646 A652 Q653	R645-E649 WeakPolarHBondContact CD-OE1 3.12Å; R645-E649 HydrophobicContact CG-CG 4.48Å; R645-E649 VanDerWaalsContact CG-OE1 3.32Å; R645-E649 WeakPolarHBondContact CG-OE1 3.37Å; R645-E649 WeakPolarHBondContact O-CG 3.39Å; R645-E649 PolarHBondContact O-N 2.79Å; Q646-E649 PolarHBondContact O-N 2.72Å; E649-A652 PolarHBondContact O-N 3.22Å; E649-Q653 WeakPolarHBondContact O-CB 3.48Å; E649-Q653 VanDerWaalsContact O-CG 3.32Å; E649-Q653 WeakPolarHBondContact O-CG 3.4Å; E649-Q653 PolarHBondContact O-N 3.13Å
650	V	89.7	Confident	84.6	Confident	74 Å²	74	104.9 Å²	104.9	45%	0.448	50%	0.496	S	S	.	.	H	α-helix	trans	-69.6	-39.5	176.6	169.8	0	0	0	0	111.8	Q646 E647 Q648 Q653 R654	Q646-V650 WeakPolarHBondContact O-CB 3.17Å; Q646-V650 VanDerWaalsContact O-CG2 3.28Å; Q646-V650 WeakPolarHBondContact O-CG2 3.42Å; Q646-V650 PolarHBondContact O-N 3.41Å; E647-V650 PolarHBondContact O-N 2.93Å; Q648-V650 PolarHBondContact O-N 2.86Å; V650-Q653 PolarHBondContact O-N 3.34Å; V650-R654 PolarHBondContact O-N 2.74Å; V650-R654 VanDerWaalsContact O-N 3.11Å
651	K	88.5	Confident	83.2	Confident	96 Å²	96	105.5 Å²	105.5	42%	0.417	51%	0.513	S	S	.	.	H	α-helix	trans	-60.9	-45.8	172.6	-79.3	-165	174.1	-166.3	0	111.3	E647 Q648 Q653 R654 I655 D754	E647-K651 PolarHBondContact O-N 2.77Å; Q648-K651 PolarHBondContact O-N 3.07Å; K651-Q653 VanDerWaalsContact C-N 3.31Å; K651-Q653 PolarHBondContact O-N 3.43Å; K651-R654 PolarHBondContact O-N 2.7Å; K651-R654 VanDerWaalsContact O-N 3.11Å; K651-I655 WeakPolarHBondContact O-CG1 3.15Å; K651-I655 PolarHBondContact O-N 3.06Å; K651-D754 IonicContact NZ-OD1 3.56Å; K651-D754 IonicContact NZ-OD2 3.59Å; K651-D754 PolarHBondContact NZ-OD2 2.94Å
652	A	87.3	Confident	81.6	Confident	56 Å²	56	103.3 Å²	103.3	46%	0.463	52%	0.517	S	S	.	.	H	α-helix	trans	-61.6	-36.8	175.9	0	0	0	0	0	113	Q648 E649 R654 S656	Q648-A652 WeakPolarHBondContact O-CB 3.37Å; Q648-A652 PolarHBondContact O-N 3.01Å; E649-A652 PolarHBondContact O-N 3.22Å; A652-R654 VanDerWaalsContact C-N 3.32Å; A652-R654 PolarHBondContact O-N 2.79Å; A652-S656 PolarHBondContact O-N 2.91Å; A652-S656 VanDerWaalsContact O-N 3.15Å; A652-S656 PolarHBondContact O-OG 3.43Å
653	Q	85.7	Confident	79.6	Confident	106 Å²	106	106.9 Å²	106.9	50%	0.495	54%	0.535	S	S	.	.	H	α-helix	trans	-71.4	-19	175	-75.8	178.9	52.2	0	0	114.5	E649 V650 K651 S656 R657	E649-Q653 WeakPolarHBondContact O-CB 3.48Å; E649-Q653 VanDerWaalsContact O-CG 3.32Å; E649-Q653 WeakPolarHBondContact O-CG 3.4Å; E649-Q653 PolarHBondContact O-N 3.13Å; V650-Q653 PolarHBondContact O-N 3.34Å; K651-Q653 VanDerWaalsContact C-N 3.31Å; K651-Q653 PolarHBondContact O-N 3.43Å; Q653-S656 WeakPolarHBondContact CA-OG 3.25Å; Q653-S656 PolarHBondContact O-OG 2.88Å; Q653-R657 WeakPolarHBondContact O-CD 3.46Å; Q653-R657 WeakPolarHBondContact O-CG 3.46Å
654	R	84.2	Confident	77.5	Confident	161 Å²	161	112.3 Å²	112.3	61%	0.608	56%	0.557	S	S	*	*	H	α-helix	trans	-79.7	-51.8	171.3	-72.3	-178	-177.7	-164.4	0.2	111.1	V650 K651 A652 S656 R657 E658	V650-R654 PolarHBondContact O-N 2.74Å; V650-R654 VanDerWaalsContact O-N 3.11Å; K651-R654 PolarHBondContact O-N 2.7Å; K651-R654 VanDerWaalsContact O-N 3.11Å; A652-R654 VanDerWaalsContact C-N 3.32Å; A652-R654 PolarHBondContact O-N 2.79Å; R654-S656 PolarHBondContact O-N 3.02Å; R654-R657 WeakPolarHBondContact O-CA 3.39Å; R654-R657 WeakPolarHBondContact O-CB 3.33Å; R654-R657 PolarHBondContact O-N 2.91Å; R654-E658 PolarHBondContact O-N 2.68Å
655	I	80.9	Confident	75.4	Confident	90 Å²	90	114.2 Å²	114.2	46%	0.462	57%	0.574	S	S	.	*	H	α-helix	trans	-55	-40.3	179	-63.3	164	0	0	0	111.3	K651 R657 T659	K651-I655 WeakPolarHBondContact O-CG1 3.15Å; K651-I655 PolarHBondContact O-N 3.06Å; I655-R657 VanDerWaalsContact C-N 3.34Å; I655-R657 PolarHBondContact O-N 3.25Å; I655-T659 WeakPolarHBondContact O-CB 3.3Å; I655-T659 WeakPolarHBondContact O-CG2 3.46Å; I655-T659 PolarHBondContact O-N 2.9Å; I655-T659 PolarHBondContact O-OG1 3.3Å
656	S	77.5	Confident	73.1	Confident	65 Å²	65	111.2 Å²	111.2	46%	0.455	58%	0.582	S	S	.	*	H	α-helix	trans	-72.6	-18	176.7	48.4	0	0	0	0	115.1	A652 Q653 R654 T659 S660	A652-S656 PolarHBondContact O-N 2.91Å; A652-S656 VanDerWaalsContact O-N 3.15Å; A652-S656 PolarHBondContact O-OG 3.43Å; Q653-S656 WeakPolarHBondContact CA-OG 3.25Å; Q653-S656 PolarHBondContact O-OG 2.88Å; R654-S656 PolarHBondContact O-N 3.02Å; S656-T659 WeakPolarHBondContact CA-OG1 3.48Å; S656-S660 PolarHBondContact O-OG 3.48Å
657	R	74.9	Confident	70.8	Confident	179 Å²	179	112.7 Å²	112.7	68%	0.675	60%	0.599	S	S	*	*	H	α-helix	trans	-85.8	-41.1	171.1	-72.8	176	-177.4	-166.2	3	112.1	Q653 R654 I655 T659 S660 S661	Q653-R657 WeakPolarHBondContact O-CD 3.46Å; Q653-R657 WeakPolarHBondContact O-CG 3.46Å; R654-R657 WeakPolarHBondContact O-CA 3.39Å; R654-R657 WeakPolarHBondContact O-CB 3.33Å; R654-R657 PolarHBondContact O-N 2.91Å; I655-R657 VanDerWaalsContact C-N 3.34Å; I655-R657 PolarHBondContact O-N 3.25Å; R657-T659 VanDerWaalsContact C-N 3.35Å; R657-S660 WeakPolarHBondContact CA-OG 3.39Å; R657-S660 PolarHBondContact O-N 3.18Å; R657-S660 VanDerWaalsContact O-N 3.16Å; R657-S660 PolarHBondContact O-OG 2.88Å; R657-S660 VanDerWaalsContact O-OG 3.09Å; R657-S661 PolarHBondContact O-N 2.81Å; R657-S661 VanDerWaalsContact O-N 3.12Å; R657-S661 PolarHBondContact O-OG 3.21Å
658	E	72.1	Confident	68.4	Low	116 Å²	116	113 Å²	113	54%	0.542	61%	0.608	S	S	.	*	H	α-helix	trans	-64.5	-40.1	177.5	-72.9	143.7	-160.7	0	0	111.4	R654 S660 S661	R654-E658 PolarHBondContact O-N 2.68Å; E658-S660 VanDerWaalsContact C-N 3.27Å; E658-S660 PolarHBondContact O-N 2.87Å; E658-S661 PolarHBondContact O-OG 3.13Å
659	T	69.8	Low	66.1	Low	91 Å²	91	112.3 Å²	112.3	56%	0.558	62%	0.619	S	S	*	*	H	α-helix	trans	-73.4	-9.3	173.7	49.3	0	0	0	0	115.2	I655 S656 R657	I655-T659 WeakPolarHBondContact O-CB 3.3Å; I655-T659 WeakPolarHBondContact O-CG2 3.46Å; I655-T659 PolarHBondContact O-N 2.9Å; I655-T659 PolarHBondContact O-OG1 3.3Å; S656-T659 WeakPolarHBondContact CA-OG1 3.48Å; R657-T659 VanDerWaalsContact C-N 3.35Å
660	S	63.4	Low	63.8	Low	80 Å²	80	118.8 Å²	118.8	56%	0.559	64%	0.639	S	S	*	*	H	α-helix	trans	-104.2	-15.4	175.1	47.2	0	0	0	0	114.2	S656 R657 E658	S656-S660 PolarHBondContact O-OG 3.48Å; R657-S660 WeakPolarHBondContact CA-OG 3.39Å; R657-S660 PolarHBondContact O-N 3.18Å; R657-S660 VanDerWaalsContact O-N 3.16Å; R657-S660 PolarHBondContact O-OG 2.88Å; R657-S660 VanDerWaalsContact O-OG 3.09Å; E658-S660 VanDerWaalsContact C-N 3.27Å; E658-S660 PolarHBondContact O-N 2.87Å
661	S	61.4	Low	61.5	Low	99 Å²	99	123.7 Å²	123.7	69%	0.692	66%	0.661	S	S	*	*	H	α-helix	trans	-86	-18.2	176.1	61.2	0	0	0	0	114.7	R657 E658 K663	R657-S661 PolarHBondContact O-N 2.81Å; R657-S661 VanDerWaalsContact O-N 3.12Å; R657-S661 PolarHBondContact O-OG 3.21Å; E658-S661 PolarHBondContact O-OG 3.13Å; S661-K663 VanDerWaalsContact C-N 3.32Å; S661-K663 PolarHBondContact O-N 3.17Å
662	S	55.8	Low	59	Low	75 Å²	75	123.7 Å²	123.7	52%	0.524	67%	0.673	S	S	.	*			trans	-82	3.3	-173	58.6	0	0	0	0	115.9	F664	S662-F664 PolarHBondContact O-N 2.75Å; S662-F664 VanDerWaalsContact O-N 3.12Å
663	K	48.9	Very low	56.8	Low	184 Å²	184	128.8 Å²	128.8	80%	0.8	69%	0.691	S	S	*	*			trans	-82.1	88.7	178.6	-71.1	-169.7	176.9	-175.8	0	112	S661	S661-K663 VanDerWaalsContact C-N 3.32Å; S661-K663 PolarHBondContact O-N 3.17Å
664	F	47.2	Very low	54.7	Low	192 Å²	192	127.6 Å²	127.6	84%	0.842	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-56.4	142.9	167.3	-72.9	-89.9	0	0	0	111.8	S662	S662-F664 PolarHBondContact O-N 2.75Å; S662-F664 VanDerWaalsContact O-N 3.12Å
665	P	44.6	Very low	52.6	Low	119 Å²	119	127.2 Å²	127.2	77%	0.773	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-72	128.3	175.9	29.7	-33.6	0	0	0	111
666	A	43.5	Very low	50.8	Low	92 Å²	92	126.8 Å²	126.8	76%	0.76	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-77.1	125.2	-178.2	0	0	0	0	0	112.2
667	V	41.9	Very low	49.2	Very low	147 Å²	147	131 Å²	131	89%	0.891	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-78.9	122.3	166.1	178.1	0	0	0	0	108.3
668	T	40.7	Very low	47.7	Very low	121 Å²	121	127.3 Å²	127.3	74%	0.742	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-96.2	129.8	-179.7	42.5	0	0	0	0	111.7
669	S	40.7	Very low	46.4	Very low	121 Å²	121	128.2 Å²	128.2	85%	0.846	75%	0.752	S	S	*	*			trans	-118.7	124.9	159.8	52.5	0	0	0	0	108.5
670	R	41	Very low	45.1	Very low	231 Å²	231	128.2 Å²	128.2	87%	0.872	76%	0.755	S	S	*	*			trans	-92.4	148.9	-179.3	-54.1	173.4	-172.2	162.9	1.3	110
671	I	40.7	Very low	44.1	Very low	176 Å²	176	132.2 Å²	132.2	90%	0.903	77%	0.77	S	S	*	*			trans	-157.6	148.1	133.5	-98.5	145.6	0	0	0	107.5
672	S	36.6	Very low	42.9	Very low	97 Å²	97	130.9 Å²	130.9	68%	0.678	77%	0.773	S	S	*	*			trans	-134.9	161	-175.7	52.1	0	0	0	0	108.7
673	I	41.7	Very low	42.3	Very low	162 Å²	162	133.2 Å²	133.2	83%	0.831	79%	0.786	S	S	*	*			trans	174	138.5	141.9	-95.4	152	0	0	0	111.3
674	A	40.6	Very low	41.8	Very low	81 Å²	81	130.4 Å²	130.4	67%	0.669	79%	0.789	S	S	*	*			trans	59.1	152.7	155.3	0	0	0	0	0	121.8
675	D	41.5	Very low	41.3	Very low	153 Å²	153	131.4 Å²	131.4	82%	0.818	79%	0.787	S	S	*	*			cis	-169.9	173.8	-35.5	-117.9	-53.5	0	0	0	110.6
676	A	42.6	Very low	41	Very low	81 Å²	81	132.9 Å²	132.9	67%	0.669	79%	0.789	S	S	*	*			trans	70.4	149.3	158.7	0	0	0	0	0	119.8
677	N	43	Very low	40.6	Very low	154 Å²	154	135.5 Å²	135.5	82%	0.824	79%	0.785	S	S	*	*			cis	-168.4	178.8	-31	-118.8	-40.3	0	0	0	110.8
678	S	44	Very low	40.4	Very low	102 Å²	102	134.4 Å²	134.4	71%	0.713	77%	0.774	S	S	*	*			trans	81.6	110.3	167.6	-143.8	0	0	0	0	116
679	V	44.6	Very low	40.2	Very low	135 Å²	135	138 Å²	138	82%	0.818	78%	0.775	S	S	*	*				80.2	128.3	59.4	171.7	0	0	0	0	111.2
680	S	43.5	Very low	39.9	Very low	90 Å²	90	136.6 Å²	136.6	63%	0.629	77%	0.765	S	S	*	*			cis	-162.7	165.5	7.8	48.2	0	0	0	0	114.2
681	N	40.8	Very low	39.7	Very low	164 Å²	164	131.5 Å²	131.5	88%	0.877	76%	0.76	S	S	*	*			trans	30.5	147.2	138.9	-50	-15.7	0	0	0	121.4
682	G	36	Very low	39.5	Very low	72 Å²	72	128.1 Å²	128.1	74%	0.742	75%	0.752	S	S	*	*			cis	168.1	161.6	1.4	0	0	0	0	0	110.7
683	P	44	Very low	39.6	Very low	124 Å²	124	128.6 Å²	128.6	81%	0.805	76%	0.755	S	S	*	*			trans	-107.2	148.5	-164.6	37.8	-33.4	0	0	0	116.7
684	S	39.3	Very low	39.4	Very low	124 Å²	124	131.8 Å²	131.8	87%	0.867	76%	0.757	S	S	*	*			trans	-164.7	115.1	157.1	-87.8	0	0	0	0	117.2
685	R	35.4	Very low	39.3	Very low	214 Å²	214	133.5 Å²	133.5	81%	0.808	76%	0.764	S	S	*	*			trans	4	125.7	137.1	176.9	-171.7	-178.5	168.2	2.8	119.4
686	N	38.2	Very low	39.1	Very low	149 Å²	149	129.7 Å²	129.7	80%	0.797	76%	0.761	S	S	*	*				-167.3	-173.4	122.6	-106.8	-21.3	0	0	0	114.2
687	Q	35.9	Very low	38.9	Very low	147 Å²	147	132 Å²	132	69%	0.687	77%	0.772	S	S	*	*			trans	-120.7	174.7	-155.1	-53.6	174.3	-18.1	0	0	115.5
688	L	37.3	Very low	38.5	Very low	124 Å²	124	131 Å²	131	65%	0.649	77%	0.771	S	S	*	*			trans	110.6	153.2	143.3	-67.4	147.9	0	0	0	121.1
689	Y	37.7	Very low	38.2	Very low	197 Å²	197	134.7 Å²	134.7	77%	0.773	77%	0.774	S	S	*	*			trans	71.6	84.4	159.3	-58.1	-57.2	0	0	0	123.4
690	S	33.8	Very low	37.8	Very low	92 Å²	92	136.9 Å²	136.9	64%	0.643	78%	0.775	S	S	*	*				48.2	142.7	112	61.5	0	0	0	0	125.1
691	T	35.9	Very low	37.2	Very low	123 Å²	123	137.7 Å²	137.7	76%	0.755	78%	0.781	S	S	*	*			trans	81.7	102.3	142.4	40.4	0	0	0	0	123.6
692	S	36.7	Very low	37	Very low	105 Å²	105	137.8 Å²	137.8	73%	0.734	78%	0.78	S	S	*	*				109.1	130.3	109.7	76.9	0	0	0	0	123.4
693	S	38.7	Very low	37.1	Very low	107 Å²	107	139.8 Å²	139.8	75%	0.748	78%	0.78	S	S	*	*			trans	102.5	147.3	134.9	84.4	0	0	0	0	122.8
694	R	38.7	Very low	36.8	Very low	230 Å²	230	142.1 Å²	142.1	87%	0.868	79%	0.786	S	S	*	*			trans	74.5	88.2	154.8	-77.8	-179.3	154.6	174.6	-6.6	123.4
695	S	37.5	Very low	36.4	Very low	116 Å²	116	145 Å²	145	81%	0.811	78%	0.783	S	S	*	*				33.5	135.5	112.7	63.7	0	0	0	0	123.1
696	G	37.4	Very low	36.3	Very low	73 Å²	73	142.8 Å²	142.8	75%	0.753	79%	0.786	S	S	*	*			trans	178.6	110.1	155.2	0	0	0	0	0	119.8
697	S	38.2	Very low	36	Very low	129 Å²	129	141 Å²	141	90%	0.902	78%	0.781	S	S	*	*			trans	73.2	169.8	147.8	-66.7	0	0	0	0	122.7
698	V	35	Very low	35.9	Very low	134 Å²	134	138.4 Å²	138.4	81%	0.812	78%	0.778	S	S	*	*			trans	-150.1	167.7	-150.8	-179.9	0	0	0	0	111.1
699	K	37.9	Very low	35.8	Very low	180 Å²	180	139.9 Å²	139.9	78%	0.783	79%	0.787	S	S	*	*			trans	105.1	151.8	168.6	-59.7	171	-176.6	178.6	0	113.6
700	Q	37.1	Very low	35.5	Very low	180 Å²	180	133.9 Å²	133.9	84%	0.841	79%	0.785	S	S	*	*			cis	-151.2	-179.5	3.6	-135.9	154.9	-28.6	0	0	111.7
701	S	30.9	Very low	35.5	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	80%	0.796	S	S	*	*			trans	-133.6	140.9	-171.5	51.7	0	0	0	0	114.7
702	I	36.3	Very low	35.4	Very low	165 Å²	165	142.3 Å²	142.3	85%	0.846	79%	0.794	S	S	*	*			trans	-149.5	131.9	164.4	-52.4	-179.9	0	0	0	110.3
703	P	36.6	Very low	35.1	Very low	115 Å²	115	143.6 Å²	143.6	75%	0.747	79%	0.793	S	S	*	*			trans	-111.2	164.4	165.7	39.2	-30.7	0	0	0	112.8
704	N	37.4	Very low	34.9	Very low	172 Å²	172	143.9 Å²	143.9	92%	0.92	80%	0.795	S	S	*	*			trans	-160.3	165.6	155.5	-117.6	-25.1	0	0	0	113.4
705	K	32	Very low	34.5	Very low	186 Å²	186	137.6 Å²	137.6	81%	0.809	79%	0.786	S	S	*	*			trans	-148.3	135.9	-169.5	-177.3	-170.1	-177.6	-170.5	0	110.9
706	L	33.5	Very low	34.3	Very low	167 Å²	167	140.4 Å²	140.4	87%	0.874	78%	0.784	S	S	*	*			trans	-156	173.4	173.7	-108.1	149	0	0	0	111.4
707	T	32.6	Very low	34.2	Very low	111 Å²	111	143.4 Å²	143.4	68%	0.681	78%	0.783	S	S	*	*			trans	-146.2	158.7	-154.1	50.9	0	0	0	0	115.9
708	S	32.6	Very low	33.7	Very low	92 Å²	92	144.2 Å²	144.2	64%	0.643	78%	0.775	S	S	*	*			trans	75.8	152.9	150.4	76.2	0	0	0	0	121.9
709	D	35	Very low	33.5	Very low	156 Å²	156	142.8 Å²	142.8	83%	0.834	77%	0.766	S	S	*	*			trans	67.4	140.7	159.5	-42.7	-50.9	0	0	0	119.7
710	G	31.4	Very low	33.3	Very low	70 Å²	70	143.4 Å²	143.4	72%	0.722	77%	0.772	S	S	*	*			cis	141.5	90.1	-18.7	0	0	0	0	0	116.3
711	F	33.7	Very low	32.8	Very low	198 Å²	198	142.1 Å²	142.1	87%	0.868	77%	0.77	S	S	*	*			trans	-175.1	-176.8	161.6	-128.1	-106.1	0	0	0	110.9
712	R	33.5	Very low	32.9	Very low	194 Å²	194	149 Å²	149	73%	0.732	78%	0.779	S	S	*	*				-162.9	125.4	-87.6	-173.9	-179.3	-177.3	-178.5	5.2	112.7
713	D	31.4	Very low	32.6	Very low	132 Å²	132	149.4 Å²	149.4	71%	0.706	78%	0.777	S	S	*	*			trans	59.4	157.5	155.5	-70.5	-50.1	0	0	0	124.6
714	S	34.2	Very low	32.6	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	77%	0.773	S	S	*	*			trans	83.9	152.7	158.9	74.9	0	0	0	0	121.3
715	S	30.6	Very low	32.2	Very low	98 Å²	98	148.5 Å²	148.5	69%	0.685	77%	0.767	S	S	*	*				-173.4	175.4	-54.5	46.8	0	0	0	0	112.7
716	F	33.8	Very low	32.1	Very low	175 Å²	175	146.8 Å²	146.8	77%	0.768	76%	0.764	S	S	*	*			trans	85	118.4	163.6	-83.9	-96.3	0	0	0	123.6
717	N	34.6	Very low	31.8	Very low	136 Å²	136	144.2 Å²	144.2	73%	0.727	76%	0.761	S	S	*	*			trans	50.4	163.6	134.3	-67.5	13.5	0	0	0	124.5
718	M	27.4	Very low	31.8	Very low	147 Å²	147	145.5 Å²	145.5	72%	0.724	77%	0.769	S	S	*	*			cis	-172.1	144.8	-40.6	-163.5	179.4	82	0	0	110.3
719	T	30	Very low	31.7	Very low	104 Å²	104	146.1 Å²	146.1	64%	0.638	76%	0.764	S	S	*	*			trans	56.4	118.9	161.3	39.2	0	0	0	0	121.4
720	Q	34.2	Very low	31.9	Very low	193 Å²	193	144 Å²	144	90%	0.902	76%	0.76	S	S	*	*				-168.9	163.2	101.2	-98.4	-172.5	41.3	0	0	111.2
721	L	27.9	Very low	32.5	Very low	152 Å²	152	145.5 Å²	145.5	80%	0.796	76%	0.755	S	S	*	*			trans	-104.2	145.5	-169.3	-64.7	88	0	0	0	114.2
722	R	32.1	Very low	33.1	Very low	252 Å²	252	141 Å²	141	95%	0.951	74%	0.739	S	S	*	*			trans	-160.5	152.2	142.7	-105.1	166.6	-161.5	-149.4	3.4	110.7
723	H	30.8	Very low	33.4	Very low	174 Å²	174	135.5 Å²	135.5	81%	0.806	73%	0.731	S	S	*	*			trans	-91.8	-178.4	-175.7	-57.9	-89.4	0	0	0	112.4
724	P	34.8	Very low	34	Very low	101 Å²	101	133 Å²	133	66%	0.656	72%	0.72	S	S	*	*				-136.9	143.3	-70.6	39	-23.2	0	0	0	113.5
725	Q	30.6	Very low	34.9	Very low	168 Å²	168	131 Å²	131	79%	0.785	70%	0.703	S	S	*	*			trans	-153.6	141.2	159.7	-80.9	-54.2	-72.1	0	0	112.5
726	I	28.2	Very low	36.3	Very low	149 Å²	149	130.2 Å²	130.2	76%	0.764	69%	0.692	S	S	*	*			trans	29.2	109	149.9	-48.5	169.4	0	0	0	118.6
727	S	28.9	Very low	37.3	Very low	114 Å²	114	123.9 Å²	123.9	80%	0.797	67%	0.666	S	S	*	*			trans	-155.3	141.8	134.2	-171.2	0	0	0	0	109.5
728	T	31.8	Very low	38.2	Very low	138 Å²	138	123.9 Å²	123.9	85%	0.847	66%	0.659	S	S	*	*			trans	-112.2	99.5	178.7	54.7	0	0	0	0	110.8
729	D	31.3	Very low	40	Very low	104 Å²	104	120.6 Å²	120.6	56%	0.556	65%	0.645	S	S	*	*			trans	-105.1	126.8	177	-159.8	-50.6	0	0	0	109.6	T731	D729-T731 PolarHBondContact O-N 2.8Å; D729-T731 PolarHBondContact OD1-N 3.4Å; D729-T731 PolarHBondContact OD1-OG1 2.82Å
730	P	38.4	Very low	41.4	Very low	113 Å²	113	118.7 Å²	118.7	73%	0.734	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-17.6	-173.3	-25.2	35	0	0	0	115.4	S733	P730-S733 PolarHBondContact O-OG 2.96Å
731	T	44.9	Very low	42.6	Very low	100 Å²	100	113.4 Å²	113.4	61%	0.613	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-27.2	-169.2	52.1	0	0	0	0	114.6	D729 S733	D729-T731 PolarHBondContact O-N 2.8Å; D729-T731 PolarHBondContact OD1-N 3.4Å; D729-T731 PolarHBondContact OD1-OG1 2.82Å; T731-S733 VanDerWaalsContact C-N 3.27Å; T731-S733 PolarHBondContact O-N 2.9Å
732	D	45.1	Very low	44.2	Very low	103 Å²	103	114.1 Å²	114.1	55%	0.551	60%	0.598	S	S	*	*	H	α-helix	trans	-77.6	-7.7	-173.5	-165.5	35.6	0	0	0	114.7	T734 T735 N736	D732-T734 VanDerWaalsContact C-N 3.26Å; D732-T734 PolarHBondContact O-N 2.91Å; D732-T735 VanDerWaalsContact CA-OG1 3.31Å; D732-T735 WeakPolarHBondContact CA-OG1 3.41Å; D732-T735 PolarHBondContact O-N 2.85Å; D732-T735 PolarHBondContact O-OG1 3.05Å; D732-T735 WeakPolarHBondContact OD1-CB 3.47Å; D732-T735 PolarHBondContact OD1-OG1 3.3Å; D732-N736 WeakPolarHBondContact O-CB 3.13Å; D732-N736 PolarHBondContact O-N 3.33Å; D732-N736 VanDerWaalsContact O-N 3.14Å
733	S	40.9	Very low	45.7	Very low	80 Å²	80	107.5 Å²	107.5	56%	0.559	58%	0.581	S	S	*	*	H	α-helix	trans	-58.7	-36.8	173.9	56	0	0	0	0	112.8	P730 T731 L737	P730-S733 PolarHBondContact O-OG 2.96Å; T731-S733 VanDerWaalsContact C-N 3.27Å; T731-S733 PolarHBondContact O-N 2.9Å; S733-L737 WeakPolarHBondContact O-CB 3.45Å; S733-L737 PolarHBondContact O-N 3.37Å
734	T	43.9	Very low	46.9	Very low	78 Å²	78	100.4 Å²	100.4	48%	0.479	55%	0.549	S	S	.	.	H	α-helix	trans	-80.2	-32.9	-174.6	-45.7	0	0	0	0	112.2	D732 K738	D732-T734 VanDerWaalsContact C-N 3.26Å; D732-T734 PolarHBondContact O-N 2.91Å; T734-K738 WeakPolarHBondContact O-CB 3.44Å; T734-K738 WeakPolarHBondContact O-CG 3.48Å; T734-K738 PolarHBondContact O-N 2.98Å
735	T	51.6	Low	47.9	Very low	71 Å²	71	98.7 Å²	98.7	44%	0.436	53%	0.534	S	S	.	.	H	α-helix	trans	-67.4	-45.5	173.1	13.9	0	0	0	0	110.8	D732 K738 N739	D732-T735 VanDerWaalsContact CA-OG1 3.31Å; D732-T735 WeakPolarHBondContact CA-OG1 3.41Å; D732-T735 PolarHBondContact O-N 2.85Å; D732-T735 PolarHBondContact O-OG1 3.05Å; D732-T735 WeakPolarHBondContact OD1-CB 3.47Å; D732-T735 PolarHBondContact OD1-OG1 3.3Å; T735-K738 PolarHBondContact O-N 3.38Å; T735-N739 PolarHBondContact O-N 2.82Å; T735-N739 VanDerWaalsContact O-N 3.09Å
736	N	60.7	Low	49.4	Very low	82 Å²	82	93.5 Å²	93.5	44%	0.439	52%	0.52	S	S	.	.	H	α-helix	trans	-60.1	-47.9	174.5	-158.8	-36.2	0	0	0	111.1	D732 K738 N739 Q740	D732-N736 WeakPolarHBondContact O-CB 3.13Å; D732-N736 PolarHBondContact O-N 3.33Å; D732-N736 VanDerWaalsContact O-N 3.14Å; N736-K738 PolarHBondContact O-N 3.21Å; N736-N739 PolarHBondContact O-N 2.85Å; N736-Q740 WeakPolarHBondContact O-CG 3.47Å; N736-Q740 PolarHBondContact O-N 2.88Å; N736-Q740 PolarHBondContact OD1-NE2 3.3Å
737	L	54.3	Low	50.8	Low	42 Å²	42	89.3 Å²	89.3	22%	0.22	50%	0.499	C	S	.	.	H	α-helix	trans	-57.2	-43.8	175.7	-176.7	66.2	0	0	0	112.9	S733 N739 L741 L770	S733-L737 WeakPolarHBondContact O-CB 3.45Å; S733-L737 PolarHBondContact O-N 3.37Å; L737-N739 VanDerWaalsContact C-N 3.33Å; L737-N739 PolarHBondContact O-N 2.97Å; L737-L741 HydrophobicContact CG-CD1 4.4Å; L737-L741 WeakPolarHBondContact O-CB 3.41Å; L737-L741 PolarHBondContact O-N 3.28Å; L737-L770 HydrophobicContact CD1-CD1 3.5Å; L737-L770 HydrophobicContact CD1-CG 3.71Å
738	K	54.4	Low	51.9	Low	137 Å²	137	86.6 Å²	86.6	60%	0.596	47%	0.473	S	S	*	.	H	α-helix	trans	-65.6	-33.3	177.8	-82	180	176.1	178.5	0	113.3	T734 T735 N736 R742	T734-K738 WeakPolarHBondContact O-CB 3.44Å; T734-K738 WeakPolarHBondContact O-CG 3.48Å; T734-K738 PolarHBondContact O-N 2.98Å; T735-K738 PolarHBondContact O-N 3.38Å; N736-K738 PolarHBondContact O-N 3.21Å; K738-R742 PolarHBondContact O-N 2.97Å
739	N	64.8	Low	52.8	Low	78 Å²	78	83.9 Å²	83.9	42%	0.417	47%	0.465	S	S	.	.	H	α-helix	trans	-76.7	-44.4	177	-68.8	-14.6	0	0	0	110.9	T735 N736 L737 L741 R742 D743	T735-N739 PolarHBondContact O-N 2.82Å; T735-N739 VanDerWaalsContact O-N 3.09Å; N736-N739 PolarHBondContact O-N 2.85Å; L737-N739 VanDerWaalsContact C-N 3.33Å; L737-N739 PolarHBondContact O-N 2.97Å; N739-L741 PolarHBondContact O-N 2.99Å; N739-R742 WeakPolarHBondContact O-CA 3.44Å; N739-R742 WeakPolarHBondContact O-CB 3.19Å; N739-R742 PolarHBondContact O-N 3.05Å; N739-D743 VanDerWaalsContact O-CG 3.27Å; N739-D743 PolarHBondContact O-N 3.14Å
740	Q	60.4	Low	54.1	Low	64 Å²	64	86.4 Å²	86.4	30%	0.299	48%	0.478	S	S	.	.	H	α-helix	trans	-53.3	-41.6	170.7	-69.7	178.6	14.3	0	0	111.9	N736 D743 L744 N767	N736-Q740 WeakPolarHBondContact O-CG 3.47Å; N736-Q740 PolarHBondContact O-N 2.88Å; N736-Q740 PolarHBondContact OD1-NE2 3.3Å; Q740-D743 PolarHBondContact O-N 2.97Å; Q740-L744 WeakPolarHBondContact O-CB 3.38Å; Q740-L744 WeakPolarHBondContact O-CD1 3.34Å; Q740-L744 WeakPolarHBondContact O-CG 3.24Å; Q740-L744 PolarHBondContact O-N 3.48Å; Q740-N767 PolarHBondContact OE1-ND2 3.27Å
741	L	58.2	Low	55.1	Low	81 Å²	81	83 Å²	83	42%	0.424	46%	0.457	S	S	.	.	H	α-helix	trans	-67.7	-35.1	174.2	-104.4	149.4	0	0	0	113.7	L737 N739 L745	L737-L741 HydrophobicContact CG-CD1 4.4Å; L737-L741 WeakPolarHBondContact O-CB 3.41Å; L737-L741 PolarHBondContact O-N 3.28Å; N739-L741 PolarHBondContact O-N 2.99Å; L741-L745 WeakPolarHBondContact O-CB 3.48Å; L741-L745 WeakPolarHBondContact O-CD1 3.32Å; L741-L745 WeakPolarHBondContact O-CG 3.16Å; L741-L745 PolarHBondContact O-N 2.78Å; L741-L745 VanDerWaalsContact O-N 3.08Å
742	R	61.8	Low	55.7	Low	168 Å²	168	79.6 Å²	79.6	63%	0.634	44%	0.442	S	S	*	.	H	α-helix	trans	-65	-44.8	172.5	-85.2	-170.9	174.6	119.6	-5.5	111.8	K738 N739 L745 A746	K738-R742 PolarHBondContact O-N 2.97Å; N739-R742 WeakPolarHBondContact O-CA 3.44Å; N739-R742 WeakPolarHBondContact O-CB 3.19Å; N739-R742 PolarHBondContact O-N 3.05Å; R742-L745 CarbonylContact O-C 3.52Å; R742-L745 PolarHBondContact O-N 3.34Å; R742-A746 PolarHBondContact O-N 2.9Å
743	D	63.1	Low	56.3	Low	112 Å²	112	79.7 Å²	79.7	60%	0.599	44%	0.441	S	S	*	.	H	α-helix	trans	-65.9	-42.4	-177.4	-57.9	-26.1	0	0	0	110.1	N739 Q740 L745 A746 D747	N739-D743 VanDerWaalsContact O-CG 3.27Å; N739-D743 PolarHBondContact O-N 3.14Å; Q740-D743 PolarHBondContact O-N 2.97Å; D743-L745 VanDerWaalsContact C-N 3.28Å; D743-L745 PolarHBondContact O-N 2.79Å; D743-A746 PolarHBondContact O-N 3.29Å; D743-D747 PolarHBondContact O-N 2.74Å
744	L	57.3	Low	57.1	Low	25 Å²	25	79.5 Å²	79.5	13%	0.131	43%	0.434	C	S	.	.	H	α-helix	trans	-59.9	-31.3	170	-78.1	164	0	0	0	114	Q740 F748 S759 A763	Q740-L744 WeakPolarHBondContact O-CB 3.38Å; Q740-L744 WeakPolarHBondContact O-CD1 3.34Å; Q740-L744 WeakPolarHBondContact O-CG 3.24Å; Q740-L744 PolarHBondContact O-N 3.48Å; L744-F748 PolarHBondContact O-N 3.39Å; L744-S759 WeakPolarHBondContact CD2-OG 2.91Å; L744-A763 HydrophobicContact CD1-CB 3.82Å; L744-A763 HydrophobicContact CD2-CB 4.14Å
745	L	55.9	Low	58	Low	65 Å²	65	83 Å²	83	34%	0.34	44%	0.438	S	S	.	.	H	α-helix	trans	-84	-24.6	177.7	-74.1	168.2	0	0	0	113.1	L741 R742 D743 F748 A749	L741-L745 WeakPolarHBondContact O-CB 3.48Å; L741-L745 WeakPolarHBondContact O-CD1 3.32Å; L741-L745 WeakPolarHBondContact O-CG 3.16Å; L741-L745 PolarHBondContact O-N 2.78Å; L741-L745 VanDerWaalsContact O-N 3.08Å; R742-L745 CarbonylContact O-C 3.52Å; R742-L745 PolarHBondContact O-N 3.34Å; D743-L745 VanDerWaalsContact C-N 3.28Å; D743-L745 PolarHBondContact O-N 2.79Å; L745-F748 WeakPolarHBondContact O-CB 3.37Å; L745-A749 PolarHBondContact O-N 3.43Å
746	A	62.1	Low	58.4	Low	59 Å²	59	81.1 Å²	81.1	49%	0.488	42%	0.424	S	S	.	.	H	α-helix	trans	-68.7	-45.9	167.7	0	0	0	0	0	110.3	R742 D743 F748 A749 D750	R742-A746 PolarHBondContact O-N 2.9Å; D743-A746 PolarHBondContact O-N 3.29Å; A746-F748 PolarHBondContact O-N 2.95Å; A746-A749 WeakPolarHBondContact O-CB 3.33Å; A746-A749 PolarHBondContact O-N 3.35Å; A746-D750 PolarHBondContact O-N 3.16Å
747	D	55.9	Low	58.2	Low	61 Å²	61	81.6 Å²	81.6	33%	0.326	42%	0.422	S	S	.	.	H	α-helix	trans	-57.9	-33.6	176.3	-140.5	29.6	0	0	0	112	D743 S751 S759	D743-D747 PolarHBondContact O-N 2.74Å; D747-S751 WeakPolarHBondContact O-CB 3.45Å; D747-S751 PolarHBondContact O-N 2.88Å; D747-S751 VanDerWaalsContact O-N 3.11Å; D747-S751 PolarHBondContact O-OG 2.74Å; D747-S759 PolarHBondContact OD2-OG 3.47Å
748	F	52.7	Low	58.7	Low	58 Å²	58	85.6 Å²	85.6	25%	0.254	44%	0.44	S	S	.	.	H	α-helix	trans	-63.8	-41	173.3	177.7	-112.6	0	0	0	113.5	L744 L745 A746 G752 I753 F756 L798	L744-F748 PolarHBondContact O-N 3.39Å; L745-F748 WeakPolarHBondContact O-CB 3.37Å; A746-F748 PolarHBondContact O-N 2.95Å; F748-G752 PolarHBondContact O-N 2.83Å; F748-I753 HydrophobicContact CE2-CG1 4.13Å; F748-F756 HydrophobicContact CB-CD2 3.63Å; F748-F756 HydrophobicContact CB-CE2 3.86Å; F748-F756 HydrophobicContact CB-CG 4.2Å; F748-F756 HydrophobicContact CD2-CB 3.74Å; F748-F756 AromaticContact CD2-CD1 3.61Å; F748-F756 HydrophobicContact CD2-CD1 3.61Å; F748-F756 AromaticContact CD2-CD2 3.76Å; F748-F756 HydrophobicContact CD2-CD2 3.76Å; F748-F756 HydrophobicContact CD2-CE1 4.02Å; F748-F756 HydrophobicContact CD2-CE2 4.15Å; F748-F756 AromaticContact CD2-CG 3.44Å; F748-F756 HydrophobicContact CD2-CG 3.44Å; F748-F756 VanDerWaalsContact CD2-CG 3.44Å; F748-F756 HydrophobicContact CD2-CZ 4.26Å; F748-F756 AromaticContact CE2-CD1 3.94Å; F748-F756 HydrophobicContact CE2-CD1 3.94Å; F748-F756 HydrophobicContact CE2-CE1 4.26Å; F748-F756 HydrophobicContact CE2-CG 4.22Å; F748-F756 HydrophobicContact CG-CD2 4.06Å; F748-F756 HydrophobicContact CG-CE2 4.22Å; F748-F756 HydrophobicContact CG-CG 4.22Å; F748-L798 HydrophobicContact CD1-CD2 4.46Å; F748-L798 HydrophobicContact CE1-CD2 3.78Å; F748-L798 HydrophobicContact CZ-CD2 4.43Å
749	A	51.8	Low	59.1	Low	80 Å²	80	80.4 Å²	80.4	66%	0.661	42%	0.421	S	S	*	.	H	α-helix	trans	-68.4	-43.7	-176.9	0	0	0	0	0	112	L745 A746	L745-A749 PolarHBondContact O-N 3.43Å; A746-A749 WeakPolarHBondContact O-CB 3.33Å; A746-A749 PolarHBondContact O-N 3.35Å
750	D	57.6	Low	58.9	Low	158 Å²	158	79.2 Å²	79.2	85%	0.845	41%	0.414	S	S	*	.	H	α-helix	trans	-86.1	-27.4	-175.2	-76	-13.6	0	0	0	113.9	A746	A746-D750 PolarHBondContact O-N 3.16Å
751	S	59.1	Low	59.2	Low	41 Å²	41	79.6 Å²	79.6	29%	0.287	42%	0.421	S	S	.	.	H	α-helix	trans	-119.9	-9.8	-170.3	80.4	0	0	0	0	116.5	D747 R755	D747-S751 WeakPolarHBondContact O-CB 3.45Å; D747-S751 PolarHBondContact O-N 2.88Å; D747-S751 VanDerWaalsContact O-N 3.11Å; D747-S751 PolarHBondContact O-OG 2.74Å; S751-R755 VanDerWaalsContact OG-CB 3.27Å; S751-R755 WeakPolarHBondContact OG-CB 3.42Å
752	G	58.4	Low	59.7	Low	29 Å²	29	81.1 Å²	81.1	30%	0.299	43%	0.426	S	S	.	.	H	α-helix	trans	76.1	-178.6	166.9	0	0	0	0	0	116.9	F748 D754 R755 F756	F748-G752 PolarHBondContact O-N 2.83Å; G752-D754 VanDerWaalsContact C-N 3.3Å; G752-D754 PolarHBondContact O-N 3.2Å; G752-D754 VanDerWaalsContact O-N 3.1Å; G752-R755 PolarHBondContact O-N 3.13Å; G752-F756 PolarHBondContact O-N 3.5Å
753	I	58.5	Low	59.7	Low	105 Å²	105	74 Å²	74	54%	0.538	40%	0.403	S	S	.	.	H	α-helix	trans	-61.5	-27.2	-158.7	-113.2	176.2	0	0	0	116	F748 K757	F748-I753 HydrophobicContact CE2-CG1 4.13Å; I753-K757 WeakPolarHBondContact O-CE 3.22Å; I753-K757 WeakPolarHBondContact O-CG 3.23Å
754	D	57.4	Low	59.6	Low	75 Å²	75	71.7 Å²	71.7	40%	0.401	39%	0.39	S	S	.	.	H	α-helix	trans	-89.6	-38	-175.5	-67.8	-41	0	0	0	111.7	K651 G752 K757	K651-D754 IonicContact NZ-OD1 3.56Å; K651-D754 IonicContact NZ-OD2 3.59Å; K651-D754 PolarHBondContact NZ-OD2 2.94Å; G752-D754 VanDerWaalsContact C-N 3.3Å; G752-D754 PolarHBondContact O-N 3.2Å; G752-D754 VanDerWaalsContact O-N 3.1Å; D754-K757 PolarHBondContact O-N 3.13Å; D754-K757 IonicContact OD1-NZ 3.61Å; D754-K757 PolarHBondContact OD1-NZ 3.36Å
755	R	61.8	Low	60.1	Low	151 Å²	151	77.2 Å²	77.2	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-64.8	-38	167.4	-96.9	-139.4	-172.7	166.5	0.1	112.7	S751 G752 K757 E758 S759	S751-R755 VanDerWaalsContact OG-CB 3.27Å; S751-R755 WeakPolarHBondContact OG-CB 3.42Å; G752-R755 PolarHBondContact O-N 3.13Å; R755-K757 PolarHBondContact O-N 3.35Å; R755-E758 CarbonylContact O-C 3.53Å; R755-E758 WeakPolarHBondContact O-CA 3.1Å; R755-E758 WeakPolarHBondContact O-CB 3.31Å; R755-E758 PolarHBondContact O-N 2.88Å; R755-S759 PolarHBondContact O-N 2.92Å
756	F	59.8	Low	60.8	Low	32 Å²	32	78.2 Å²	78.2	14%	0.14	43%	0.431	C	S	.	.	H	α-helix	trans	-58.6	-33	178.6	-179.3	-120	0	0	0	113.3	F748 G752 I760	F748-F756 HydrophobicContact CB-CD2 3.63Å; F748-F756 HydrophobicContact CB-CE2 3.86Å; F748-F756 HydrophobicContact CB-CG 4.2Å; F748-F756 HydrophobicContact CD2-CB 3.74Å; F748-F756 AromaticContact CD2-CD1 3.61Å; F748-F756 HydrophobicContact CD2-CD1 3.61Å; F748-F756 AromaticContact CD2-CD2 3.76Å; F748-F756 HydrophobicContact CD2-CD2 3.76Å; F748-F756 HydrophobicContact CD2-CE1 4.02Å; F748-F756 HydrophobicContact CD2-CE2 4.15Å; F748-F756 AromaticContact CD2-CG 3.44Å; F748-F756 HydrophobicContact CD2-CG 3.44Å; F748-F756 VanDerWaalsContact CD2-CG 3.44Å; F748-F756 HydrophobicContact CD2-CZ 4.26Å; F748-F756 AromaticContact CE2-CD1 3.94Å; F748-F756 HydrophobicContact CE2-CD1 3.94Å; F748-F756 HydrophobicContact CE2-CE1 4.26Å; F748-F756 HydrophobicContact CE2-CG 4.22Å; F748-F756 HydrophobicContact CG-CD2 4.06Å; F748-F756 HydrophobicContact CG-CE2 4.22Å; F748-F756 HydrophobicContact CG-CG 4.22Å; G752-F756 PolarHBondContact O-N 3.5Å; F756-I760 HydrophobicContact CD1-CD1 4.02Å; F756-I760 HydrophobicContact CD2-CD1 4.32Å; F756-I760 HydrophobicContact CD2-CG1 4.47Å; F756-I760 HydrophobicContact CE1-CD1 3.52Å; F756-I760 HydrophobicContact CE2-CD1 3.86Å; F756-I760 HydrophobicContact CE2-CG1 4.2Å; F756-I760 HydrophobicContact CG-CD1 4.42Å; F756-I760 HydrophobicContact CZ-CD1 3.45Å; F756-I760 VanDerWaalsContact CZ-CD1 3.45Å; F756-I760 HydrophobicContact CZ-CG1 4.29Å; F756-I760 WeakPolarHBondContact O-CB 3.24Å; F756-I760 WeakPolarHBondContact O-CG1 3.28Å; F756-I760 PolarHBondContact O-N 3.13Å
757	K	57.3	Low	60.8	Low	92 Å²	92	77.3 Å²	77.3	40%	0.4	42%	0.418	S	S	.	.	H	α-helix	trans	-67.4	-40.9	172.9	-66	163.5	-168.1	161.9	0	111.7	I753 D754 R755 T761	I753-K757 WeakPolarHBondContact O-CE 3.22Å; I753-K757 WeakPolarHBondContact O-CG 3.23Å; D754-K757 PolarHBondContact O-N 3.13Å; D754-K757 IonicContact OD1-NZ 3.61Å; D754-K757 PolarHBondContact OD1-NZ 3.36Å; R755-K757 PolarHBondContact O-N 3.35Å; K757-T761 VanDerWaalsContact O-CB 3.26Å; K757-T761 WeakPolarHBondContact O-CB 3.46Å; K757-T761 PolarHBondContact O-N 2.74Å; K757-T761 PolarHBondContact O-OG1 2.93Å
758	E	64.8	Low	61	Low	127 Å²	127	78.6 Å²	78.6	59%	0.593	43%	0.43	S	S	*	.	H	α-helix	trans	-64.1	-48.4	175	-61.4	178	147.2	0	0	109.9	R755 I760 T761 E762	R755-E758 CarbonylContact O-C 3.53Å; R755-E758 WeakPolarHBondContact O-CA 3.1Å; R755-E758 WeakPolarHBondContact O-CB 3.31Å; R755-E758 PolarHBondContact O-N 2.88Å; E758-I760 PolarHBondContact O-N 3.45Å; E758-T761 CarbonylContact O-C 3.55Å; E758-T761 WeakPolarHBondContact O-CA 3.36Å; E758-T761 WeakPolarHBondContact O-CB 3.32Å; E758-T761 PolarHBondContact O-N 3.34Å; E758-E762 WeakPolarHBondContact O-CG 3.32Å; E758-E762 PolarHBondContact O-N 2.9Å
759	S	62.6	Low	61.3	Low	27 Å²	27	81.2 Å²	81.2	19%	0.189	45%	0.446	C	S	.	.	H	α-helix	trans	-61.9	-42.1	179.6	-149.5	0	0	0	0	112.5	L744 D747 R755 T761 E762 A763	L744-S759 WeakPolarHBondContact CD2-OG 2.91Å; D747-S759 PolarHBondContact OD2-OG 3.47Å; R755-S759 PolarHBondContact O-N 2.92Å; S759-T761 PolarHBondContact O-N 2.83Å; S759-E762 PolarHBondContact O-N 3.04Å; S759-A763 WeakPolarHBondContact O-CB 3.16Å; S759-A763 PolarHBondContact O-N 3.34Å
760	I	61.6	Low	61.6	Low	54 Å²	54	78.1 Å²	78.1	28%	0.277	42%	0.418	S	S	.	.	H	α-helix	trans	-62.5	-41	169.4	-78.4	176.4	0	0	0	111.9	F756 E758 A763 L764	F756-I760 HydrophobicContact CD1-CD1 4.02Å; F756-I760 HydrophobicContact CD2-CD1 4.32Å; F756-I760 HydrophobicContact CD2-CG1 4.47Å; F756-I760 HydrophobicContact CE1-CD1 3.52Å; F756-I760 HydrophobicContact CE2-CD1 3.86Å; F756-I760 HydrophobicContact CE2-CG1 4.2Å; F756-I760 HydrophobicContact CG-CD1 4.42Å; F756-I760 HydrophobicContact CZ-CD1 3.45Å; F756-I760 VanDerWaalsContact CZ-CD1 3.45Å; F756-I760 HydrophobicContact CZ-CG1 4.29Å; F756-I760 WeakPolarHBondContact O-CB 3.24Å; F756-I760 WeakPolarHBondContact O-CG1 3.28Å; F756-I760 PolarHBondContact O-N 3.13Å; E758-I760 PolarHBondContact O-N 3.45Å; I760-A763 PolarHBondContact O-N 3.15Å; I760-L764 HydrophobicContact CG2-CD1 3.74Å; I760-L764 HydrophobicContact CG2-CG 4.38Å; I760-L764 WeakPolarHBondContact O-CB 3.31Å; I760-L764 WeakPolarHBondContact O-CG 3.36Å; I760-L764 PolarHBondContact O-N 3.03Å
761	T	66	Low	61.4	Low	72 Å²	72	74.6 Å²	74.6	44%	0.442	40%	0.399	S	S	.	.	H	α-helix	trans	-68.6	-36.6	-179.8	-58.4	0	0	0	0	111.4	K757 E758 S759 K765	K757-T761 VanDerWaalsContact O-CB 3.26Å; K757-T761 WeakPolarHBondContact O-CB 3.46Å; K757-T761 PolarHBondContact O-N 2.74Å; K757-T761 PolarHBondContact O-OG1 2.93Å; E758-T761 CarbonylContact O-C 3.55Å; E758-T761 WeakPolarHBondContact O-CA 3.36Å; E758-T761 WeakPolarHBondContact O-CB 3.32Å; E758-T761 PolarHBondContact O-N 3.34Å; S759-T761 PolarHBondContact O-N 2.83Å; T761-K765 VanDerWaalsContact O-CG 3.22Å; T761-K765 WeakPolarHBondContact O-CG 3.29Å; T761-K765 PolarHBondContact O-N 2.98Å
762	E	68.4	Low	61.3	Low	112 Å²	112	78 Å²	78	52%	0.523	41%	0.409	S	S	.	.	H	α-helix	trans	-65.4	-48.8	171.3	-70	-71	98.1	0	0	111	E758 S759 L764 K765 A766	E758-E762 WeakPolarHBondContact O-CG 3.32Å; E758-E762 PolarHBondContact O-N 2.9Å; S759-E762 PolarHBondContact O-N 3.04Å; E762-L764 PolarHBondContact O-N 3.12Å; E762-K765 WeakPolarHBondContact O-CB 3.34Å; E762-K765 PolarHBondContact O-N 2.84Å; E762-K765 VanDerWaalsContact O-N 3.14Å; E762-K765 IonicContact OE1-NZ 2.66Å; E762-K765 PolarHBondContact OE1-NZ 2.96Å; E762-A766 VanDerWaalsContact O-CB 3.31Å; E762-A766 WeakPolarHBondContact O-CB 3.18Å; E762-A766 PolarHBondContact O-N 3.42Å
763	A	61.7	Low	61.4	Low	19 Å²	19	77.5 Å²	77.5	16%	0.157	40%	0.404	C	S	.	.	H	α-helix	trans	-60.7	-41.4	179	0	0	0	0	0	113	L744 S759 I760 K765 A766 N767	L744-A763 HydrophobicContact CD1-CB 3.82Å; L744-A763 HydrophobicContact CD2-CB 4.14Å; S759-A763 WeakPolarHBondContact O-CB 3.16Å; S759-A763 PolarHBondContact O-N 3.34Å; I760-A763 PolarHBondContact O-N 3.15Å; A763-K765 VanDerWaalsContact C-N 3.35Å; A763-A766 PolarHBondContact O-N 3.35Å; A763-N767 PolarHBondContact O-N 2.76Å
764	L	62	Low	61.1	Low	64 Å²	64	75.7 Å²	75.7	34%	0.335	39%	0.394	S	S	.	.	H	α-helix	trans	-69.9	-27.5	176.4	-72.3	171.4	0	0	0	113.3	I760 E762 L770 L771	I760-L764 HydrophobicContact CG2-CD1 3.74Å; I760-L764 HydrophobicContact CG2-CG 4.38Å; I760-L764 WeakPolarHBondContact O-CB 3.31Å; I760-L764 WeakPolarHBondContact O-CG 3.36Å; I760-L764 PolarHBondContact O-N 3.03Å; E762-L764 PolarHBondContact O-N 3.12Å; L764-L770 HydrophobicContact CD2-CD2 3.71Å; L764-L770 HydrophobicContact CG-CD2 4.47Å; L764-L771 HydrophobicContact CD2-CB 4.11Å; L764-L771 HydrophobicContact CD2-CD1 4.33Å
765	K	67.8	Low	60.9	Low	140 Å²	140	77.4 Å²	77.4	61%	0.609	40%	0.4	S	S	*	.	H	α-helix	trans	-73.6	-43.6	168.5	-70.1	165.7	-170.5	165.5	0	111.7	T761 E762 A763	T761-K765 VanDerWaalsContact O-CG 3.22Å; T761-K765 WeakPolarHBondContact O-CG 3.29Å; T761-K765 PolarHBondContact O-N 2.98Å; E762-K765 WeakPolarHBondContact O-CB 3.34Å; E762-K765 PolarHBondContact O-N 2.84Å; E762-K765 VanDerWaalsContact O-N 3.14Å; E762-K765 IonicContact OE1-NZ 2.66Å; E762-K765 PolarHBondContact OE1-NZ 2.96Å; A763-K765 VanDerWaalsContact C-N 3.35Å
766	A	68.6	Low	60.7	Low	86 Å²	86	76.5 Å²	76.5	71%	0.711	40%	0.402	S	S	*	.	H	α-helix	trans	-71.7	-34.1	-173	0	0	0	0	0	112.5	E762 A763	E762-A766 VanDerWaalsContact O-CB 3.31Å; E762-A766 WeakPolarHBondContact O-CB 3.18Å; E762-A766 PolarHBondContact O-N 3.42Å; A763-A766 PolarHBondContact O-N 3.35Å
767	N	62.2	Low	60.2	Low	40 Å²	40	81.7 Å²	81.7	21%	0.214	43%	0.431	C	S	.	.			trans	-132.7	84.6	-179.1	-171.6	3	0	0	0	111.3	Q740 A763 N769 L770	Q740-N767 PolarHBondContact OE1-ND2 3.27Å; A763-N767 PolarHBondContact O-N 2.76Å; N767-N769 PolarHBondContact O-N 3.12Å; N767-N769 VanDerWaalsContact O-N 3.12Å; N767-N769 WeakPolarHBondContact OD1-CB 3.44Å; N767-N769 PolarHBondContact OD1-N 3.1Å; N767-L770 HydrophobicContact CB-CB 4.19Å; N767-L770 WeakPolarHBondContact O-CB 3.37Å; N767-L770 PolarHBondContact O-N 3.45Å
768	P	60.8	Low	59.9	Low	89 Å²	89	80.9 Å²	80.9	58%	0.578	43%	0.43	S	S	*	.	H	α-helix	trans	-62.5	-18.1	177.1	24.1	-33.8	0	0	0	113.7	L770 L771 K772	P768-L770 PolarHBondContact O-N 2.77Å; P768-L771 PolarHBondContact O-N 3.1Å; P768-K772 PolarHBondContact O-N 3.1Å
769	N	59.4	Low	59.4	Low	113 Å²	113	76.2 Å²	76.2	60%	0.604	42%	0.416	S	S	*	.	H	α-helix	trans	-70.4	-21.1	172	-54.6	-61.2	0	0	0	112.5	N767 L771 K772 G773	N767-N769 PolarHBondContact O-N 3.12Å; N767-N769 VanDerWaalsContact O-N 3.12Å; N767-N769 WeakPolarHBondContact OD1-CB 3.44Å; N767-N769 PolarHBondContact OD1-N 3.1Å; N769-L771 VanDerWaalsContact C-N 3.34Å; N769-K772 PolarHBondContact O-N 2.92Å; N769-G773 PolarHBondContact O-N 3.45Å
770	L	58.2	Low	58.5	Low	14 Å²	14	81.2 Å²	81.2	7%	0.073	45%	0.448	C	S	.	.	H	α-helix	trans	-62	-43.7	174.5	-162.6	127.4	0	0	0	110.7	L737 L764 N767 P768 G773 M774	L737-L770 HydrophobicContact CD1-CD1 3.5Å; L737-L770 HydrophobicContact CD1-CG 3.71Å; L764-L770 HydrophobicContact CD2-CD2 3.71Å; L764-L770 HydrophobicContact CG-CD2 4.47Å; N767-L770 HydrophobicContact CB-CB 4.19Å; N767-L770 WeakPolarHBondContact O-CB 3.37Å; N767-L770 PolarHBondContact O-N 3.45Å; P768-L770 PolarHBondContact O-N 2.77Å; L770-G773 PolarHBondContact O-N 2.6Å; L770-M774 HydrophobicContact CD2-SD 4.31Å; L770-M774 WeakPolarHBondContact O-CG 3.41Å; L770-M774 PolarHBondContact O-N 2.19Å; L770-M774 VanDerWaalsContact O-N 3.1Å
771	L	53.9	Low	57.4	Low	85 Å²	85	83.5 Å²	83.5	45%	0.445	47%	0.469	S	S	.	.	H	α-helix	trans	-63.6	-40.9	173.4	-174	67.6	0	0	0	111.7	L764 P768 N769 M774 Q775	L764-L771 HydrophobicContact CD2-CB 4.11Å; L764-L771 HydrophobicContact CD2-CD1 4.33Å; P768-L771 PolarHBondContact O-N 3.1Å; N769-L771 VanDerWaalsContact C-N 3.34Å; L771-M774 PolarHBondContact O-N 3.26Å; L771-Q775 WeakPolarHBondContact O-CG 3.4Å; L771-Q775 PolarHBondContact O-N 3.33Å
772	K	57	Low	56.4	Low	111 Å²	111	84.2 Å²	84.2	48%	0.483	47%	0.47	S	S	.	.	H	α-helix	trans	-64.3	-43.5	177.6	-165.6	-178.5	-176.8	-103.2	0	112	P768 N769 M774 Q775 E776	P768-K772 PolarHBondContact O-N 3.1Å; N769-K772 PolarHBondContact O-N 2.92Å; K772-M774 VanDerWaalsContact C-N 3.32Å; K772-M774 PolarHBondContact O-N 3.23Å; K772-Q775 WeakPolarHBondContact O-CB 3.2Å; K772-Q775 PolarHBondContact O-N 2.93Å; K772-Q775 VanDerWaalsContact O-N 3.14Å; K772-E776 WeakPolarHBondContact CE-OE1 3.4Å; K772-E776 IonicContact NZ-OE1 3.82Å; K772-E776 PolarHBondContact NZ-OE1 2.63Å; K772-E776 WeakPolarHBondContact O-CG 3.44Å; K772-E776 PolarHBondContact O-N 3.12Å
773	G	60	Low	55.3	Low	20 Å²	20	84.5 Å²	84.5	21%	0.206	48%	0.481	C	S	.	.	H	α-helix	trans	-62.9	-36.3	175.5	0	0	0	0	0	112.9	N769 L770 L777	N769-G773 PolarHBondContact O-N 3.45Å; L770-G773 PolarHBondContact O-N 2.6Å; G773-L777 PolarHBondContact O-N 3.01Å
774	M	52.2	Low	54.5	Low	67 Å²	67	87.6 Å²	87.6	33%	0.33	50%	0.502	S	S	.	.	H	α-helix	trans	-66.6	-38.4	171.6	-68.6	177.7	72.5	0	0	112.3	L770 L771 K772 L777 L778 V790	L770-M774 HydrophobicContact CD2-SD 4.31Å; L770-M774 WeakPolarHBondContact O-CG 3.41Å; L770-M774 PolarHBondContact O-N 2.19Å; L770-M774 VanDerWaalsContact O-N 3.1Å; L771-M774 PolarHBondContact O-N 3.26Å; K772-M774 VanDerWaalsContact C-N 3.32Å; K772-M774 PolarHBondContact O-N 3.23Å; M774-L777 PolarHBondContact O-N 3.02Å; M774-L778 WeakPolarHBondContact O-CG 3.45Å; M774-L778 PolarHBondContact O-N 3.05Å; M774-V790 HydrophobicContact CE-CG1 3.73Å; M774-V790 HydrophobicContact CE-CG2 4.05Å
775	Q	53.2	Low	54.2	Low	111 Å²	111	91.6 Å²	91.6	52%	0.519	52%	0.519	S	S	.	.	H	α-helix	trans	-68.3	-39.3	175.8	-72.3	169.2	-15.9	0	0	112.6	L771 K772 L777 L778 G779	L771-Q775 WeakPolarHBondContact O-CG 3.4Å; L771-Q775 PolarHBondContact O-N 3.33Å; K772-Q775 WeakPolarHBondContact O-CB 3.2Å; K772-Q775 PolarHBondContact O-N 2.93Å; K772-Q775 VanDerWaalsContact O-N 3.14Å; Q775-L777 VanDerWaalsContact C-N 3.29Å; Q775-L777 PolarHBondContact O-N 2.91Å; Q775-L778 PolarHBondContact O-N 3.3Å; Q775-G779 PolarHBondContact O-N 2.68Å
776	E	58.1	Low	53.3	Low	132 Å²	132	86.7 Å²	86.7	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-66.3	-30.7	176.3	-73.8	173	-175.6	0	0	112.3	K772	K772-E776 WeakPolarHBondContact CE-OE1 3.4Å; K772-E776 IonicContact NZ-OE1 3.82Å; K772-E776 PolarHBondContact NZ-OE1 2.63Å; K772-E776 WeakPolarHBondContact O-CG 3.44Å; K772-E776 PolarHBondContact O-N 3.12Å
777	L	49	Very low	52.3	Low	141 Å²	141	85.4 Å²	85.4	74%	0.738	49%	0.489	S	S	*	.	H	α-helix	trans	-76.9	-25.2	175.1	-107.9	161.3	0	0	0	114.6	G773 M774 Q775	G773-L777 PolarHBondContact O-N 3.01Å; M774-L777 PolarHBondContact O-N 3.02Å; Q775-L777 VanDerWaalsContact C-N 3.29Å; Q775-L777 PolarHBondContact O-N 2.91Å
778	L	51.4	Low	51.8	Low	74 Å²	74	87.5 Å²	87.5	39%	0.387	51%	0.507	S	S	.	.	H	α-helix	trans	-102.8	-17.8	-175.7	-67.9	170.2	0	0	0	113.8	M774 Q775 V790	M774-L778 WeakPolarHBondContact O-CG 3.45Å; M774-L778 PolarHBondContact O-N 3.05Å; Q775-L778 PolarHBondContact O-N 3.3Å; L778-V790 HydrophobicContact CD1-CG2 3.42Å; L778-V790 VanDerWaalsContact CD1-CG2 3.42Å
779	G	53.1	Low	51.6	Low	30 Å²	30	85.3 Å²	85.3	31%	0.309	50%	0.496	S	S	.	.			trans	86.3	162.8	177.5	0	0	0	0	0	114.2	Q775 S781	Q775-G779 PolarHBondContact O-N 2.68Å; G779-S781 PolarHBondContact O-N 3Å
780	P	43.3	Very low	51.4	Low	131 Å²	131	81.6 Å²	81.6	85%	0.851	48%	0.477	S	S	*	.	S	Bend	trans	-89.5	105.1	-170.1	33.3	-33.7	0	0	0	113.2
781	S	39	Very low	51.4	Low	103 Å²	103	85.9 Å²	85.9	72%	0.72	50%	0.5	S	S	*	.	S	Bend	trans	177	154.2	142.2	-81.7	0	0	0	0	112.5	G779 N786	G779-S781 PolarHBondContact O-N 3Å; S781-N786 PolarHBondContact O-ND2 3.16Å
782	D	45.2	Very low	51.9	Low	87 Å²	87	84.6 Å²	84.6	47%	0.465	50%	0.502	S	S	.	.			trans	47.2	114.3	177.3	-149.2	-66.1	0	0	0	118.6	S784 N786	D782-S784 VanDerWaalsContact C-N 3.26Å; D782-S784 PolarHBondContact O-N 3.31Å; D782-S784 WeakPolarHBondContact OD1-CA 3.25Å; D782-S784 VanDerWaalsContact OD1-CB 3.29Å; D782-S784 WeakPolarHBondContact OD1-CB 3.38Å; D782-S784 PolarHBondContact OD1-N 2.65Å; D782-S784 PolarHBondContact OD1-OG 3.12Å; D782-N786 PolarHBondContact O-ND2 3.35Å
783	P	44.4	Very low	52.1	Low	117 Å²	117	85.8 Å²	85.8	76%	0.76	50%	0.504	S	S	*	.	H	α-helix	trans	-63.6	-23.2	175.7	-22.8	34.3	0	0	0	115.5
784	S	46.2	Very low	52.1	Low	85 Å²	85	87.6 Å²	87.6	59%	0.594	51%	0.508	S	S	*	.	H	α-helix	trans	-82	-40.5	-173.1	70.1	0	0	0	0	113	D782	D782-S784 VanDerWaalsContact C-N 3.26Å; D782-S784 PolarHBondContact O-N 3.31Å; D782-S784 WeakPolarHBondContact OD1-CA 3.25Å; D782-S784 VanDerWaalsContact OD1-CB 3.29Å; D782-S784 WeakPolarHBondContact OD1-CB 3.38Å; D782-S784 PolarHBondContact OD1-N 2.65Å; D782-S784 PolarHBondContact OD1-OG 3.12Å
785	E	54.4	Low	52.7	Low	147 Å²	147	89.4 Å²	89.4	69%	0.687	52%	0.519	S	S	*	.	H	α-helix	trans	-69.8	-38.5	174.4	-61.8	-163.3	133.8	0	0	111.2	A787 S788 A789	E785-A787 VanDerWaalsContact C-N 3.31Å; E785-A787 PolarHBondContact O-N 3.26Å; E785-S788 WeakPolarHBondContact O-CB 3.1Å; E785-S788 PolarHBondContact O-N 3.05Å; E785-A789 PolarHBondContact O-N 3.17Å
786	N	50.3	Low	53.4	Low	38 Å²	38	86.6 Å²	86.6	20%	0.203	51%	0.511	C	S	.	.	H	α-helix	trans	-56.2	-39.7	178	-92.8	-71.5	0	0	0	113.4	S781 D782 S788 A789 V790	S781-N786 PolarHBondContact O-ND2 3.16Å; D782-N786 PolarHBondContact O-ND2 3.35Å; N786-S788 VanDerWaalsContact C-N 3.25Å; N786-S788 PolarHBondContact O-N 3.08Å; N786-A789 PolarHBondContact O-N 3.49Å; N786-V790 WeakPolarHBondContact O-CB 3.39Å; N786-V790 VanDerWaalsContact O-CG2 3.29Å; N786-V790 WeakPolarHBondContact O-CG2 3.35Å; N786-V790 PolarHBondContact O-N 3.5Å
787	A	47.1	Very low	53.4	Low	59 Å²	59	83.6 Å²	83.6	49%	0.488	50%	0.499	S	S	.	.	H	α-helix	trans	-61.4	-34.8	177.2	0	0	0	0	0	112.6	E785 L791	E785-A787 VanDerWaalsContact C-N 3.31Å; E785-A787 PolarHBondContact O-N 3.26Å; A787-L791 WeakPolarHBondContact O-CB 3.42Å; A787-L791 PolarHBondContact O-N 3.3Å
788	S	52.7	Low	53.6	Low	84 Å²	84	79.7 Å²	79.7	59%	0.587	48%	0.478	S	S	*	.	H	α-helix	trans	-73.9	-41.8	175.6	-165.9	0	0	0	0	111.8	E785 N786 L791 A792	E785-S788 WeakPolarHBondContact O-CB 3.1Å; E785-S788 PolarHBondContact O-N 3.05Å; N786-S788 VanDerWaalsContact C-N 3.25Å; N786-S788 PolarHBondContact O-N 3.08Å; S788-L791 PolarHBondContact O-N 3.42Å; S788-A792 WeakPolarHBondContact O-CB 3.4Å; S788-A792 PolarHBondContact O-N 2.95Å
789	A	56.6	Low	54.3	Low	42 Å²	42	78.9 Å²	78.9	35%	0.347	48%	0.483	S	S	.	.	H	α-helix	trans	-63.2	-44.2	176.4	0	0	0	0	0	112.4	E785 N786 L791 A792 Y793	E785-A789 PolarHBondContact O-N 3.17Å; N786-A789 PolarHBondContact O-N 3.49Å; A789-L791 PolarHBondContact O-N 2.96Å; A789-A792 PolarHBondContact O-N 3.35Å; A789-Y793 WeakPolarHBondContact O-CB 3.24Å; A789-Y793 PolarHBondContact O-N 2.97Å
790	V	54.1	Low	54.7	Low	35 Å²	35	81.6 Å²	81.6	21%	0.212	49%	0.49	C	S	.	.	H	α-helix	trans	-58.2	-47.2	172.8	169.1	0	0	0	0	110.8	M774 L778 N786 Y793 I794	M774-V790 HydrophobicContact CE-CG1 3.73Å; M774-V790 HydrophobicContact CE-CG2 4.05Å; L778-V790 HydrophobicContact CD1-CG2 3.42Å; L778-V790 VanDerWaalsContact CD1-CG2 3.42Å; N786-V790 WeakPolarHBondContact O-CB 3.39Å; N786-V790 VanDerWaalsContact O-CG2 3.29Å; N786-V790 WeakPolarHBondContact O-CG2 3.35Å; N786-V790 PolarHBondContact O-N 3.5Å; V790-Y793 PolarHBondContact O-N 3.49Å; V790-I794 HydrophobicContact CG1-CD1 3.68Å; V790-I794 HydrophobicContact CG1-CG1 4.45Å; V790-I794 WeakPolarHBondContact O-CB 3.26Å; V790-I794 VanDerWaalsContact O-CG1 3.29Å; V790-I794 WeakPolarHBondContact O-CG1 3.44Å; V790-I794 PolarHBondContact O-N 2.89Å
791	L	58.2	Low	55.1	Low	105 Å²	105	79.5 Å²	79.5	55%	0.55	47%	0.471	S	S	.	.	H	α-helix	trans	-62.3	-43.2	177.2	-101.6	162.8	0	0	0	112.4	A787 S788 A789 Y793 I794 L795	A787-L791 WeakPolarHBondContact O-CB 3.42Å; A787-L791 PolarHBondContact O-N 3.3Å; S788-L791 PolarHBondContact O-N 3.42Å; A789-L791 PolarHBondContact O-N 2.96Å; L791-Y793 VanDerWaalsContact C-N 3.35Å; L791-Y793 PolarHBondContact O-N 2.69Å; L791-I794 PolarHBondContact O-N 2.84Å; L791-L795 WeakPolarHBondContact O-CB 3.37Å; L791-L795 WeakPolarHBondContact O-CD1 3.24Å; L791-L795 WeakPolarHBondContact O-CG 3.37Å; L791-L795 PolarHBondContact O-N 3.24Å
792	A	63.7	Low	55.7	Low	58 Å²	58	77.9 Å²	77.9	48%	0.479	46%	0.46	S	S	.	.	H	α-helix	trans	-62.7	-40.8	177.5	0	0	0	0	0	112	S788 A789 L795 S796	S788-A792 WeakPolarHBondContact O-CB 3.4Å; S788-A792 PolarHBondContact O-N 2.95Å; A789-A792 PolarHBondContact O-N 3.35Å; A792-L795 PolarHBondContact O-N 2.87Å; A792-S796 PolarHBondContact O-N 3.47Å
793	Y	62.5	Low	56.1	Low	136 Å²	136	76.7 Å²	76.7	53%	0.533	46%	0.458	S	S	.	.	H	α-helix	trans	-70.2	-40.2	177.5	-176.3	-115.2	0	0	0	112.9	A789 V790 L791 L795 S796 L797	A789-Y793 WeakPolarHBondContact O-CB 3.24Å; A789-Y793 PolarHBondContact O-N 2.97Å; V790-Y793 PolarHBondContact O-N 3.49Å; L791-Y793 VanDerWaalsContact C-N 3.35Å; L791-Y793 PolarHBondContact O-N 2.69Å; Y793-L795 VanDerWaalsContact C-N 3.3Å; Y793-L795 PolarHBondContact O-N 3.03Å; Y793-S796 PolarHBondContact O-N 2.65Å; Y793-S796 PolarHBondContact O-OG 3.45Å; Y793-L797 HydrophobicContact CD1-CD1 4.03Å; Y793-L797 HydrophobicContact CE1-CD1 3.61Å; Y793-L797 HydrophobicContact CE1-CG 4.38Å; Y793-L797 HydrophobicContact CE2-CD1 4.47Å; Y793-L797 HydrophobicContact CE2-CG 4.39Å; Y793-L797 WeakPolarHBondContact O-CG 3.48Å; Y793-L797 PolarHBondContact O-N 3.48Å
794	I	59.7	Low	56.4	Low	57 Å²	57	76.7 Å²	76.7	29%	0.292	45%	0.448	S	S	.	.	H	α-helix	trans	-61.9	-41.2	171.7	-69.3	168.4	0	0	0	110.2	V790 L791 L797 L798	V790-I794 HydrophobicContact CG1-CD1 3.68Å; V790-I794 HydrophobicContact CG1-CG1 4.45Å; V790-I794 WeakPolarHBondContact O-CB 3.26Å; V790-I794 VanDerWaalsContact O-CG1 3.29Å; V790-I794 WeakPolarHBondContact O-CG1 3.44Å; V790-I794 PolarHBondContact O-N 2.89Å; L791-I794 PolarHBondContact O-N 2.84Å; I794-L797 PolarHBondContact O-N 2.95Å; I794-L798 HydrophobicContact CG2-CD1 4.05Å; I794-L798 WeakPolarHBondContact O-CB 3.37Å; I794-L798 VanDerWaalsContact O-CG 3.28Å; I794-L798 WeakPolarHBondContact O-CG 3.47Å; I794-L798 PolarHBondContact O-N 3.45Å
795	L	64.2	Low	56.4	Low	106 Å²	106	75.7 Å²	75.7	56%	0.555	44%	0.441	S	S	*	.	H	α-helix	trans	-69.5	-33.6	177.7	-72.3	167.9	0	0	0	113.2	L791 A792 Y793 L798 A799	L791-L795 WeakPolarHBondContact O-CB 3.37Å; L791-L795 WeakPolarHBondContact O-CD1 3.24Å; L791-L795 WeakPolarHBondContact O-CG 3.37Å; L791-L795 PolarHBondContact O-N 3.24Å; A792-L795 PolarHBondContact O-N 2.87Å; Y793-L795 VanDerWaalsContact C-N 3.3Å; Y793-L795 PolarHBondContact O-N 3.03Å; L795-L798 HydrophobicContact CD2-CD1 4.37Å; L795-A799 PolarHBondContact O-N 2.65Å
796	S	67.4	Low	55.8	Low	51 Å²	51	71.8 Å²	71.8	36%	0.357	43%	0.43	S	S	.	.	H	α-helix	trans	-69.6	-42.9	172.5	64.3	0	0	0	0	111.6	A792 Y793 L798 A799 D800	A792-S796 PolarHBondContact O-N 3.47Å; Y793-S796 PolarHBondContact O-N 2.65Å; Y793-S796 PolarHBondContact O-OG 3.45Å; S796-L798 VanDerWaalsContact C-N 3.3Å; S796-L798 PolarHBondContact O-N 3.25Å; S796-A799 WeakPolarHBondContact O-CB 3.3Å; S796-A799 PolarHBondContact O-N 3.06Å; S796-A799 VanDerWaalsContact O-N 3.07Å; S796-D800 PolarHBondContact O-N 2.99Å
797	L	59.1	Low	55.7	Low	70 Å²	70	73.6 Å²	73.6	37%	0.366	44%	0.443	S	S	.	.	H	α-helix	trans	-59.5	-39.5	173.5	-72	173.6	0	0	0	112.1	Y793 I794 D800 L801	Y793-L797 HydrophobicContact CD1-CD1 4.03Å; Y793-L797 HydrophobicContact CE1-CD1 3.61Å; Y793-L797 HydrophobicContact CE1-CG 4.38Å; Y793-L797 HydrophobicContact CE2-CD1 4.47Å; Y793-L797 HydrophobicContact CE2-CG 4.39Å; Y793-L797 WeakPolarHBondContact O-CG 3.48Å; Y793-L797 PolarHBondContact O-N 3.48Å; I794-L797 PolarHBondContact O-N 2.95Å; L797-D800 PolarHBondContact O-N 3.37Å; L797-L801 VanDerWaalsContact O-CB 3.3Å; L797-L801 WeakPolarHBondContact O-CB 3.15Å; L797-L801 WeakPolarHBondContact O-CG 3.4Å; L797-L801 PolarHBondContact O-N 3.21Å
798	L	53.2	Low	55.4	Low	58 Å²	58	73.2 Å²	73.2	30%	0.304	44%	0.439	S	S	.	.	H	α-helix	trans	-65.5	-35.9	173.8	-74.2	167.9	0	0	0	112.6	F748 I794 L795 S796 S802	F748-L798 HydrophobicContact CD1-CD2 4.46Å; F748-L798 HydrophobicContact CE1-CD2 3.78Å; F748-L798 HydrophobicContact CZ-CD2 4.43Å; I794-L798 HydrophobicContact CG2-CD1 4.05Å; I794-L798 WeakPolarHBondContact O-CB 3.37Å; I794-L798 VanDerWaalsContact O-CG 3.28Å; I794-L798 WeakPolarHBondContact O-CG 3.47Å; I794-L798 PolarHBondContact O-N 3.45Å; L795-L798 HydrophobicContact CD2-CD1 4.37Å; S796-L798 VanDerWaalsContact C-N 3.3Å; S796-L798 PolarHBondContact O-N 3.25Å; L798-S802 VanDerWaalsContact O-CB 3.25Å; L798-S802 WeakPolarHBondContact O-CB 3.33Å; L798-S802 PolarHBondContact O-N 3Å
799	A	65.4	Low	54.7	Low	58 Å²	58	74.9 Å²	74.9	48%	0.479	44%	0.44	S	S	.	.	H	α-helix	trans	-69.5	-43.7	175.1	0	0	0	0	0	112	L795 S796 S802 S803	L795-A799 PolarHBondContact O-N 2.65Å; S796-A799 WeakPolarHBondContact O-CB 3.3Å; S796-A799 PolarHBondContact O-N 3.06Å; S796-A799 VanDerWaalsContact O-N 3.07Å; A799-S802 WeakPolarHBondContact O-CB 3.27Å; A799-S802 PolarHBondContact O-N 3.49Å; A799-S803 PolarHBondContact O-N 3.27Å
800	D	62	Low	54	Low	87 Å²	87	80.2 Å²	80.2	47%	0.465	46%	0.457	S	S	.	.	H	α-helix	trans	-63	-46.1	176.5	-69.7	-24.8	0	0	0	110.9	S796 L797 S802 S803 Q804	S796-D800 PolarHBondContact O-N 2.99Å; L797-D800 PolarHBondContact O-N 3.37Å; D800-S802 VanDerWaalsContact C-N 3.33Å; D800-S802 PolarHBondContact O-N 3.02Å; D800-S803 WeakPolarHBondContact O-CB 3.37Å; D800-S803 PolarHBondContact O-N 3Å; D800-S803 VanDerWaalsContact O-N 3.13Å; D800-S803 PolarHBondContact O-OG 3.26Å; D800-Q804 WeakPolarHBondContact O-CG 3.22Å; D800-Q804 PolarHBondContact O-N 2.86Å
801	L	50.9	Low	53.4	Low	87 Å²	87	84.7 Å²	84.7	46%	0.455	48%	0.477	S	S	.	.	H	α-helix	trans	-62.5	-37.8	175.7	-72.6	169.3	0	0	0	112.3	L797 S803 Q804 S805	L797-L801 VanDerWaalsContact O-CB 3.3Å; L797-L801 WeakPolarHBondContact O-CB 3.15Å; L797-L801 WeakPolarHBondContact O-CG 3.4Å; L797-L801 PolarHBondContact O-N 3.21Å; L801-S803 VanDerWaalsContact C-N 3.32Å; L801-S803 PolarHBondContact O-N 3.32Å; L801-Q804 PolarHBondContact O-N 2.96Å; L801-S805 PolarHBondContact O-N 3.4Å; L801-S805 PolarHBondContact O-OG 3.19Å
802	S	52.6	Low	52.6	Low	69 Å²	69	82.3 Å²	82.3	48%	0.483	47%	0.47	S	S	.	.	H	α-helix	trans	-64.2	-34.4	173.2	-179.4	0	0	0	0	112.8	L798 A799 D800 S805 S806	L798-S802 VanDerWaalsContact O-CB 3.25Å; L798-S802 WeakPolarHBondContact O-CB 3.33Å; L798-S802 PolarHBondContact O-N 3Å; A799-S802 WeakPolarHBondContact O-CB 3.27Å; A799-S802 PolarHBondContact O-N 3.49Å; D800-S802 VanDerWaalsContact C-N 3.33Å; D800-S802 PolarHBondContact O-N 3.02Å; S802-S805 PolarHBondContact O-OG 3.45Å; S802-S805 VanDerWaalsContact O-OG 3.13Å; S802-S806 WeakPolarHBondContact O-CB 3.44Å; S802-S806 PolarHBondContact O-N 3.26Å; S802-S806 PolarHBondContact O-OG 2.64Å
803	S	54.4	Low	51.4	Low	61 Å²	61	84.9 Å²	84.9	43%	0.427	48%	0.475	S	S	.	.	H	α-helix	trans	-71	-37.7	173.1	82.2	0	0	0	0	112.1	A799 D800 L801 T807	A799-S803 PolarHBondContact O-N 3.27Å; D800-S803 WeakPolarHBondContact O-CB 3.37Å; D800-S803 PolarHBondContact O-N 3Å; D800-S803 VanDerWaalsContact O-N 3.13Å; D800-S803 PolarHBondContact O-OG 3.26Å; L801-S803 VanDerWaalsContact C-N 3.32Å; L801-S803 PolarHBondContact O-N 3.32Å; S803-T807 PolarHBondContact O-N 2.82Å; S803-T807 VanDerWaalsContact O-N 3.09Å; S803-T807 PolarHBondContact O-OG1 3.24Å
804	Q	50.4	Low	50.5	Low	118 Å²	118	82.4 Å²	82.4	55%	0.551	48%	0.483	S	S	*	.	H	α-helix	trans	-73.8	-36.2	179	-70.1	178.9	30.2	0	0	112.5	D800 L801 T807 A808	D800-Q804 WeakPolarHBondContact O-CG 3.22Å; D800-Q804 PolarHBondContact O-N 2.86Å; L801-Q804 PolarHBondContact O-N 2.96Å; Q804-T807 WeakPolarHBondContact CA-OG1 3.39Å; Q804-T807 PolarHBondContact O-OG1 3.47Å; Q804-A808 WeakPolarHBondContact O-CB 3.5Å; Q804-A808 PolarHBondContact O-N 3.45Å
805	S	44.8	Very low	49.6	Very low	63 Å²	63	84 Å²	84	44%	0.441	50%	0.499	S	S	.	.	H	α-helix	trans	-67	-37.7	173	63.7	0	0	0	0	112	L801 S802 A808 M809	L801-S805 PolarHBondContact O-N 3.4Å; L801-S805 PolarHBondContact O-OG 3.19Å; S802-S805 PolarHBondContact O-OG 3.45Å; S802-S805 VanDerWaalsContact O-OG 3.13Å; S805-A808 PolarHBondContact O-N 2.82Å; S805-M809 WeakPolarHBondContact O-CG 3.48Å; S805-M809 PolarHBondContact O-N 3.46Å
806	S	42.7	Very low	48.4	Very low	65 Å²	65	85 Å²	85	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-46.4	176.7	-57.8	0	0	0	0	111.6	S802 M809 E810	S802-S806 WeakPolarHBondContact O-CB 3.44Å; S802-S806 PolarHBondContact O-N 3.26Å; S802-S806 PolarHBondContact O-OG 2.64Å; S806-M809 PolarHBondContact O-N 2.99Å; S806-E810 PolarHBondContact O-N 2.65Å; S806-E810 VanDerWaalsContact O-N 3.13Å
807	T	47.2	Very low	46.9	Very low	76 Å²	76	91.3 Å²	91.3	47%	0.466	53%	0.527	S	S	.	.	H	α-helix	trans	-73	-29.1	177.6	45	0	0	0	0	113.2	S803 Q804 M811	S803-T807 PolarHBondContact O-N 2.82Å; S803-T807 VanDerWaalsContact O-N 3.09Å; S803-T807 PolarHBondContact O-OG1 3.24Å; Q804-T807 WeakPolarHBondContact CA-OG1 3.39Å; Q804-T807 PolarHBondContact O-OG1 3.47Å; T807-M811 WeakPolarHBondContact O-CG 3.5Å; T807-M811 PolarHBondContact O-N 2.76Å
808	A	41	Very low	45.8	Very low	51 Å²	51	94.2 Å²	94.2	42%	0.421	55%	0.548	S	S	.	.	H	α-helix	trans	-67.2	-42	170.7	0	0	0	0	0	112	Q804 S805 M811 S812	Q804-A808 WeakPolarHBondContact O-CB 3.5Å; Q804-A808 PolarHBondContact O-N 3.45Å; S805-A808 PolarHBondContact O-N 2.82Å; A808-M811 PolarHBondContact O-N 3.19Å; A808-S812 PolarHBondContact O-N 2.69Å; A808-S812 PolarHBondContact O-OG 2.93Å
809	M	39.4	Very low	44.9	Very low	120 Å²	120	95.7 Å²	95.7	59%	0.591	57%	0.569	S	S	*	*	H	α-helix	trans	-63.7	-44.6	175.9	-76.9	-169.9	72.5	0	0	112.3	S805 S806 M811 S812 D813	S805-M809 WeakPolarHBondContact O-CG 3.48Å; S805-M809 PolarHBondContact O-N 3.46Å; S806-M809 PolarHBondContact O-N 2.99Å; M809-M811 PolarHBondContact O-N 3.05Å; M809-S812 WeakPolarHBondContact CA-OG 3.38Å; M809-S812 PolarHBondContact O-N 2.85Å; M809-S812 PolarHBondContact O-OG 3.33Å; M809-S812 VanDerWaalsContact O-OG 3.07Å; M809-D813 PolarHBondContact O-N 2.84Å
810	E	40.7	Very low	43.4	Very low	153 Å²	153	99 Å²	99	72%	0.715	59%	0.589	S	S	*	*	H	α-helix	trans	-63.8	-28	176.9	-71.7	-171.2	151.7	0	0	112.8	S806 A814	S806-E810 PolarHBondContact O-N 2.65Å; S806-E810 VanDerWaalsContact O-N 3.13Å; E810-A814 WeakPolarHBondContact O-CB 3.27Å
811	M	41.7	Very low	42.3	Very low	130 Å²	130	100.1 Å²	100.1	64%	0.64	60%	0.603	S	S	*	*	H	α-helix	trans	-83.7	-28.3	172.6	-70.4	-167.3	-64.9	0	0	114.2	T807 A808 M809 S815	T807-M811 WeakPolarHBondContact O-CG 3.5Å; T807-M811 PolarHBondContact O-N 2.76Å; A808-M811 PolarHBondContact O-N 3.19Å; M809-M811 PolarHBondContact O-N 3.05Å; M811-S815 PolarHBondContact O-OG 3.03Å
812	S	42.3	Very low	41.6	Very low	55 Å²	55	104.7 Å²	104.7	39%	0.385	62%	0.622	S	S	.	*	H	α-helix	trans	-75.6	-43.7	176.9	59.2	0	0	0	0	112.4	A808 M809 A814 S815 I816	A808-S812 PolarHBondContact O-N 2.69Å; A808-S812 PolarHBondContact O-OG 2.93Å; M809-S812 WeakPolarHBondContact CA-OG 3.38Å; M809-S812 PolarHBondContact O-N 2.85Å; M809-S812 PolarHBondContact O-OG 3.33Å; M809-S812 VanDerWaalsContact O-OG 3.07Å; S812-A814 VanDerWaalsContact C-N 3.26Å; S812-A814 PolarHBondContact O-N 3.28Å; S812-S815 PolarHBondContact O-N 3.11Å; S812-I816 WeakPolarHBondContact O-CD1 3.14Å; S812-I816 WeakPolarHBondContact O-CG1 3.42Å
813	D	38.8	Very low	40.8	Very low	112 Å²	112	109.3 Å²	109.3	60%	0.599	64%	0.64	S	S	*	*	H	α-helix	trans	-65.2	-32	176.9	-85.3	-23.2	0	0	0	111.9	M809 S815	M809-D813 PolarHBondContact O-N 2.84Å; D813-S815 PolarHBondContact O-N 3.17Å
814	A	42.8	Very low	39.9	Very low	83 Å²	83	114.2 Å²	114.2	69%	0.686	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-14.7	173.6	0	0	0	0	0	114.3	E810 S812	E810-A814 WeakPolarHBondContact O-CB 3.27Å; S812-A814 VanDerWaalsContact C-N 3.26Å; S812-A814 PolarHBondContact O-N 3.28Å
815	S	40.9	Very low	39.5	Very low	91 Å²	91	113.6 Å²	113.6	64%	0.636	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	-2.7	-170.5	-59.1	0	0	0	0	114.9	M811 S812 D813	M811-S815 PolarHBondContact O-OG 3.03Å; S812-S815 PolarHBondContact O-N 3.11Å; D813-S815 PolarHBondContact O-N 3.17Å
816	I	38.2	Very low	39.2	Very low	127 Å²	127	118.7 Å²	118.7	65%	0.651	68%	0.678	S	S	*	*	S	Bend	trans	-101.2	-11.1	-167.6	-74.2	170.8	0	0	0	114.3	S812 T818	S812-I816 WeakPolarHBondContact O-CD1 3.14Å; S812-I816 WeakPolarHBondContact O-CG1 3.42Å; I816-T818 PolarHBondContact O-N 3.4Å
817	Q	36.8	Very low	39.1	Very low	183 Å²	183	123 Å²	123	86%	0.855	69%	0.691	S	S	*	*	S	Bend	trans	-90.2	9.9	-173.4	-66.9	-163.4	-6.5	0	0	116.7
818	T	36	Very low	38.7	Very low	131 Å²	131	127.2 Å²	127.2	80%	0.804	71%	0.71	S	S	*	*	S	Bend	trans	-140.1	52.1	-174.6	47.5	0	0	0	0	116.8	I816	I816-T818 PolarHBondContact O-N 3.4Å
819	A	34.9	Very low	38.8	Very low	90 Å²	90	129.6 Å²	129.6	74%	0.744	72%	0.721	S	S	*	*			trans	-168	101.3	153.1	0	0	0	0	0	114.8
820	S	33.7	Very low	38.9	Very low	128 Å²	128	134.5 Å²	134.5	90%	0.895	73%	0.733	S	S	*	*			trans	-172.3	133.9	145.1	-86.1	0	0	0	0	110.4
821	S	38.1	Very low	39	Very low	109 Å²	109	133.8 Å²	133.8	76%	0.762	73%	0.734	S	S	*	*			trans	-136.1	141.7	-164.9	-55.5	0	0	0	0	111.6
822	Q	35.8	Very low	39.1	Very low	183 Å²	183	131.5 Å²	131.5	86%	0.855	73%	0.731	S	S	*	*			trans	66.4	134.4	168.6	-51.1	170.9	-3.5	0	0	113.8
823	I	37.3	Very low	39	Very low	166 Å²	166	136.3 Å²	136.3	85%	0.851	75%	0.752	S	S	*	*				-159.2	157.6	65.7	-85.1	165.6	0	0	0	109.2
824	H	34.1	Very low	39.2	Very low	165 Å²	165	136.3 Å²	136.3	76%	0.764	76%	0.761	S	S	*	*			trans	-121.9	150.8	178.9	-167.5	25.8	0	0	0	109.5
825	P	42.7	Very low	39	Very low	104 Å²	104	143.6 Å²	143.6	68%	0.675	77%	0.771	S	S	*	*				-152	152.1	108.5	38.2	-21.5	0	0	0	116.8
826	Q	39	Very low	39.1	Very low	170 Å²	170	146.9 Å²	146.9	79%	0.794	78%	0.78	S	S	*	*			trans	41.8	156.8	132.2	-58.7	-172.8	24.3	0	0	123.4
827	H	40.5	Very low	39.6	Very low	155 Å²	155	150.8 Å²	150.8	72%	0.718	81%	0.81	S	S	*	*			cis	178.9	129.6	-28.1	-170.5	-80.5	0	0	0	108.2
828	L	37.8	Very low	39.8	Very low	166 Å²	166	149.2 Å²	149.2	87%	0.869	81%	0.808	S	S	*	*			trans	171.2	130.9	153.3	-99.5	160.9	0	0	0	112.9
829	P	43.4	Very low	40	Very low	100 Å²	100	150.1 Å²	150.1	65%	0.649	81%	0.808	S	S	*	*			trans	-121.8	-167.7	178.3	43.1	-33.1	0	0	0	114.9
830	R	40.8	Very low	40.3	Very low	224 Å²	224	153.4 Å²	153.4	85%	0.845	81%	0.812	S	S	*	*			trans	101.4	151.4	-177.3	-63.6	-172.4	-174.5	-178.2	1.5	113.7
831	D	43.8	Very low	40.6	Very low	137 Å²	137	154.9 Å²	154.9	73%	0.733	81%	0.807	S	S	*	*			cis	-170.3	161.3	-18.9	-93.5	-26.4	0	0	0	107.2
832	S	42.4	Very low	40.8	Very low	83 Å²	83	157.8 Å²	157.8	58%	0.58	81%	0.81	S	S	*	*			cis	-168.1	167	-21.6	63.9	0	0	0	0	109.3
833	N	42	Very low	41.1	Very low	155 Å²	155	156.1 Å²	156.1	83%	0.829	81%	0.807	S	S	*	*			trans	66.3	159.1	167.1	-66.9	-60.9	0	0	0	117.4
834	S	41.4	Very low	41.4	Very low	112 Å²	112	155.4 Å²	155.4	78%	0.783	80%	0.804	S	S	*	*			cis	-147.3	162.1	-3.6	44	0	0	0	0	112.6
835	R	39.6	Very low	42	Very low	236 Å²	236	154.7 Å²	154.7	89%	0.891	81%	0.807	S	S	*	*			trans	-58.9	161.4	176.6	-56.5	169.8	170.2	176	-5	114.9
836	L	43	Very low	41.9	Very low	160 Å²	160	158.9 Å²	158.9	84%	0.838	82%	0.818	S	S	*	*				-165.3	152.9	111.2	-104.6	166.4	0	0	0	113.3
837	T	49.3	Very low	42.2	Very low	209 Å²	209	157.9 Å²	157.9	100%	1.282	82%	0.82	S	S	*	*			trans	48.1	0	177	61.5	0	0	0	0	117.8

Retrieved 837 of 837 residues in 1246.2 ms (Link to these results)

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