A0A5K4EPG5_SCHMA Loading...

Phosphodiesterase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EPG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 854 aa.

						>A0A5K4EPG5_SCHMA|A0A5K4EPG5
MHNNNKPGIHMSSELDKKRKAYRRCYSIQPDRSRQIHPSGNVMLKSYSKIIDNESHILSEHSQQSTQIKQKSKSVQQQQTHFEHHYEEGHLNSQMINPSSTTSKCCGVRFNNFGHLNTRSFDAGANDECQFRLEEHRGSNLVLQHITGRRGSFLYRQETNSGHSYYSSRHESITGDETTRYQIDEPIVTPFAQILASLRKVRFNFILLTNVTSTRDSRFGAVQPIQSTEDGNSSSHLGCSGGQNKITASETLEELEWCLERLENIQTHRSVSDMASSKFKKMLNKELSQFADAGQSGKQISEYICSTFLDSKENDPLTTTSHSSVISHNNTHGIMSNSINKDIMINNHDNPSEMNTCTPSDSIKNSESTGMYLFKSVEPGEIIQTTTTTTTLTDNIDGDTTIGVTGDSSSSNIPHTINSTTVTIGSTTMNKSLSKLSSSLSTLSLKMNSNVNVNENTNNNNNNNDDNNINIMMKSSGNSHTTMSIPPSGTSPLSHQHHSECDKIHCSQTQIVPYIINSTNPKKLEDLLKTSLDLWGIDIFEVDQLTTNPLTCIFYNIVQKRNLLQKFAIPERNLLLYMTAVEEKYNNNPYHNRVHAADVVQSTHVLLNAQSLESVFTDLEIFTVLFACAIHDVGHPGVTNQYLINTNDQLAILYNDSSVLENHHLAIAFSLLGQPGHDVFENFPRKQRLSSRRMIIDMVLATDMSKHMSLLADLKTMVETKKVAGSGILTLENYIDRMQILQNMVHCADLSNPAKPLDLYRQWTNRVMEELFQQGDKERELGIEISPICDRNTATIEKSQVSFIDYIVHPLWETWSDLVYPDAQTILETLEDNREWYYNQINENNNDNNAENDE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	34.3	Very low	235 Å²	235	154.9 Å²	154.9	100%	1.158	82%	0.815	S	S	*	*				0	144	0	-80.3	-179.7	158.9	0	0	108.1
2	H	32.7	Very low	35.2	Very low	174 Å²	174	150.6 Å²	150.6	81%	0.806	81%	0.807	S	S	*	*			trans	19.5	111.8	167.8	-64	87	0	0	0	119.6
3	N	33.8	Very low	36.3	Very low	136 Å²	136	142.2 Å²	142.2	73%	0.727	77%	0.767	S	S	*	*				69.8	115.7	80.3	-104.2	9.7	0	0	0	115.7
4	N	38.7	Very low	36.8	Very low	146 Å²	146	140 Å²	140	78%	0.781	75%	0.75	S	S	*	*			trans	158.4	111.7	140.6	-79.2	-19.6	0	0	0	108.4
5	N	35.5	Very low	37.9	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	73%	0.734	S	S	*	*				82.6	93.1	64.2	-87.3	-23.1	0	0	0	116.8
6	K	31.2	Very low	38.7	Very low	200 Å²	200	133.4 Å²	133.4	87%	0.87	71%	0.714	S	S	*	*			trans	50	166.2	139.7	-77.9	-173.7	174	-175.9	0	121.2
7	P	35.5	Very low	39.4	Very low	124 Å²	124	132.5 Å²	132.5	81%	0.805	70%	0.702	S	S	*	*			cis	-122.9	-167	-1.5	38.7	-20.3	0	0	0	113.5
8	G	30.6	Very low	40.1	Very low	70 Å²	70	132.7 Å²	132.7	72%	0.722	70%	0.695	S	S	*	*			cis	147.1	37.9	-19.8	0	0	0	0	0	120.6
9	I	34.7	Very low	40.8	Very low	161 Å²	161	131.2 Å²	131.2	83%	0.826	68%	0.68	S	S	*	*			trans	-126	116.1	177	-67.4	151.9	0	0	0	108.6
10	H	32.5	Very low	41.2	Very low	163 Å²	163	130.5 Å²	130.5	76%	0.755	67%	0.671	S	S	*	*			cis	88	43.8	43.9	-131.9	-52.4	0	0	0	116.9
11	M	38.8	Very low	41.5	Very low	154 Å²	154	126.6 Å²	126.6	76%	0.759	66%	0.659	S	S	*	*			trans	-120.7	-27	169.3	-87.9	-76.6	-102.3	0	0	115.9	S13	M11-S13 PolarHBondContact O-N 3.45Å
12	S	44.8	Very low	42.1	Very low	103 Å²	103	119.9 Å²	119.9	72%	0.72	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-17.4	-174.9	179.5	0	0	0	0	115.1	E14	S12-E14 PolarHBondContact O-N 2.84Å
13	S	49.2	Very low	42.6	Very low	42 Å²	42	120.3 Å²	120.3	29%	0.294	62%	0.615	S	S	.	*	H	α-helix	trans	-73.8	-18.8	-175.5	63.3	0	0	0	0	115.5	M11 K17	M11-S13 PolarHBondContact O-N 3.45Å; S13-K17 WeakPolarHBondContact O-CB 3.43Å; S13-K17 WeakPolarHBondContact O-CD 3.31Å; S13-K17 WeakPolarHBondContact O-CG 3.37Å; S13-K17 PolarHBondContact O-N 3.09Å
14	E	43.8	Very low	43	Very low	111 Å²	111	123.7 Å²	123.7	52%	0.519	62%	0.618	S	S	.	*	H	α-helix	trans	-82.2	-43.5	-172.1	-148.8	72.8	173.2	0	0	112.2	S12 K17 K18	S12-E14 PolarHBondContact O-N 2.84Å; E14-K17 WeakPolarHBondContact O-CB 3.39Å; E14-K17 PolarHBondContact O-N 3.2Å; E14-K17 IonicContact OE2-NZ 3.6Å; E14-K17 PolarHBondContact OE2-NZ 3.03Å; E14-K18 PolarHBondContact O-N 3.21Å
15	L	52.7	Low	43.2	Very low	98 Å²	98	120 Å²	120	51%	0.513	60%	0.603	S	S	.	*	H	α-helix	trans	-65.5	-41	171.2	-84.7	156.7	0	0	0	111.5	K17 K18 R19	L15-K17 VanDerWaalsContact C-N 3.32Å; L15-K17 PolarHBondContact O-N 3.15Å; L15-K18 WeakPolarHBondContact O-CB 3.24Å; L15-K18 PolarHBondContact O-N 3.38Å; L15-K18 VanDerWaalsContact O-N 3.08Å; L15-R19 PolarHBondContact O-N 3.2Å
16	D	50.4	Low	43.7	Very low	77 Å²	77	119.1 Å²	119.1	41%	0.412	59%	0.59	S	S	.	*	H	α-helix	trans	-68.5	-30.1	177.5	-171.7	44.9	0	0	0	112.4	K20	D16-K20 VanDerWaalsContact O-CB 3.27Å; D16-K20 WeakPolarHBondContact O-CB 3.18Å; D16-K20 WeakPolarHBondContact O-CG 3.43Å; D16-K20 PolarHBondContact O-N 3.05Å; D16-K20 IonicContact OD1-NZ 3.13Å; D16-K20 PolarHBondContact OD1-NZ 3.38Å; D16-K20 IonicContact OD2-NZ 3.03Å; D16-K20 PolarHBondContact OD2-NZ 2.75Å
17	K	51	Low	44.1	Very low	118 Å²	118	114.3 Å²	114.3	51%	0.513	58%	0.581	S	S	.	*	H	α-helix	trans	-66.2	-43.1	165.3	-77.8	168.7	-158.2	163.3	0	112.1	S13 E14 L15 K20 A21	S13-K17 WeakPolarHBondContact O-CB 3.43Å; S13-K17 WeakPolarHBondContact O-CD 3.31Å; S13-K17 WeakPolarHBondContact O-CG 3.37Å; S13-K17 PolarHBondContact O-N 3.09Å; E14-K17 WeakPolarHBondContact O-CB 3.39Å; E14-K17 PolarHBondContact O-N 3.2Å; E14-K17 IonicContact OE2-NZ 3.6Å; E14-K17 PolarHBondContact OE2-NZ 3.03Å; L15-K17 VanDerWaalsContact C-N 3.32Å; L15-K17 PolarHBondContact O-N 3.15Å; K17-K20 PolarHBondContact O-N 3.47Å; K17-A21 VanDerWaalsContact O-CB 3.31Å; K17-A21 WeakPolarHBondContact O-CB 3.39Å; K17-A21 PolarHBondContact O-N 2.79Å
18	K	52.8	Low	44.1	Very low	135 Å²	135	115.3 Å²	115.3	59%	0.587	58%	0.578	S	S	*	*	H	α-helix	trans	-62.7	-51.1	176.8	-76.6	-177	176	-176.9	0	111.7	E14 L15 K20 A21 Y22	E14-K18 PolarHBondContact O-N 3.21Å; L15-K18 WeakPolarHBondContact O-CB 3.24Å; L15-K18 PolarHBondContact O-N 3.38Å; L15-K18 VanDerWaalsContact O-N 3.08Å; K18-K20 VanDerWaalsContact C-N 3.27Å; K18-K20 PolarHBondContact O-N 3.32Å; K18-A21 PolarHBondContact O-N 3.37Å; K18-A21 VanDerWaalsContact O-N 3.12Å; K18-Y22 WeakPolarHBondContact O-CB 3.37Å; K18-Y22 PolarHBondContact O-N 2.87Å
19	R	52.2	Low	44.2	Very low	105 Å²	105	120.2 Å²	120.2	40%	0.396	58%	0.583	S	S	.	*	H	α-helix	trans	-56.2	-39.1	174.7	-75.5	-176.2	169.1	-176.9	-4.9	111.4	L15 R23 E831 D832	L15-R19 PolarHBondContact O-N 3.2Å; R19-R23 WeakPolarHBondContact O-CB 3.44Å; R19-R23 WeakPolarHBondContact O-CG 3.05Å; R19-R23 PolarHBondContact O-N 3.24Å; R19-R23 VanDerWaalsContact O-N 3.16Å; R19-E831 IonicContact CZ-OE2 3.16Å; R19-E831 IonicContact NE-OE2 2.75Å; R19-E831 PolarHBondContact NE-OE2 3.28Å; R19-E831 IonicContact NH2-OE2 3.13Å; R19-E831 PolarHBondContact NH2-OE2 2.8Å; R19-D832 IonicContact CZ-OD1 2.58Å; R19-D832 IonicContact NH1-OD1 2.6Å; R19-D832 IonicContact NH2-OD1 3.34Å; R19-D832 PolarHBondContact NH2-OD1 3.39Å
20	K	50.1	Low	44.4	Very low	116 Å²	116	118.7 Å²	118.7	50%	0.504	58%	0.583	S	S	.	*	H	α-helix	trans	-71.4	-39	173.9	-75.7	175.6	172.5	81.8	0	114.2	D16 K17 K18 R24	D16-K20 VanDerWaalsContact O-CB 3.27Å; D16-K20 WeakPolarHBondContact O-CB 3.18Å; D16-K20 WeakPolarHBondContact O-CG 3.43Å; D16-K20 PolarHBondContact O-N 3.05Å; D16-K20 IonicContact OD1-NZ 3.13Å; D16-K20 PolarHBondContact OD1-NZ 3.38Å; D16-K20 IonicContact OD2-NZ 3.03Å; D16-K20 PolarHBondContact OD2-NZ 2.75Å; K17-K20 PolarHBondContact O-N 3.47Å; K18-K20 VanDerWaalsContact C-N 3.27Å; K18-K20 PolarHBondContact O-N 3.32Å; K20-R24 VanDerWaalsContact O-CB 3.25Å; K20-R24 WeakPolarHBondContact O-CB 3.3Å; K20-R24 PolarHBondContact O-N 2.89Å
21	A	47.7	Very low	44.4	Very low	50 Å²	50	117 Å²	117	41%	0.413	58%	0.58	S	S	.	*	H	α-helix	trans	-66.9	-47.3	177.4	0	0	0	0	0	110.9	K17 K18 R23 R24 C25	K17-A21 VanDerWaalsContact O-CB 3.31Å; K17-A21 WeakPolarHBondContact O-CB 3.39Å; K17-A21 PolarHBondContact O-N 2.79Å; K18-A21 PolarHBondContact O-N 3.37Å; K18-A21 VanDerWaalsContact O-N 3.12Å; A21-R23 PolarHBondContact O-N 3.37Å; A21-R24 PolarHBondContact O-N 3.05Å; A21-C25 PolarHBondContact O-N 3.01Å; A21-C25 PolarHBondContact O-SG 3.36Å; A21-C25 VanDerWaalsContact O-SG 3.4Å
22	Y	45.4	Very low	44.1	Very low	93 Å²	93	119.3 Å²	119.3	37%	0.365	58%	0.58	S	S	.	*	H	α-helix	trans	-60.4	-46.6	178.5	-149.6	-86.5	0	0	0	111.4	K18 R24 C25 Y26	K18-Y22 WeakPolarHBondContact O-CB 3.37Å; K18-Y22 PolarHBondContact O-N 2.87Å; Y22-R24 VanDerWaalsContact C-N 3.29Å; Y22-R24 PolarHBondContact O-N 3.41Å; Y22-C25 PolarHBondContact O-N 3.45Å; Y22-Y26 HydrophobicContact CD1-CD2 4.17Å; Y22-Y26 HydrophobicContact CE1-CD2 4.05Å; Y22-Y26 HydrophobicContact CE1-CE2 4.21Å; Y22-Y26 HydrophobicContact CE2-CE2 4.47Å; Y22-Y26 PolarHBondContact O-N 3.41Å
23	R	43.1	Very low	43.3	Very low	183 Å²	183	119.3 Å²	119.3	69%	0.691	58%	0.58	S	S	*	*	H	α-helix	trans	-61.5	-32.4	171.8	-74.1	-175.6	-176.3	-155.9	0.4	113.3	R19 A21 S27	R19-R23 WeakPolarHBondContact O-CB 3.44Å; R19-R23 WeakPolarHBondContact O-CG 3.05Å; R19-R23 PolarHBondContact O-N 3.24Å; R19-R23 VanDerWaalsContact O-N 3.16Å; A21-R23 PolarHBondContact O-N 3.37Å; R23-S27 WeakPolarHBondContact O-CB 3.13Å; R23-S27 PolarHBondContact O-N 3.23Å
24	R	42.5	Very low	42.6	Very low	208 Å²	208	128.1 Å²	128.1	79%	0.785	61%	0.607	S	S	*	*	H	α-helix	trans	-79	-34.2	-178.1	-169.2	175.5	-87.6	166.3	-7.3	112.8	K20 A21 Y22	K20-R24 VanDerWaalsContact O-CB 3.25Å; K20-R24 WeakPolarHBondContact O-CB 3.3Å; K20-R24 PolarHBondContact O-N 2.89Å; A21-R24 PolarHBondContact O-N 3.05Å; Y22-R24 VanDerWaalsContact C-N 3.29Å; Y22-R24 PolarHBondContact O-N 3.41Å
25	C	42.1	Very low	42.1	Very low	68 Å²	68	131.6 Å²	131.6	46%	0.459	62%	0.623	S	S	.	*	H	α-helix	trans	-73.3	-32.6	177.7	-64.2	0	0	0	0	113	A21 Y22	A21-C25 PolarHBondContact O-N 3.01Å; A21-C25 PolarHBondContact O-SG 3.36Å; A21-C25 VanDerWaalsContact O-SG 3.4Å; Y22-C25 PolarHBondContact O-N 3.45Å
26	Y	45.7	Very low	41.1	Very low	123 Å²	123	134 Å²	134	48%	0.482	64%	0.635	S	S	.	*	H	α-helix	trans	-102.2	-7.5	-176.5	-71.3	-75.8	0	0	0	115.7	Y22 I28	Y22-Y26 HydrophobicContact CD1-CD2 4.17Å; Y22-Y26 HydrophobicContact CE1-CD2 4.05Å; Y22-Y26 HydrophobicContact CE1-CE2 4.21Å; Y22-Y26 HydrophobicContact CE2-CE2 4.47Å; Y22-Y26 PolarHBondContact O-N 3.41Å; Y26-I28 PolarHBondContact O-N 3.08Å
27	S	40.9	Very low	40.2	Very low	98 Å²	98	139.5 Å²	139.5	69%	0.685	66%	0.658	S	S	*	*			trans	-78.5	11.7	176.5	-175.5	0	0	0	0	114.6	R23 Q29	R23-S27 WeakPolarHBondContact O-CB 3.13Å; R23-S27 PolarHBondContact O-N 3.23Å; S27-Q29 PolarHBondContact O-N 3.23Å
28	I	35.1	Very low	39.4	Very low	145 Å²	145	138.8 Å²	138.8	74%	0.744	67%	0.665	S	S	*	*			trans	-88	74.4	175	-51.1	-178.3	0	0	0	109.6	Y26	Y26-I28 PolarHBondContact O-N 3.08Å
29	Q	32.9	Very low	38.5	Very low	174 Å²	174	138.3 Å²	138.3	81%	0.813	68%	0.679	S	S	*	*			trans	-90.6	129.1	162.1	-76.9	-164.9	-23.2	0	0	110.5	S27 D31	S27-Q29 PolarHBondContact O-N 3.23Å; Q29-D31 PolarHBondContact O-N 3.1Å
30	P	37.8	Very low	37.5	Very low	129 Å²	129	137 Å²	137	84%	0.838	70%	0.698	S	S	*	*			trans	-82.6	97.2	167.9	31.7	-30.4	0	0	0	110.3
31	D	34.1	Very low	37	Very low	128 Å²	128	139.1 Å²	139.1	68%	0.684	72%	0.715	S	S	*	*			trans	-76.6	138.5	177.1	-166.8	27	0	0	0	112.8	Q29	Q29-D31 PolarHBondContact O-N 3.1Å
32	R	30.9	Very low	36.6	Very low	201 Å²	201	141.9 Å²	141.9	76%	0.758	73%	0.726	S	S	*	*			trans	34.5	110.8	160.7	-74.3	155.9	-160.5	-140.7	-4.5	121.3
33	S	28.7	Very low	36.1	Very low	104 Å²	104	144 Å²	144	73%	0.727	74%	0.742	S	S	*	*				18.1	106.7	119.3	50.9	0	0	0	0	119.6
34	R	34.2	Very low	35.9	Very low	227 Å²	227	142.8 Å²	142.8	86%	0.857	75%	0.748	S	S	*	*				-178.6	138.9	122	-101.1	170.5	-162.7	-153	5	114.9
35	Q	33.2	Very low	35.9	Very low	183 Å²	183	141.3 Å²	141.3	86%	0.855	75%	0.747	S	S	*	*			trans	71.3	146.6	151	-69.4	-176.9	-12.3	0	0	120.8
36	I	32.1	Very low	35.9	Very low	150 Å²	150	140.7 Å²	140.7	77%	0.769	74%	0.744	S	S	*	*			trans	-104.3	134.3	-165	-64.3	155.8	0	0	0	109.1
37	H	32.4	Very low	35.5	Very low	191 Å²	191	141.4 Å²	141.4	88%	0.884	75%	0.746	S	S	*	*			trans	-164.6	125.2	139.1	-113.7	-74.8	0	0	0	111.3
38	P	33.6	Very low	35.5	Very low	103 Å²	103	139.9 Å²	139.9	67%	0.669	74%	0.736	S	S	*	*			trans	-97.7	137.5	-179.4	35.5	-31.8	0	0	0	112.6
39	S	34.6	Very low	35.9	Very low	125 Å²	125	140.3 Å²	140.3	87%	0.874	73%	0.732	S	S	*	*			trans	-162.7	128.2	158.3	-80.2	0	0	0	0	109.6
40	G	31.4	Very low	36.4	Very low	78 Å²	78	136.1 Å²	136.1	80%	0.804	71%	0.714	S	S	*	*			trans	-86.3	130.9	-165.2	0	0	0	0	0	115.2
41	N	37.6	Very low	36.9	Very low	160 Å²	160	134.8 Å²	134.8	86%	0.856	70%	0.699	S	S	*	*	S	Bend	trans	-168.3	7.5	139.5	-121.9	-29.2	0	0	0	115.2
42	V	39.9	Very low	37.4	Very low	108 Å²	108	133.1 Å²	133.1	66%	0.655	69%	0.69	S	S	*	*			trans	-89.8	-19.3	-169.3	-177.1	0	0	0	0	113.8	L44 K45	V42-L44 PolarHBondContact O-N 3.18Å; V42-L44 VanDerWaalsContact O-N 3.15Å; V42-K45 PolarHBondContact O-N 2.93Å
43	M	35.4	Very low	38.2	Very low	139 Å²	139	128.6 Å²	128.6	69%	0.685	68%	0.681	S	S	*	*	H	α-helix	trans	-58.1	-38.5	-164.1	-154.6	-159.3	-86.2	0	0	114.5	K45 S46 Y47	M43-K45 PolarHBondContact O-N 3.48Å; M43-S46 PolarHBondContact O-N 3.23Å; M43-Y47 HydrophobicContact CG-CD2 4.02Å; M43-Y47 HydrophobicContact CG-CE2 3.94Å; M43-Y47 PolarHBondContact O-N 3.25Å; M43-Y47 HydrophobicContact SD-CD2 4.33Å; M43-Y47 HydrophobicContact SD-CE2 3.82Å
44	L	39.5	Very low	39.1	Very low	156 Å²	156	129 Å²	129	82%	0.817	67%	0.672	S	S	*	*	H	α-helix	trans	-69.3	-26.6	-176.6	-79.8	166.7	0	0	0	114.6	V42	V42-L44 PolarHBondContact O-N 3.18Å; V42-L44 VanDerWaalsContact O-N 3.15Å
45	K	41.8	Very low	39.6	Very low	177 Å²	177	121.6 Å²	121.6	77%	0.77	66%	0.655	S	S	*	*	H	α-helix	trans	-82.8	-23.9	175.1	-77	-173.1	175.9	-179	0	112.9	V42 M43	V42-K45 PolarHBondContact O-N 2.93Å; M43-K45 PolarHBondContact O-N 3.48Å
46	S	42.7	Very low	40.7	Very low	56 Å²	56	118.2 Å²	118.2	39%	0.392	64%	0.639	S	S	.	*	H	α-helix	trans	-72.1	-42.1	173.2	-56.2	0	0	0	0	111.4	M43 S48 K49 I50	M43-S46 PolarHBondContact O-N 3.23Å; S46-S48 PolarHBondContact O-N 3.16Å; S46-K49 PolarHBondContact O-N 3.37Å; S46-I50 WeakPolarHBondContact O-CG1 3.43Å; S46-I50 PolarHBondContact O-N 3.36Å; S46-I50 VanDerWaalsContact O-N 3.1Å
47	Y	36.2	Very low	41.7	Very low	138 Å²	138	115.5 Å²	115.5	54%	0.541	63%	0.625	S	S	.	*	H	α-helix	trans	-60.3	-40.7	178.8	-95.5	-83	0	0	0	113.6	M43 K49 I50 I51	M43-Y47 HydrophobicContact CG-CD2 4.02Å; M43-Y47 HydrophobicContact CG-CE2 3.94Å; M43-Y47 PolarHBondContact O-N 3.25Å; M43-Y47 HydrophobicContact SD-CD2 4.33Å; M43-Y47 HydrophobicContact SD-CE2 3.82Å; Y47-K49 VanDerWaalsContact C-N 3.34Å; Y47-K49 PolarHBondContact O-N 3.11Å; Y47-I50 PolarHBondContact O-N 2.81Å; Y47-I51 WeakPolarHBondContact O-CG1 3.41Å; Y47-I51 PolarHBondContact O-N 3.22Å; Y47-I51 VanDerWaalsContact O-N 3.08Å
48	S	41	Very low	42.6	Very low	66 Å²	66	112.1 Å²	112.1	46%	0.462	61%	0.612	S	S	.	*	H	α-helix	trans	-58.6	-44.7	175.9	-169.9	0	0	0	0	112.1	S46 I50 I51 D52	S46-S48 PolarHBondContact O-N 3.16Å; S48-I50 VanDerWaalsContact C-N 3.32Å; S48-I50 PolarHBondContact O-N 3.16Å; S48-I51 PolarHBondContact O-N 3.31Å; S48-D52 VanDerWaalsContact O-CG 3.27Å; S48-D52 PolarHBondContact O-N 3.11Å
49	K	44.5	Very low	43.6	Very low	153 Å²	153	109.5 Å²	109.5	67%	0.665	60%	0.596	S	S	*	*	H	α-helix	trans	-70.2	-27	179.4	-75.9	-170.2	169.8	-168.8	0	113.7	S46 Y47 N53	S46-K49 PolarHBondContact O-N 3.37Å; Y47-K49 VanDerWaalsContact C-N 3.34Å; Y47-K49 PolarHBondContact O-N 3.11Å; K49-N53 WeakPolarHBondContact O-CB 3.26Å; K49-N53 PolarHBondContact O-N 2.75Å
50	I	43.6	Very low	44.8	Very low	86 Å²	86	106.8 Å²	106.8	44%	0.441	57%	0.57	S	S	.	*	H	α-helix	trans	-70	-45.7	174.3	-68.1	164.3	0	0	0	109.4	S46 Y47 S48 N53 E54	S46-I50 WeakPolarHBondContact O-CG1 3.43Å; S46-I50 PolarHBondContact O-N 3.36Å; S46-I50 VanDerWaalsContact O-N 3.1Å; Y47-I50 PolarHBondContact O-N 2.81Å; S48-I50 VanDerWaalsContact C-N 3.32Å; S48-I50 PolarHBondContact O-N 3.16Å; I50-N53 PolarHBondContact O-N 2.63Å; I50-E54 PolarHBondContact O-N 3.36Å
51	I	47.1	Very low	46.1	Very low	101 Å²	101	108.7 Å²	108.7	52%	0.518	56%	0.558	S	S	.	*	H	α-helix	trans	-64.1	-42.3	177.9	-65.1	167.7	0	0	0	111.5	Y47 S48 N53 E54 S55	Y47-I51 WeakPolarHBondContact O-CG1 3.41Å; Y47-I51 PolarHBondContact O-N 3.22Å; Y47-I51 VanDerWaalsContact O-N 3.08Å; S48-I51 PolarHBondContact O-N 3.31Å; I51-N53 VanDerWaalsContact C-N 3.34Å; I51-N53 PolarHBondContact O-N 2.73Å; I51-E54 PolarHBondContact O-N 3.42Å; I51-S55 PolarHBondContact O-N 3.24Å
52	D	45.5	Very low	46.9	Very low	93 Å²	93	104.4 Å²	104.4	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-60.5	-43.5	175.9	-67.1	-32.2	0	0	0	111.2	S48 S55 H56	S48-D52 VanDerWaalsContact O-CG 3.27Å; S48-D52 PolarHBondContact O-N 3.11Å; D52-S55 PolarHBondContact O-N 3.47Å; D52-S55 PolarHBondContact O-OG 2.64Å; D52-H56 PolarHBondContact O-N 2.97Å
53	N	48.4	Very low	47.8	Very low	107 Å²	107	105.4 Å²	105.4	57%	0.572	54%	0.538	S	S	*	.	H	α-helix	trans	-65.9	-43.4	175.9	-81.2	-0.7	0	0	0	112.7	K49 I50 I51 S55 H56 I57	K49-N53 WeakPolarHBondContact O-CB 3.26Å; K49-N53 PolarHBondContact O-N 2.75Å; I50-N53 PolarHBondContact O-N 2.63Å; I51-N53 VanDerWaalsContact C-N 3.34Å; I51-N53 PolarHBondContact O-N 2.73Å; N53-S55 VanDerWaalsContact C-N 3.27Å; N53-S55 PolarHBondContact O-N 3.42Å; N53-H56 PolarHBondContact O-N 3.46Å; N53-I57 WeakPolarHBondContact O-CB 3.34Å; N53-I57 VanDerWaalsContact O-CG1 3.28Å; N53-I57 WeakPolarHBondContact O-CG1 3.4Å; N53-I57 PolarHBondContact O-N 3.11Å
54	E	47	Very low	48.7	Very low	113 Å²	113	103.8 Å²	103.8	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-58.5	-40.4	174.9	-77.7	-178.1	150.7	0	0	111.3	I50 I51 H56 I57 L58	I50-E54 PolarHBondContact O-N 3.36Å; I51-E54 PolarHBondContact O-N 3.42Å; E54-H56 VanDerWaalsContact C-N 3.34Å; E54-H56 PolarHBondContact O-N 3.22Å; E54-I57 PolarHBondContact O-N 2.96Å; E54-L58 WeakPolarHBondContact O-CB 3.18Å; E54-L58 VanDerWaalsContact O-CG 3.25Å; E54-L58 WeakPolarHBondContact O-CG 3.46Å; E54-L58 PolarHBondContact O-N 3.22Å
55	S	45	Very low	49.3	Very low	71 Å²	71	98.9 Å²	98.9	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-38.1	177.2	80.3	0	0	0	0	113	I51 D52 N53 S59	I51-S55 PolarHBondContact O-N 3.24Å; D52-S55 PolarHBondContact O-N 3.47Å; D52-S55 PolarHBondContact O-OG 2.64Å; N53-S55 VanDerWaalsContact C-N 3.27Å; N53-S55 PolarHBondContact O-N 3.42Å; S55-S59 PolarHBondContact O-N 3.24Å; S55-S59 VanDerWaalsContact O-N 3.11Å
56	H	55.1	Low	50.3	Low	112 Å²	112	93.8 Å²	93.8	52%	0.519	49%	0.491	S	S	.	.	H	α-helix	trans	-70.3	-44.6	177.2	-148.6	-78.1	0	0	0	111	D52 N53 E54 L58 S59 E60	D52-H56 PolarHBondContact O-N 2.97Å; N53-H56 PolarHBondContact O-N 3.46Å; E54-H56 VanDerWaalsContact C-N 3.34Å; E54-H56 PolarHBondContact O-N 3.22Å; H56-L58 PolarHBondContact O-N 2.85Å; H56-S59 WeakPolarHBondContact O-CB 3.37Å; H56-S59 PolarHBondContact O-N 3.18Å; H56-S59 VanDerWaalsContact O-N 3.13Å; H56-S59 PolarHBondContact O-OG 2.88Å; H56-E60 IonicContact CE1-OE1 2.7Å; H56-E60 PolarHBondContact CE1-OE1 3.29Å; H56-E60 IonicContact ND1-OE1 3.71Å; H56-E60 PolarHBondContact ND1-OE1 3.09Å; H56-E60 PolarHBondContact O-N 2.97Å
57	I	53	Low	51.2	Low	92 Å²	92	96.5 Å²	96.5	47%	0.472	50%	0.498	S	S	.	.	H	α-helix	trans	-60.2	-43.5	176.6	-69.9	166	0	0	0	111.1	N53 E54 S59 E60 H61	N53-I57 WeakPolarHBondContact O-CB 3.34Å; N53-I57 VanDerWaalsContact O-CG1 3.28Å; N53-I57 WeakPolarHBondContact O-CG1 3.4Å; N53-I57 PolarHBondContact O-N 3.11Å; E54-I57 PolarHBondContact O-N 2.96Å; I57-S59 VanDerWaalsContact C-N 3.33Å; I57-S59 PolarHBondContact O-N 3.45Å; I57-E60 PolarHBondContact O-N 2.66Å; I57-H61 WeakPolarHBondContact O-CB 3.35Å; I57-H61 PolarHBondContact O-CD2 3.47Å; I57-H61 PolarHBondContact O-N 3.19Å
58	L	51.2	Low	52.3	Low	120 Å²	120	94.6 Å²	94.6	63%	0.628	50%	0.496	S	S	*	.	H	α-helix	trans	-64	-36.8	175.1	-73.3	168.1	0	0	0	112.1	E54 H56 S62	E54-L58 WeakPolarHBondContact O-CB 3.18Å; E54-L58 VanDerWaalsContact O-CG 3.25Å; E54-L58 WeakPolarHBondContact O-CG 3.46Å; E54-L58 PolarHBondContact O-N 3.22Å; H56-L58 PolarHBondContact O-N 2.85Å; L58-S62 WeakPolarHBondContact O-CB 3.35Å; L58-S62 PolarHBondContact O-N 3.32Å
59	S	55.3	Low	53.3	Low	48 Å²	48	97.4 Å²	97.4	34%	0.336	50%	0.5	S	S	.	.	H	α-helix	trans	-67.3	-39.5	175.4	84.6	0	0	0	0	112.5	S55 H56 I57 S62 Q63	S55-S59 PolarHBondContact O-N 3.24Å; S55-S59 VanDerWaalsContact O-N 3.11Å; H56-S59 WeakPolarHBondContact O-CB 3.37Å; H56-S59 PolarHBondContact O-N 3.18Å; H56-S59 VanDerWaalsContact O-N 3.13Å; H56-S59 PolarHBondContact O-OG 2.88Å; I57-S59 VanDerWaalsContact C-N 3.33Å; I57-S59 PolarHBondContact O-N 3.45Å; S59-S62 PolarHBondContact O-N 3.27Å; S59-Q63 WeakPolarHBondContact O-CG 3.4Å; S59-Q63 PolarHBondContact O-N 3.34Å
60	E	60.4	Low	54.1	Low	68 Å²	68	96.3 Å²	96.3	32%	0.318	50%	0.497	S	S	.	.	H	α-helix	trans	-70.7	-42.3	177.1	-73.8	178.7	-162.3	0	0	111.4	H56 I57 S62 Q63 Q64	H56-E60 IonicContact CE1-OE1 2.7Å; H56-E60 PolarHBondContact CE1-OE1 3.29Å; H56-E60 IonicContact ND1-OE1 3.71Å; H56-E60 PolarHBondContact ND1-OE1 3.09Å; H56-E60 PolarHBondContact O-N 2.97Å; I57-E60 PolarHBondContact O-N 2.66Å; E60-S62 VanDerWaalsContact C-N 3.29Å; E60-S62 PolarHBondContact O-N 3.21Å; E60-Q63 PolarHBondContact O-N 3.31Å; E60-Q64 WeakPolarHBondContact O-CB 3.33Å; E60-Q64 WeakPolarHBondContact O-CG 3.44Å; E60-Q64 PolarHBondContact O-N 3.19Å
61	H	57.1	Low	54.9	Low	118 Å²	118	99 Å²	99	55%	0.546	51%	0.506	S	S	.	.	H	α-helix	trans	-60.3	-37.3	171.2	-92.1	-75.1	0	0	0	112.4	I57 S65	I57-H61 WeakPolarHBondContact O-CB 3.35Å; I57-H61 PolarHBondContact O-CD2 3.47Å; I57-H61 PolarHBondContact O-N 3.19Å; H61-S65 WeakPolarHBondContact O-CB 3.49Å; H61-S65 PolarHBondContact O-N 3.12Å
62	S	54.8	Low	55.1	Low	70 Å²	70	97.2 Å²	97.2	49%	0.49	50%	0.502	S	S	.	.	H	α-helix	trans	-65.4	-43.7	175.1	-171.1	0	0	0	0	112	L58 S59 E60 T66	L58-S62 WeakPolarHBondContact O-CB 3.35Å; L58-S62 PolarHBondContact O-N 3.32Å; S59-S62 PolarHBondContact O-N 3.27Å; E60-S62 VanDerWaalsContact C-N 3.29Å; E60-S62 PolarHBondContact O-N 3.21Å; S62-T66 WeakPolarHBondContact O-CB 3.37Å; S62-T66 PolarHBondContact O-N 3.39Å; S62-T66 PolarHBondContact O-OG1 3.33Å
63	Q	60.3	Low	55.8	Low	129 Å²	129	100 Å²	100	60%	0.603	51%	0.51	S	S	*	.	H	α-helix	trans	-66.2	-43.6	175.6	-70.7	-179	21.3	0	0	112.2	S59 E60 T66 Q67	S59-Q63 WeakPolarHBondContact O-CG 3.4Å; S59-Q63 PolarHBondContact O-N 3.34Å; E60-Q63 PolarHBondContact O-N 3.31Å; Q63-T66 WeakPolarHBondContact O-CB 3.36Å; Q63-T66 PolarHBondContact O-N 3.24Å; Q63-Q67 PolarHBondContact O-N 3.25Å
64	Q	53.6	Low	55.9	Low	105 Å²	105	97.3 Å²	97.3	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-63.2	-46.1	174.9	-73.6	-178.3	6.8	0	0	111.5	E60 T66 Q67 I68	E60-Q64 WeakPolarHBondContact O-CB 3.33Å; E60-Q64 WeakPolarHBondContact O-CG 3.44Å; E60-Q64 PolarHBondContact O-N 3.19Å; Q64-T66 PolarHBondContact O-N 3.4Å; Q64-Q67 PolarHBondContact O-N 3.04Å; Q64-Q67 VanDerWaalsContact O-N 3.15Å; Q64-I68 WeakPolarHBondContact O-CB 3.35Å; Q64-I68 VanDerWaalsContact O-CG1 3.24Å; Q64-I68 WeakPolarHBondContact O-CG1 3.49Å; Q64-I68 PolarHBondContact O-N 3.45Å
65	S	52.7	Low	56	Low	53 Å²	53	95.1 Å²	95.1	37%	0.371	49%	0.493	S	S	.	.	H	α-helix	trans	-59.4	-35	175.1	-170.6	0	0	0	0	111.7	H61 K69	H61-S65 WeakPolarHBondContact O-CB 3.49Å; H61-S65 PolarHBondContact O-N 3.12Å; S65-K69 WeakPolarHBondContact O-CB 3.38Å; S65-K69 VanDerWaalsContact O-CG 3.28Å; S65-K69 WeakPolarHBondContact O-CG 3.44Å; S65-K69 PolarHBondContact O-N 3.18Å
66	T	62.8	Low	56	Low	71 Å²	71	97 Å²	97	44%	0.436	50%	0.495	S	S	.	.	H	α-helix	trans	-69.8	-43.5	175	-55.5	0	0	0	0	112	S62 Q63 Q64 K69 Q70	S62-T66 WeakPolarHBondContact O-CB 3.37Å; S62-T66 PolarHBondContact O-N 3.39Å; S62-T66 PolarHBondContact O-OG1 3.33Å; Q63-T66 WeakPolarHBondContact O-CB 3.36Å; Q63-T66 PolarHBondContact O-N 3.24Å; Q64-T66 PolarHBondContact O-N 3.4Å; T66-K69 PolarHBondContact O-N 3.45Å; T66-Q70 WeakPolarHBondContact O-CG 3.33Å; T66-Q70 PolarHBondContact O-N 3.08Å
67	Q	60.9	Low	55.6	Low	112 Å²	112	98.4 Å²	98.4	52%	0.523	50%	0.501	S	S	.	.	H	α-helix	trans	-64.8	-39.7	173.7	-75.6	-170	9.1	0	0	112.3	Q63 Q64 Q70 K71	Q63-Q67 PolarHBondContact O-N 3.25Å; Q64-Q67 PolarHBondContact O-N 3.04Å; Q64-Q67 VanDerWaalsContact O-N 3.15Å; Q67-Q70 PolarHBondContact O-N 3.16Å; Q67-K71 PolarHBondContact O-N 2.72Å
68	I	59.5	Low	55.2	Low	99 Å²	99	98.2 Å²	98.2	51%	0.508	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-48	174.1	-68.2	164.2	0	0	0	109.4	Q64 Q70 K71 S72	Q64-I68 WeakPolarHBondContact O-CB 3.35Å; Q64-I68 VanDerWaalsContact O-CG1 3.24Å; Q64-I68 WeakPolarHBondContact O-CG1 3.49Å; Q64-I68 PolarHBondContact O-N 3.45Å; I68-Q70 PolarHBondContact O-N 3.32Å; I68-K71 PolarHBondContact O-N 2.73Å; I68-S72 WeakPolarHBondContact O-CB 3.47Å; I68-S72 PolarHBondContact O-N 2.9Å; I68-S72 PolarHBondContact O-OG 3.26Å; I68-S72 VanDerWaalsContact O-OG 3.06Å
69	K	61.7	Low	54.9	Low	124 Å²	124	96.1 Å²	96.1	54%	0.539	49%	0.486	S	S	.	.	H	α-helix	trans	-58.8	-32.5	174.3	-77.9	174.1	179.6	177.2	0	113	S65 T66 K73	S65-K69 WeakPolarHBondContact O-CB 3.38Å; S65-K69 VanDerWaalsContact O-CG 3.28Å; S65-K69 WeakPolarHBondContact O-CG 3.44Å; S65-K69 PolarHBondContact O-N 3.18Å; T66-K69 PolarHBondContact O-N 3.45Å; K69-K73 WeakPolarHBondContact O-CG 3.28Å; K69-K73 PolarHBondContact O-N 2.96Å
70	Q	60.3	Low	54.4	Low	130 Å²	130	97.1 Å²	97.1	61%	0.607	49%	0.489	S	S	*	.	H	α-helix	trans	-73.3	-47.6	173.8	-74.4	177.1	-10.3	0	0	112.2	T66 Q67 I68 K73 S74	T66-Q70 WeakPolarHBondContact O-CG 3.33Å; T66-Q70 PolarHBondContact O-N 3.08Å; Q67-Q70 PolarHBondContact O-N 3.16Å; I68-Q70 PolarHBondContact O-N 3.32Å; Q70-K73 WeakPolarHBondContact O-CB 2.83Å; Q70-K73 PolarHBondContact O-N 3.38Å; Q70-S74 PolarHBondContact O-N 3.5Å
71	K	61.4	Low	53.7	Low	143 Å²	143	99.6 Å²	99.6	62%	0.622	50%	0.501	S	S	*	.	H	α-helix	trans	-61.4	-43.7	175.1	-77.3	-171	170.5	-165.9	0	112.2	Q67 I68 K73 S74 V75	Q67-K71 PolarHBondContact O-N 2.72Å; I68-K71 PolarHBondContact O-N 2.73Å; K71-K73 PolarHBondContact O-N 3.46Å; K71-S74 PolarHBondContact O-N 2.73Å; K71-S74 VanDerWaalsContact O-N 3.14Å; K71-S74 PolarHBondContact O-OG 2.78Å; K71-V75 WeakPolarHBondContact O-CB 3.39Å; K71-V75 WeakPolarHBondContact O-CG2 3.47Å; K71-V75 PolarHBondContact O-N 2.8Å
72	S	52.2	Low	52.9	Low	64 Å²	64	101 Å²	101	45%	0.448	51%	0.506	S	S	.	.	H	α-helix	trans	-61	-33.8	175.5	-62.1	0	0	0	0	112	I68 Q76	I68-S72 WeakPolarHBondContact O-CB 3.47Å; I68-S72 PolarHBondContact O-N 2.9Å; I68-S72 PolarHBondContact O-OG 3.26Å; I68-S72 VanDerWaalsContact O-OG 3.06Å; S72-Q76 WeakPolarHBondContact O-CB 3.46Å; S72-Q76 PolarHBondContact O-N 3.35Å
73	K	59	Low	52.3	Low	151 Å²	151	102.1 Å²	102.1	66%	0.657	50%	0.503	S	S	*	.	H	α-helix	trans	-69.7	-40.1	173	-79.2	179.5	177.7	-173.4	0	112.8	K69 Q70 K71 Q76 Q77	K69-K73 WeakPolarHBondContact O-CG 3.28Å; K69-K73 PolarHBondContact O-N 2.96Å; Q70-K73 WeakPolarHBondContact O-CB 2.83Å; Q70-K73 PolarHBondContact O-N 3.38Å; K71-K73 PolarHBondContact O-N 3.46Å; K73-Q76 PolarHBondContact O-N 3.25Å; K73-Q77 WeakPolarHBondContact O-CB 3.48Å; K73-Q77 PolarHBondContact O-N 3.37Å
74	S	51.6	Low	51.5	Low	50 Å²	50	101.4 Å²	101.4	35%	0.35	50%	0.499	S	S	.	.	H	α-helix	trans	-69.5	-42	176.7	67.6	0	0	0	0	111.8	Q70 K71 Q76 Q77 Q78	Q70-S74 PolarHBondContact O-N 3.5Å; K71-S74 PolarHBondContact O-N 2.73Å; K71-S74 VanDerWaalsContact O-N 3.14Å; K71-S74 PolarHBondContact O-OG 2.78Å; S74-Q76 VanDerWaalsContact C-N 3.35Å; S74-Q77 PolarHBondContact O-N 3.21Å; S74-Q78 WeakPolarHBondContact O-CB 3.5Å; S74-Q78 WeakPolarHBondContact O-CG 3.33Å; S74-Q78 PolarHBondContact O-N 2.97Å
75	V	48.6	Very low	51	Low	67 Å²	67	102.2 Å²	102.2	41%	0.406	50%	0.503	S	S	.	.	H	α-helix	trans	-60.5	-44.9	172.8	172.5	0	0	0	0	110.1	K71 Q77 Q78 Q79	K71-V75 WeakPolarHBondContact O-CB 3.39Å; K71-V75 WeakPolarHBondContact O-CG2 3.47Å; K71-V75 PolarHBondContact O-N 2.8Å; V75-Q77 PolarHBondContact O-N 2.67Å; V75-Q78 PolarHBondContact O-N 3.2Å; V75-Q79 VanDerWaalsContact O-CB 3.25Å; V75-Q79 WeakPolarHBondContact O-CB 3.14Å; V75-Q79 PolarHBondContact O-N 3.48Å
76	Q	44.9	Very low	50.4	Low	112 Å²	112	105.8 Å²	105.8	52%	0.523	51%	0.509	S	S	.	.	H	α-helix	trans	-68.4	-31.9	178.9	-168	148.3	38.2	0	0	112.8	S72 K73 S74 T80	S72-Q76 WeakPolarHBondContact O-CB 3.46Å; S72-Q76 PolarHBondContact O-N 3.35Å; K73-Q76 PolarHBondContact O-N 3.25Å; S74-Q76 VanDerWaalsContact C-N 3.35Å; Q76-T80 WeakPolarHBondContact O-CG2 3.43Å; Q76-T80 PolarHBondContact O-N 3.33Å; Q76-T80 VanDerWaalsContact O-N 3.07Å; Q76-T80 PolarHBondContact O-OG1 2.76Å
77	Q	45.6	Very low	49.3	Very low	141 Å²	141	108.4 Å²	108.4	66%	0.659	52%	0.517	S	S	*	.	H	α-helix	trans	-68.5	-40.8	169.9	-88	-176.8	-43.9	0	0	112.8	K73 S74 V75 T80 H81	K73-Q77 WeakPolarHBondContact O-CB 3.48Å; K73-Q77 PolarHBondContact O-N 3.37Å; S74-Q77 PolarHBondContact O-N 3.21Å; V75-Q77 PolarHBondContact O-N 2.67Å; Q77-T80 WeakPolarHBondContact CA-OG1 3.13Å; Q77-T80 PolarHBondContact O-N 3.17Å; Q77-T80 PolarHBondContact O-OG1 2.84Å; Q77-H81 PolarHBondContact O-N 2.6Å
78	Q	45.1	Very low	48.2	Very low	87 Å²	87	108.8 Å²	108.8	41%	0.407	52%	0.519	S	S	.	.	H	α-helix	trans	-68.9	-40	176.5	-75.1	172.4	-20.2	0	0	111.6	S74 V75 T80 H81 F82	S74-Q78 WeakPolarHBondContact O-CB 3.5Å; S74-Q78 WeakPolarHBondContact O-CG 3.33Å; S74-Q78 PolarHBondContact O-N 2.97Å; V75-Q78 PolarHBondContact O-N 3.2Å; Q78-T80 PolarHBondContact O-N 3.5Å; Q78-H81 CarbonylContact O-C 3.57Å; Q78-H81 WeakPolarHBondContact O-CA 3.46Å; Q78-H81 WeakPolarHBondContact O-CB 3.32Å; Q78-H81 PolarHBondContact O-N 2.73Å; Q78-F82 WeakPolarHBondContact O-CB 3.48Å; Q78-F82 PolarHBondContact O-N 3.11Å
79	Q	45.9	Very low	47.2	Very low	77 Å²	77	107.1 Å²	107.1	36%	0.36	53%	0.525	S	S	.	.	H	α-helix	trans	-55.1	-50.6	170.9	-170.9	82.9	31.9	0	0	110.3	V75 H81 F82 E83	V75-Q79 VanDerWaalsContact O-CB 3.25Å; V75-Q79 WeakPolarHBondContact O-CB 3.14Å; V75-Q79 PolarHBondContact O-N 3.48Å; Q79-H81 PolarHBondContact O-N 3.36Å; Q79-F82 PolarHBondContact O-N 3.26Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.38Å; Q79-E83 PolarHBondContact NE2-OE1 3.11Å; Q79-E83 WeakPolarHBondContact O-CB 3.26Å; Q79-E83 WeakPolarHBondContact O-CG 3.33Å; Q79-E83 PolarHBondContact O-N 3.49Å
80	T	44.8	Very low	46.2	Very low	68 Å²	68	108.4 Å²	108.4	42%	0.417	53%	0.533	S	S	.	.	H	α-helix	trans	-64.1	-27	175.5	51.1	0	0	0	0	113.6	Q76 Q77 Q78 H84	Q76-T80 WeakPolarHBondContact O-CG2 3.43Å; Q76-T80 PolarHBondContact O-N 3.33Å; Q76-T80 VanDerWaalsContact O-N 3.07Å; Q76-T80 PolarHBondContact O-OG1 2.76Å; Q77-T80 WeakPolarHBondContact CA-OG1 3.13Å; Q77-T80 PolarHBondContact O-N 3.17Å; Q77-T80 PolarHBondContact O-OG1 2.84Å; Q78-T80 PolarHBondContact O-N 3.5Å; T80-H84 VanDerWaalsContact O-CB 3.3Å; T80-H84 WeakPolarHBondContact O-CB 3.23Å; T80-H84 PolarHBondContact O-CD2 3.22Å; T80-H84 PolarHBondContact O-N 2.98Å
81	H	44.3	Very low	45	Very low	121 Å²	121	108.1 Å²	108.1	56%	0.56	54%	0.535	S	S	*	.	H	α-helix	trans	-76.8	-37.4	176.5	-137.8	-49.1	0	0	0	111.8	Q77 Q78 Q79 H85	Q77-H81 PolarHBondContact O-N 2.6Å; Q78-H81 CarbonylContact O-C 3.57Å; Q78-H81 WeakPolarHBondContact O-CA 3.46Å; Q78-H81 WeakPolarHBondContact O-CB 3.32Å; Q78-H81 PolarHBondContact O-N 2.73Å; Q79-H81 PolarHBondContact O-N 3.36Å; H81-H85 AromaticContact CE1-NE2 3.57Å; H81-H85 AromaticContact ND1-CD2 3.52Å; H81-H85 AromaticContact ND1-NE2 3.35Å; H81-H85 PolarHBondContact ND1-NE2 3.43Å; H81-H85 PolarHBondContact O-CD2 2.93Å; H81-H85 PolarHBondContact O-N 2.98Å; H81-H85 VanDerWaalsContact O-N 3.12Å
82	F	41.4	Very low	43.6	Very low	147 Å²	147	108.3 Å²	108.3	65%	0.645	54%	0.543	S	S	*	.	H	α-helix	trans	-70.2	-42.5	175.4	-137.2	-90.1	0	0	0	110.8	Q78 Q79 H85 Y86	Q78-F82 WeakPolarHBondContact O-CB 3.48Å; Q78-F82 PolarHBondContact O-N 3.11Å; Q79-F82 PolarHBondContact O-N 3.26Å; F82-H85 PolarHBondContact O-N 2.91Å; F82-Y86 HydrophobicContact CD1-CD2 4.1Å; F82-Y86 HydrophobicContact CD1-CE2 4.28Å; F82-Y86 HydrophobicContact CE1-CD2 4.29Å; F82-Y86 HydrophobicContact CE1-CE2 4.02Å; F82-Y86 WeakPolarHBondContact O-CB 3.38Å; F82-Y86 PolarHBondContact O-N 3.2Å
83	E	42.8	Very low	42.8	Very low	94 Å²	94	110.4 Å²	110.4	44%	0.439	56%	0.557	S	S	.	*	H	α-helix	trans	-65	-41.6	174.3	-73.1	167.9	-178	0	0	111.5	Q79 H85 Y86 E87	Q79-E83 WeakPolarHBondContact CG-OE1 3.38Å; Q79-E83 PolarHBondContact NE2-OE1 3.11Å; Q79-E83 WeakPolarHBondContact O-CB 3.26Å; Q79-E83 WeakPolarHBondContact O-CG 3.33Å; Q79-E83 PolarHBondContact O-N 3.49Å; E83-H85 PolarHBondContact O-N 2.98Å; E83-Y86 PolarHBondContact O-N 3.08Å; E83-E87 PolarHBondContact O-N 2.96Å
84	H	42.3	Very low	41.5	Very low	113 Å²	113	112.2 Å²	112.2	52%	0.523	57%	0.568	S	S	.	*	H	α-helix	trans	-63	-40.2	173.6	-100.8	-72.1	0	0	0	113.2	T80 Y86 E87 E88	T80-H84 VanDerWaalsContact O-CB 3.3Å; T80-H84 WeakPolarHBondContact O-CB 3.23Å; T80-H84 PolarHBondContact O-CD2 3.22Å; T80-H84 PolarHBondContact O-N 2.98Å; H84-Y86 VanDerWaalsContact C-N 3.32Å; H84-E87 PolarHBondContact O-N 3.27Å; H84-E88 WeakPolarHBondContact O-CB 3.45Å; H84-E88 WeakPolarHBondContact O-CG 3.37Å; H84-E88 PolarHBondContact O-N 2.95Å
85	H	43.8	Very low	40.4	Very low	123 Å²	123	118 Å²	118	57%	0.569	59%	0.592	S	S	*	*	H	α-helix	trans	-69.6	-29	174.6	-76.9	-56.7	0	0	0	112.8	H81 F82 E83	H81-H85 AromaticContact CE1-NE2 3.57Å; H81-H85 AromaticContact ND1-CD2 3.52Å; H81-H85 AromaticContact ND1-NE2 3.35Å; H81-H85 PolarHBondContact ND1-NE2 3.43Å; H81-H85 PolarHBondContact O-CD2 2.93Å; H81-H85 PolarHBondContact O-N 2.98Å; H81-H85 VanDerWaalsContact O-N 3.12Å; F82-H85 PolarHBondContact O-N 2.91Å; E83-H85 PolarHBondContact O-N 2.98Å
86	Y	40.5	Very low	39.8	Very low	128 Å²	128	122.9 Å²	122.9	50%	0.502	61%	0.614	S	S	.	*	H	α-helix	trans	-72.1	-39.3	171.7	-108.7	-91.8	0	0	0	113.1	F82 E83 H84 Q641	F82-Y86 HydrophobicContact CD1-CD2 4.1Å; F82-Y86 HydrophobicContact CD1-CE2 4.28Å; F82-Y86 HydrophobicContact CE1-CD2 4.29Å; F82-Y86 HydrophobicContact CE1-CE2 4.02Å; F82-Y86 WeakPolarHBondContact O-CB 3.38Å; F82-Y86 PolarHBondContact O-N 3.2Å; E83-Y86 PolarHBondContact O-N 3.08Å; H84-Y86 VanDerWaalsContact C-N 3.32Å; Y86-Q641 VanDerWaalsContact CZ-OE1 3.3Å; Y86-Q641 PolarHBondContact OH-OE1 2.78Å
87	E	38.9	Very low	39.2	Very low	126 Å²	126	124.3 Å²	124.3	59%	0.589	63%	0.625	S	S	*	*	H	α-helix	trans	-76.4	-35.6	179.3	-71.6	-167.2	155.2	0	0	113	E83 H84 G89 H90 L91	E83-E87 PolarHBondContact O-N 2.96Å; H84-E87 PolarHBondContact O-N 3.27Å; E87-G89 VanDerWaalsContact C-N 3.28Å; E87-G89 PolarHBondContact O-N 3.25Å; E87-H90 PolarHBondContact O-N 2.91Å; E87-H90 VanDerWaalsContact O-N 3.08Å; E87-L91 WeakPolarHBondContact O-CG 3.25Å; E87-L91 PolarHBondContact O-N 3.44Å
88	E	37.8	Very low	38.8	Very low	120 Å²	120	122.3 Å²	122.3	56%	0.561	62%	0.624	S	S	*	*	H	α-helix	trans	-66.7	-28.6	175.8	-74.1	-171.1	165.4	0	0	112.7	H84 H90	H84-E88 WeakPolarHBondContact O-CB 3.45Å; H84-E88 WeakPolarHBondContact O-CG 3.37Å; H84-E88 PolarHBondContact O-N 2.95Å; E88-H90 VanDerWaalsContact C-N 3.29Å; E88-H90 PolarHBondContact O-N 2.9Å
89	G	38.2	Very low	38.1	Very low	63 Å²	63	123 Å²	123	65%	0.649	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-21.1	170.9	0	0	0	0	0	114.5	E87	E87-G89 VanDerWaalsContact C-N 3.28Å; E87-G89 PolarHBondContact O-N 3.25Å
90	H	40.4	Very low	37.5	Very low	151 Å²	151	124.5 Å²	124.5	70%	0.699	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-10.9	-177	-119.8	39.3	0	0	0	114.1	E87 E88	E87-H90 PolarHBondContact O-N 2.91Å; E87-H90 VanDerWaalsContact O-N 3.08Å; E88-H90 VanDerWaalsContact C-N 3.29Å; E88-H90 PolarHBondContact O-N 2.9Å
91	L	35.4	Very low	37	Very low	125 Å²	125	127.1 Å²	127.1	65%	0.654	67%	0.674	S	S	*	*	S	Bend	trans	-94.5	-6.9	-174.3	-77.6	165.5	0	0	0	115.4	E87 S93	E87-L91 WeakPolarHBondContact O-CG 3.25Å; E87-L91 PolarHBondContact O-N 3.44Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 2.89Å
92	N	32.6	Very low	36.2	Very low	146 Å²	146	127.6 Å²	127.6	78%	0.781	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	9	-178	-87.6	-36	0	0	0	115.8
93	S	34.8	Very low	35.6	Very low	108 Å²	108	125.6 Å²	125.6	76%	0.755	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	34.1	176.7	-158	0	0	0	0	114	L91	L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 2.89Å
94	Q	32.2	Very low	35	Very low	190 Å²	190	130.4 Å²	130.4	89%	0.888	71%	0.709	S	S	*	*			trans	-160.7	61.8	168.2	-121.3	163.8	78.9	0	0	114.7
95	M	29	Very low	34.2	Very low	170 Å²	170	131.2 Å²	131.2	84%	0.837	73%	0.726	S	S	*	*			trans	-100	93.3	172.8	-94.4	-153.4	168.6	0	0	113.6
96	I	34.4	Very low	33.5	Very low	171 Å²	171	131.3 Å²	131.3	88%	0.877	74%	0.739	S	S	*	*			trans	-136.6	113.1	148.5	-57.9	-176.3	0	0	0	109.2
97	N	32.6	Very low	32.8	Very low	142 Å²	142	129 Å²	129	76%	0.759	75%	0.754	S	S	*	*			trans	-96.3	177.1	176.6	-125.5	-28.8	0	0	0	109.1
98	P	37.2	Very low	32.3	Very low	98 Å²	98	129.5 Å²	129.5	64%	0.636	77%	0.765	S	S	*	*			cis	-142.3	-178.4	-8.5	39.9	-20.3	0	0	0	116.8
99	S	31.9	Very low	31.9	Very low	101 Å²	101	131.4 Å²	131.4	71%	0.706	77%	0.767	S	S	*	*			trans	99.5	125.6	134.7	76.1	0	0	0	0	123.1
100	S	31.9	Very low	31.4	Very low	109 Å²	109	138.2 Å²	138.2	76%	0.762	78%	0.779	S	S	*	*			trans	94.9	129.9	144.3	76	0	0	0	0	122.1
101	T	34	Very low	30.9	Very low	124 Å²	124	137.4 Å²	137.4	76%	0.761	78%	0.78	S	S	*	*			trans	70.6	88.5	155.7	26.7	0	0	0	0	121.2
102	T	28.2	Very low	30.7	Very low	131 Å²	131	137.8 Å²	137.8	80%	0.804	78%	0.783	S	S	*	*				24.4	121.9	126.1	57	0	0	0	0	120
103	S	28.6	Very low	30.5	Very low	104 Å²	104	140.2 Å²	140.2	73%	0.727	79%	0.787	S	S	*	*				141.4	132.9	119.4	-161.8	0	0	0	0	114.7
104	K	31.3	Very low	30.2	Very low	196 Å²	196	138.4 Å²	138.4	85%	0.852	79%	0.785	S	S	*	*			trans	74.3	132	162.7	-70.5	166.4	-178.4	178.5	0	120.2
105	C	25	Very low	30	Very low	130 Å²	130	137.6 Å²	137.6	88%	0.878	78%	0.781	S	S	*	*			trans	-58	135.7	166.6	-47.5	0	0	0	0	112.6
106	C	28.3	Very low	30.2	Very low	125 Å²	125	137.7 Å²	137.7	85%	0.845	78%	0.784	S	S	*	*			trans	-163.8	142	135.5	-128.3	0	0	0	0	110.1
107	G	27	Very low	30	Very low	78 Å²	78	135.7 Å²	135.7	80%	0.804	78%	0.775	S	S	*	*			trans	-72.6	150.7	178	0	0	0	0	0	112.5
108	V	28.7	Very low	30.1	Very low	138 Å²	138	135.8 Å²	135.8	84%	0.836	78%	0.781	S	S	*	*			trans	-102.7	115	176.9	179.3	0	0	0	0	110.2
109	R	28.7	Very low	29.8	Very low	159 Å²	159	142 Å²	142	60%	0.6	79%	0.792	S	S	*	*			trans	-71.5	134.7	164.1	-76.3	173.4	165.8	153.8	-4.4	109.5	N111	R109-N111 PolarHBondContact O-N 3.47Å
110	F	26.4	Very low	29.9	Very low	206 Å²	206	142.4 Å²	142.4	90%	0.904	79%	0.794	S	S	*	*			trans	-64.4	128	153.7	-88.1	-94.9	0	0	0	109.7
111	N	31.9	Very low	29.9	Very low	134 Å²	134	145.1 Å²	145.1	72%	0.717	79%	0.793	S	S	*	*			trans	-161.9	99.1	161	-108.6	-29.5	0	0	0	112.5	R109	R109-N111 PolarHBondContact O-N 3.47Å
112	N	30.4	Very low	29.9	Very low	133 Å²	133	145.7 Å²	145.7	71%	0.711	79%	0.791	S	S	*	*				63.8	136.6	122.6	-114.6	-18	0	0	0	122.9
113	F	28.6	Very low	30	Very low	198 Å²	198	143.5 Å²	143.5	87%	0.868	79%	0.786	S	S	*	*			trans	73.2	124	159.9	-83.7	-87.9	0	0	0	121.9
114	G	27.7	Very low	30.2	Very low	69 Å²	69	142.4 Å²	142.4	71%	0.711	79%	0.791	S	S	*	*				131.3	98.5	122.1	0	0	0	0	0	118.3
115	H	28.7	Very low	30.3	Very low	174 Å²	174	137 Å²	137	81%	0.806	78%	0.784	S	S	*	*			trans	29.6	128.7	150.4	-92.5	-62.6	0	0	0	121.2
116	L	33.7	Very low	30.6	Very low	172 Å²	172	137.8 Å²	137.8	90%	0.901	78%	0.779	S	S	*	*				-167	152.9	114.2	-101.4	156.1	0	0	0	112.6
117	N	28.9	Very low	31	Very low	129 Å²	129	138.7 Å²	138.7	69%	0.69	78%	0.776	S	S	*	*			trans	-86.7	155.5	-171.9	-67.2	-53.4	0	0	0	113.9
118	T	34.5	Very low	31.1	Very low	143 Å²	143	142.4 Å²	142.4	88%	0.877	77%	0.772	S	S	*	*			trans	-159.6	101	130.6	34.8	0	0	0	0	114.4
119	R	30.7	Very low	31.3	Very low	229 Å²	229	142.6 Å²	142.6	86%	0.864	78%	0.778	S	S	*	*			trans	18.3	132.9	140.8	-60.9	176.2	173.8	176.9	-3.5	122.4
120	S	35.4	Very low	31.2	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	78%	0.78	S	S	*	*				-163	121.9	98.8	62.5	0	0	0	0	111
121	F	30.8	Very low	31.4	Very low	166 Å²	166	142.2 Å²	142.2	73%	0.728	78%	0.783	S	S	*	*				54.5	135	108.2	-81.4	-105.2	0	0	0	115.8
122	D	33.3	Very low	31.1	Very low	136 Å²	136	144.8 Å²	144.8	73%	0.727	78%	0.782	S	S	*	*			cis	-175.2	172.4	-7.2	-115	18.4	0	0	0	107.7
123	A	31.7	Very low	31	Very low	85 Å²	85	144.5 Å²	144.5	70%	0.702	78%	0.78	S	S	*	*			cis	-169.2	153.8	-14.3	0	0	0	0	0	111.4
124	G	33.1	Very low	31.2	Very low	81 Å²	81	143.6 Å²	143.6	84%	0.835	78%	0.779	S	S	*	*			trans	80.3	162.1	159.2	0	0	0	0	0	118.5
125	A	32.6	Very low	31.1	Very low	84 Å²	84	147.7 Å²	147.7	69%	0.694	78%	0.779	S	S	*	*			cis	-168.2	149	-17.8	0	0	0	0	0	110.2
126	N	31.6	Very low	31.4	Very low	146 Å²	146	148.5 Å²	148.5	78%	0.781	78%	0.783	S	S	*	*			trans	65.9	154.8	158.8	-57	4.3	0	0	0	117.2
127	D	36.4	Very low	31	Very low	144 Å²	144	151.7 Å²	151.7	77%	0.77	78%	0.783	S	S	*	*			cis	-143.2	173.2	14.1	-116.4	-32.4	0	0	0	113.9
128	E	29.1	Very low	31.1	Very low	156 Å²	156	149 Å²	149	73%	0.729	79%	0.786	S	S	*	*			trans	-71.8	152.9	-173.1	-54.9	178.9	113.6	0	0	116.1
129	C	32.5	Very low	31.1	Very low	142 Å²	142	148.3 Å²	148.3	96%	0.959	79%	0.787	S	S	*	*				-150.5	132.8	129	-110.5	0	0	0	0	112.3
130	Q	27	Very low	30.9	Very low	138 Å²	138	144.8 Å²	144.8	65%	0.645	79%	0.785	S	S	*	*			trans	-119.8	132.4	-167.3	-176.9	-175.4	94.2	0	0	109.3
131	F	29.9	Very low	30.8	Very low	218 Å²	218	147.4 Å²	147.4	96%	0.956	79%	0.79	S	S	*	*			trans	-134	143.4	161.5	-113.7	-87.9	0	0	0	110.7
132	R	27.4	Very low	30.7	Very low	188 Å²	188	145.2 Å²	145.2	71%	0.709	79%	0.79	S	S	*	*			trans	-125.1	148.9	-152.2	-122.2	-174.8	167.6	-173.1	-0.7	111.7
133	L	28.1	Very low	30.6	Very low	128 Å²	128	146.1 Å²	146.1	67%	0.67	79%	0.794	S	S	*	*			trans	64.8	125.8	149.9	-63.4	163.1	0	0	0	119
134	E	31.3	Very low	30.5	Very low	179 Å²	179	150.1 Å²	150.1	84%	0.836	80%	0.798	S	S	*	*				-156.3	140.5	95.8	-88.2	-96	115.5	0	0	108.8
135	E	25.8	Very low	30.2	Very low	155 Å²	155	154.8 Å²	154.8	72%	0.724	80%	0.798	S	S	*	*			trans	-91.8	139.5	177.6	-71.5	-177.4	103.1	0	0	111.1
136	H	34.9	Very low	30.2	Very low	190 Å²	190	158 Å²	158	88%	0.88	80%	0.802	S	S	*	*			trans	-138.8	130.3	148.8	-97.7	-69.1	0	0	0	112.2
137	R	27	Very low	30.2	Very low	239 Å²	239	157.1 Å²	157.1	90%	0.902	80%	0.802	S	S	*	*			trans	-77.5	144.5	-171.9	-62.1	171.2	171.2	-177	-4.2	112.5
138	G	29.7	Very low	29.9	Very low	73 Å²	73	153 Å²	153	75%	0.753	79%	0.794	S	S	*	*			trans	-175.2	101.4	166.5	0	0	0	0	0	115.3
139	S	35.5	Very low	30	Very low	128 Å²	128	157.8 Å²	157.8	90%	0.895	81%	0.805	S	S	*	*			trans	65.8	85.8	157.6	-55.5	0	0	0	0	119.2
140	N	26.9	Very low	30.5	Very low	155 Å²	155	162.2 Å²	162.2	83%	0.829	80%	0.802	S	S	*	*			trans	-68.6	134.1	158.8	-75.2	-44	0	0	0	111.7
141	L	32.4	Very low	30.8	Very low	164 Å²	164	158.9 Å²	158.9	86%	0.859	80%	0.804	S	S	*	*			trans	-127.5	82.9	156.3	-107.1	166.9	0	0	0	109	L143	L141-L143 PolarHBondContact O-N 2.93Å
142	V	27.9	Very low	31.2	Very low	121 Å²	121	151.9 Å²	151.9	73%	0.733	78%	0.782	S	S	*	*			trans	-80.8	108.5	170.6	175.4	0	0	0	0	107.5
143	L	31.9	Very low	31.9	Very low	155 Å²	155	152.8 Å²	152.8	81%	0.812	79%	0.791	S	S	*	*			trans	-88.6	134.2	166.9	-137.6	85.6	0	0	0	110.2	L141	L141-L143 PolarHBondContact O-N 2.93Å
144	Q	30	Very low	32.5	Very low	168 Å²	168	152.8 Å²	152.8	79%	0.785	79%	0.791	S	S	*	*			trans	-74.3	152.6	-165.8	-67.6	163.6	-44.4	0	0	113.5	I146	Q144-I146 PolarHBondContact O-N 2.82Å; Q144-I146 VanDerWaalsContact O-N 3.13Å
145	H	27.1	Very low	32.6	Very low	179 Å²	179	154.4 Å²	154.4	83%	0.829	79%	0.792	S	S	*	*			trans	-28.4	107.2	157.5	-125.5	-104.8	0	0	0	113.5
146	I	32.9	Very low	33.2	Very low	152 Å²	152	158.7 Å²	158.7	78%	0.779	80%	0.801	S	S	*	*			trans	-109	99	163	-63.9	179.9	0	0	0	108.5	Q144 G148	Q144-I146 PolarHBondContact O-N 2.82Å; Q144-I146 VanDerWaalsContact O-N 3.13Å; I146-G148 VanDerWaalsContact C-N 3.35Å; I146-G148 PolarHBondContact O-N 2.93Å
147	T	30.2	Very low	33.2	Very low	128 Å²	128	158.3 Å²	158.3	79%	0.785	80%	0.8	S	S	*	*			trans	-74.3	86.1	171	49.4	0	0	0	0	109.8
148	G	30.8	Very low	33.4	Very low	58 Å²	58	156.3 Å²	156.3	60%	0.598	80%	0.801	S	S	*	*			trans	-139.9	82.2	-177.1	0	0	0	0	0	112.4	I146 R150	I146-G148 VanDerWaalsContact C-N 3.35Å; I146-G148 PolarHBondContact O-N 2.93Å; G148-R150 PolarHBondContact O-N 2.9Å
149	R	30.9	Very low	33.9	Very low	255 Å²	255	159 Å²	159	96%	0.962	80%	0.802	S	S	*	*			trans	-68.9	90.7	-178.2	-163	-176	-159.9	-167.8	7.1	110.9	G151	R149-G151 PolarHBondContact O-N 2.99Å
150	R	42.6	Very low	33.7	Very low	236 Å²	236	160.5 Å²	160.5	89%	0.891	80%	0.8	S	S	*	*			trans	-69.9	115.5	179.2	-155.4	177.3	-169.8	-145.8	2.7	110.1	G148	G148-R150 PolarHBondContact O-N 2.9Å
151	G	33.8	Very low	34.1	Very low	67 Å²	67	159.1 Å²	159.1	69%	0.691	80%	0.803	S	S	*	*			trans	-66.4	154.2	-177.7	0	0	0	0	0	113.7	R149	R149-G151 PolarHBondContact O-N 2.99Å
152	S	38.4	Very low	34.2	Very low	72 Å²	72	155 Å²	155	50%	0.503	80%	0.801	S	S	.	*			trans	-65.2	140.2	-177.6	58.1	0	0	0	0	113.2	L154	S152-L154 PolarHBondContact O-N 3.13Å
153	F	43	Very low	34.2	Very low	206 Å²	206	157.5 Å²	157.5	90%	0.904	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	19.2	-174.1	-142.1	-95.4	0	0	0	116.3
154	L	39.9	Very low	34.4	Very low	128 Å²	128	155.7 Å²	155.7	67%	0.67	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.5	-9	-167.3	-92.1	165.8	0	0	0	116.4	S152	S152-L154 PolarHBondContact O-N 3.13Å
155	Y	33.2	Very low	34.5	Very low	214 Å²	214	156.7 Å²	156.7	84%	0.839	80%	0.802	S	S	*	*			trans	-153.7	123.5	171.7	-92.7	-86.3	0	0	0	109
156	R	37.9	Very low	35	Very low	245 Å²	245	159.8 Å²	159.8	93%	0.925	81%	0.808	S	S	*	*			trans	-121.9	117.3	169.8	-160.3	173.7	-168.4	169.8	1.5	108.2	E158	R156-E158 PolarHBondContact O-N 3.47Å
157	Q	35.1	Very low	35	Very low	182 Å²	182	157.3 Å²	157.3	85%	0.85	80%	0.804	S	S	*	*			trans	-65.9	130.4	178.2	-77.8	171.5	-66.4	0	0	110.3	T159	Q157-T159 PolarHBondContact O-N 3.19Å
158	E	30.5	Very low	35.3	Very low	197 Å²	197	156.4 Å²	156.4	92%	0.921	80%	0.803	S	S	*	*			trans	-72.4	119.5	163.3	-64.7	-173.6	158.1	0	0	109.2	R156	R156-E158 PolarHBondContact O-N 3.47Å
159	T	40.6	Very low	35.6	Very low	129 Å²	129	164 Å²	164	79%	0.791	81%	0.814	S	S	*	*			trans	-118.8	116	165.6	53.7	0	0	0	0	108.7	Q157	Q157-T159 PolarHBondContact O-N 3.19Å
160	N	31.9	Very low	35.9	Very low	159 Å²	159	159.7 Å²	159.7	85%	0.85	80%	0.804	S	S	*	*			trans	-60.4	163	-179.1	-98.4	-39.7	0	0	0	114.2
161	S	35.2	Very low	35.5	Very low	127 Å²	127	156.9 Å²	156.9	89%	0.888	80%	0.801	S	S	*	*			trans	85	133.3	162.3	78.3	0	0	0	0	119.2
162	G	33.9	Very low	35.3	Very low	78 Å²	78	158.7 Å²	158.7	80%	0.804	80%	0.803	S	S	*	*			trans	125.8	80.5	160.7	0	0	0	0	0	116.4
163	H	29.3	Very low	35.2	Very low	173 Å²	173	162.1 Å²	162.1	80%	0.801	81%	0.814	S	S	*	*			trans	-63.4	137.6	165.4	-85.7	-70	0	0	0	112.1	Y165	H163-Y165 AromaticContact ND1-CE2 3.92Å
164	S	36.2	Very low	34.6	Very low	117 Å²	117	158.6 Å²	158.6	82%	0.818	81%	0.81	S	S	*	*			trans	-150.7	131.1	131.2	66.8	0	0	0	0	111.4
165	Y	30.9	Very low	34	Very low	189 Å²	189	156 Å²	156	74%	0.741	81%	0.814	S	S	*	*			trans	-88.9	143.6	170.9	-76.7	-99.7	0	0	0	109.3	H163	H163-Y165 AromaticContact ND1-CE2 3.92Å
166	Y	38	Very low	33.9	Very low	243 Å²	243	151.3 Å²	151.3	95%	0.953	80%	0.804	S	S	*	*			trans	-147.9	153.4	137.2	-90	-65	0	0	0	110.7
167	S	33.2	Very low	33.5	Very low	100 Å²	100	149.2 Å²	149.2	70%	0.699	81%	0.805	S	S	*	*			trans	-133	146.8	-153	146.7	0	0	0	0	112.5
168	S	36.9	Very low	33.6	Very low	110 Å²	110	145.8 Å²	145.8	77%	0.769	80%	0.796	S	S	*	*			trans	172	154.9	138.4	46.3	0	0	0	0	111.5
169	R	36.2	Very low	33.7	Very low	218 Å²	218	141.9 Å²	141.9	82%	0.823	79%	0.786	S	S	*	*			cis	-165.2	173.4	-24.6	-110.9	178.9	-176.4	-177.6	0.4	107.8
170	H	36.7	Very low	33.2	Very low	163 Å²	163	146.9 Å²	146.9	76%	0.755	79%	0.79	S	S	*	*			trans	76.9	108.1	-176.4	-60.6	-93.7	0	0	0	113.8
171	E	33.8	Very low	33.3	Very low	177 Å²	177	149.2 Å²	149.2	83%	0.827	79%	0.789	S	S	*	*				62.9	127.2	50.3	-56.5	179.3	166.5	0	0	112.4
172	S	31.4	Very low	33.2	Very low	106 Å²	106	152.2 Å²	152.2	74%	0.741	79%	0.788	S	S	*	*			cis	-162.6	-174.4	-1.2	57	0	0	0	0	108.3
173	I	34.5	Very low	33.3	Very low	143 Å²	143	155 Å²	155	73%	0.733	78%	0.783	S	S	*	*			cis	-159.8	167.6	12.3	-151.8	168.1	0	0	0	110.9
174	T	30.6	Very low	33.7	Very low	132 Å²	132	154.1 Å²	154.1	81%	0.81	79%	0.785	S	S	*	*			trans	48.1	117	167.4	55.9	0	0	0	0	120.9
175	G	28.4	Very low	34.4	Very low	74 Å²	74	156.6 Å²	156.6	76%	0.763	78%	0.783	S	S	*	*			trans	149	93	154.3	0	0	0	0	0	116.4
176	D	30.1	Very low	35.8	Very low	116 Å²	116	152 Å²	152	62%	0.62	78%	0.777	S	S	*	*			trans	66.2	119.9	158.1	-148.2	-32.1	0	0	0	119.5	T178	D176-T178 VanDerWaalsContact C-N 3.26Å; D176-T178 PolarHBondContact O-N 3.44Å; D176-T178 WeakPolarHBondContact OD1-CB 3.38Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.28Å; D176-T178 PolarHBondContact OD1-N 2.74Å; D176-T178 PolarHBondContact OD1-OG1 3.36Å
177	E	30.7	Very low	36.6	Very low	201 Å²	201	146.5 Å²	146.5	94%	0.939	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	5.6	-178.5	-71	-172.7	120.5	0	0	114.1
178	T	36.2	Very low	38.3	Very low	110 Å²	110	144.3 Å²	144.3	68%	0.675	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-3.8	-172.5	48.7	0	0	0	0	116.2	D176	D176-T178 VanDerWaalsContact C-N 3.26Å; D176-T178 PolarHBondContact O-N 3.44Å; D176-T178 WeakPolarHBondContact OD1-CB 3.38Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.28Å; D176-T178 PolarHBondContact OD1-N 2.74Å; D176-T178 PolarHBondContact OD1-OG1 3.36Å
179	T	34	Very low	40.2	Very low	114 Å²	114	141.2 Å²	141.2	70%	0.699	72%	0.722	S	S	*	*	S	Bend	trans	-102.9	4	-165.1	51.8	0	0	0	0	116.4
180	R	29.6	Very low	42.3	Very low	234 Å²	234	131.8 Å²	131.8	88%	0.883	69%	0.689	S	S	*	*	S	Bend	trans	-100.6	6	-172.7	-136.1	177.7	-168.3	178	4.8	116.8
181	Y	32.8	Very low	44.4	Very low	209 Å²	209	124.8 Å²	124.8	82%	0.82	66%	0.656	S	S	*	*			trans	-109.5	55.7	174.8	-76.4	-81.3	0	0	0	112.2	I183	Y181-I183 HydrophobicContact CD1-CD1 4.47Å; Y181-I183 PolarHBondContact O-N 2.64Å
182	Q	32.8	Very low	46.7	Very low	189 Å²	189	118.2 Å²	118.2	88%	0.883	63%	0.632	S	S	*	*			trans	-99.2	63.5	170.8	-153.4	171.6	22.1	0	0	109.7
183	I	36.3	Very low	49.3	Very low	136 Å²	136	117 Å²	117	70%	0.697	61%	0.614	S	S	*	*			trans	-90.7	109.1	175.8	-61	174.8	0	0	0	107.7	Y181 E185	Y181-I183 HydrophobicContact CD1-CD1 4.47Å; Y181-I183 PolarHBondContact O-N 2.64Å; I183-E185 PolarHBondContact O-N 3.14Å; I183-E185 VanDerWaalsContact O-N 3.08Å
184	D	39.4	Very low	51.7	Low	155 Å²	155	114 Å²	114	83%	0.829	60%	0.599	S	S	*	*			trans	10.4	81.7	166	-63.7	-32	0	0	0	115.8
185	E	50	Low	54.3	Low	169 Å²	169	108.3 Å²	108.3	79%	0.79	56%	0.564	S	S	*	*			trans	-63.9	122.6	171	-167.2	170.8	-163.1	0	0	108.3	I183 I187	I183-E185 PolarHBondContact O-N 3.14Å; I183-E185 VanDerWaalsContact O-N 3.08Å; E185-I187 PolarHBondContact O-N 2.8Å
186	P	60	Low	57.1	Low	94 Å²	94	107.6 Å²	107.6	61%	0.61	55%	0.55	S	S	*	*			trans	-60.7	143.7	-172.2	22.7	-33.1	0	0	0	110.5	V188	P186-V188 HydrophobicContact CG-CG2 4.26Å; P186-V188 WeakPolarHBondContact O-CG2 3.49Å; P186-V188 PolarHBondContact O-N 2.96Å
187	I	55.8	Low	59.9	Low	127 Å²	127	105.4 Å²	105.4	65%	0.651	54%	0.544	S	S	*	.			trans	-71	85	178.2	-57.1	179.7	0	0	0	109	E185 F279	E185-I187 PolarHBondContact O-N 2.8Å; I187-F279 HydrophobicContact CG2-CD1 4.48Å; I187-F279 HydrophobicContact CG2-CE1 3.51Å; I187-F279 HydrophobicContact CG2-CZ 4.1Å
188	V	68.1	Low	62.8	Low	53 Å²	53	98.4 Å²	98.4	32%	0.321	51%	0.513	S	S	.	.			trans	-80.2	137.4	175.3	-176.1	0	0	0	0	109.1	P186 A192 Q193 K278	P186-V188 HydrophobicContact CG-CG2 4.26Å; P186-V188 WeakPolarHBondContact O-CG2 3.49Å; P186-V188 PolarHBondContact O-N 2.96Å; V188-A192 HydrophobicContact CG1-CB 3.56Å; V188-Q193 HydrophobicContact CB-CG 3.73Å; V188-Q193 HydrophobicContact CG1-CG 3.67Å; V188-K278 PolarHBondContact O-NZ 3.43Å
189	T	76.5	Confident	65.3	Low	46 Å²	46	98.6 Å²	98.6	28%	0.282	50%	0.501	S	S	.	.			trans	-60	144	175.3	60.8	0	0	0	0	109.9	F191 A192 Q193 A275	T189-F191 PolarHBondContact O-N 3.41Å; T189-A192 PolarHBondContact O-N 2.72Å; T189-A192 WeakPolarHBondContact OG1-CB 3.38Å; T189-A192 PolarHBondContact OG1-N 3.43Å; T189-Q193 PolarHBondContact O-N 2.72Å; T189-A275 HydrophobicContact CG2-CB 3.95Å
190	P	79.9	Confident	68	Low	20 Å²	20	99.7 Å²	99.7	13%	0.13	50%	0.497	C	S	.	.	H	α-helix	trans	-56.7	-38.4	-176.2	19.2	-28.8	0	0	0	112.1	A192 Q193 I194 M274 K278	P190-A192 PolarHBondContact O-N 3.41Å; P190-Q193 WeakPolarHBondContact O-CB 3.25Å; P190-Q193 PolarHBondContact O-N 3.11Å; P190-I194 VanDerWaalsContact O-CG1 3.3Å; P190-I194 WeakPolarHBondContact O-CG1 3.34Å; P190-I194 PolarHBondContact O-N 3.39Å; P190-M274 HydrophobicContact CB-CG 4.2Å; P190-M274 HydrophobicContact CB-SD 3.8Å; P190-M274 HydrophobicContact CG-CB 4.22Å; P190-M274 HydrophobicContact CG-CG 3.59Å; P190-M274 WeakPolarHBondContact CG-O 3.25Å; P190-M274 HydrophobicContact CG-SD 3.72Å; P190-K278 HydrophobicContact CB-CD 4.02Å; P190-K278 HydrophobicContact CG-CB 4.12Å; P190-K278 HydrophobicContact CG-CD 3.88Å
191	F	81.1	Confident	71	Confident	15 Å²	15	92.1 Å²	92.1	7%	0.066	48%	0.476	C	S	.	.	H	α-helix	trans	-60.5	-44.2	175.1	-171.1	-110.7	0	0	0	113.3	T189 Q193 I194 L195 L262 Q266 V271 M274	T189-F191 PolarHBondContact O-N 3.41Å; F191-Q193 VanDerWaalsContact C-N 3.34Å; F191-Q193 PolarHBondContact O-N 3.22Å; F191-I194 PolarHBondContact O-N 3.2Å; F191-L195 HydrophobicContact CD1-CD1 3.91Å; F191-L195 HydrophobicContact CD1-CG 4.4Å; F191-L195 HydrophobicContact CE1-CD1 3.44Å; F191-L195 VanDerWaalsContact CE1-CD1 3.44Å; F191-L195 HydrophobicContact CE1-CG 4.05Å; F191-L195 HydrophobicContact CZ-CD1 3.96Å; F191-L195 HydrophobicContact CZ-CD2 4.42Å; F191-L195 HydrophobicContact CZ-CG 4.15Å; F191-L195 PolarHBondContact O-N 2.88Å; F191-L262 HydrophobicContact CE2-CD2 4.31Å; F191-L262 HydrophobicContact CZ-CB 4.34Å; F191-L262 WeakPolarHBondContact CZ-O 3.47Å; F191-Q266 HydrophobicContact CE1-CB 4.48Å; F191-V271 HydrophobicContact CB-CG1 3.93Å; F191-V271 HydrophobicContact CB-CG2 4.31Å; F191-V271 HydrophobicContact CD1-CB 4.45Å; F191-V271 HydrophobicContact CD1-CG1 4Å; F191-V271 HydrophobicContact CD1-CG2 3.54Å; F191-V271 HydrophobicContact CD2-CG2 4.36Å; F191-V271 HydrophobicContact CE1-CG2 3.86Å; F191-V271 HydrophobicContact CG-CG1 4.22Å; F191-V271 HydrophobicContact CG-CG2 3.81Å; F191-V271 HydrophobicContact CZ-CG2 4.41Å; F191-M274 HydrophobicContact CB-CE 4.49Å; F191-M274 HydrophobicContact CB-SD 4.02Å; F191-M274 HydrophobicContact CD2-CE 4.16Å
192	A	82.7	Confident	73.8	Confident	39 Å²	39	83.2 Å²	83.2	32%	0.322	44%	0.441	S	S	.	.	H	α-helix	trans	-69.2	-31.5	176.7	0	0	0	0	0	112.4	V188 T189 P190 A196	V188-A192 HydrophobicContact CG1-CB 3.56Å; T189-A192 PolarHBondContact O-N 2.72Å; T189-A192 WeakPolarHBondContact OG1-CB 3.38Å; T189-A192 PolarHBondContact OG1-N 3.43Å; P190-A192 PolarHBondContact O-N 3.41Å; A192-A196 VanDerWaalsContact O-CB 3.3Å; A192-A196 WeakPolarHBondContact O-CB 3.42Å; A192-A196 PolarHBondContact O-N 3.38Å
193	Q	85	Confident	76.6	Confident	80 Å²	80	79.9 Å²	79.9	37%	0.374	42%	0.424	S	S	.	.	H	α-helix	trans	-64.9	-42.7	170.3	-65.1	-176.8	-51.2	0	0	111.5	V188 T189 P190 F191 A196 S197	V188-Q193 HydrophobicContact CB-CG 3.73Å; V188-Q193 HydrophobicContact CG1-CG 3.67Å; T189-Q193 PolarHBondContact O-N 2.72Å; P190-Q193 WeakPolarHBondContact O-CB 3.25Å; P190-Q193 PolarHBondContact O-N 3.11Å; F191-Q193 VanDerWaalsContact C-N 3.34Å; F191-Q193 PolarHBondContact O-N 3.22Å; Q193-A196 PolarHBondContact O-N 2.87Å; Q193-S197 WeakPolarHBondContact O-CB 3.46Å; Q193-S197 PolarHBondContact O-N 2.96Å
194	I	86	Confident	79.3	Confident	81 Å²	81	76.7 Å²	76.7	42%	0.415	41%	0.408	S	S	.	.	H	α-helix	trans	-62.9	-49.6	175.7	-68.6	162.8	0	0	0	110.6	P190 F191 A196 S197 L198 M274	P190-I194 VanDerWaalsContact O-CG1 3.3Å; P190-I194 WeakPolarHBondContact O-CG1 3.34Å; P190-I194 PolarHBondContact O-N 3.39Å; F191-I194 PolarHBondContact O-N 3.2Å; I194-A196 PolarHBondContact O-N 3.39Å; I194-S197 WeakPolarHBondContact O-CB 3.34Å; I194-S197 PolarHBondContact O-N 3.47Å; I194-L198 HydrophobicContact CG2-CD1 3.81Å; I194-L198 HydrophobicContact CG2-CG 4.28Å; I194-L198 WeakPolarHBondContact O-CG 3.47Å; I194-L198 PolarHBondContact O-N 3.4Å; I194-M274 HydrophobicContact CD1-SD 4.32Å
195	L	85.6	Confident	81.8	Confident	13 Å²	13	71.7 Å²	71.7	7%	0.068	38%	0.379	C	S	.	.	H	α-helix	trans	-59.4	-43.2	176.8	-77.5	179.8	0	0	0	112.5	F191 S197 L198 R199 L259 L262 E263	F191-L195 HydrophobicContact CD1-CD1 3.91Å; F191-L195 HydrophobicContact CD1-CG 4.4Å; F191-L195 HydrophobicContact CE1-CD1 3.44Å; F191-L195 VanDerWaalsContact CE1-CD1 3.44Å; F191-L195 HydrophobicContact CE1-CG 4.05Å; F191-L195 HydrophobicContact CZ-CD1 3.96Å; F191-L195 HydrophobicContact CZ-CD2 4.42Å; F191-L195 HydrophobicContact CZ-CG 4.15Å; F191-L195 PolarHBondContact O-N 2.88Å; L195-S197 VanDerWaalsContact C-N 3.34Å; L195-S197 PolarHBondContact O-N 3.02Å; L195-L198 PolarHBondContact O-N 2.92Å; L195-R199 WeakPolarHBondContact O-CB 3.25Å; L195-R199 VanDerWaalsContact O-CG 3.26Å; L195-R199 WeakPolarHBondContact O-CG 3.36Å; L195-R199 PolarHBondContact O-N 3Å; L195-L259 HydrophobicContact CD2-CD2 4.35Å; L195-L262 HydrophobicContact CD2-CB 3.89Å; L195-L262 HydrophobicContact CD2-CD1 4.44Å; L195-E263 HydrophobicContact CD1-CG 4.2Å; L195-E263 HydrophobicContact CD2-CG 4.12Å
196	A	86	Confident	83.7	Confident	58 Å²	58	65.4 Å²	65.4	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-41.2	175.7	0	0	0	0	0	112	A192 Q193 I194 K200	A192-A196 VanDerWaalsContact O-CB 3.3Å; A192-A196 WeakPolarHBondContact O-CB 3.42Å; A192-A196 PolarHBondContact O-N 3.38Å; Q193-A196 PolarHBondContact O-N 2.87Å; I194-A196 PolarHBondContact O-N 3.39Å; A196-K200 PolarHBondContact O-N 2.61Å; A196-K200 VanDerWaalsContact O-N 3.08Å
197	S	90.2	Very high	85.2	Confident	71 Å²	71	66.4 Å²	66.4	50%	0.497	35%	0.35	S	S	.	.	H	α-helix	trans	-63.8	-48.8	175.5	-169.2	0	0	0	0	111.7	Q193 I194 L195 R199 K200 V201	Q193-S197 WeakPolarHBondContact O-CB 3.46Å; Q193-S197 PolarHBondContact O-N 2.96Å; I194-S197 WeakPolarHBondContact O-CB 3.34Å; I194-S197 PolarHBondContact O-N 3.47Å; L195-S197 VanDerWaalsContact C-N 3.34Å; L195-S197 PolarHBondContact O-N 3.02Å; S197-R199 PolarHBondContact O-N 3.34Å; S197-K200 CarbonylContact O-C 3.56Å; S197-K200 WeakPolarHBondContact O-CA 3.34Å; S197-K200 WeakPolarHBondContact O-CB 3.49Å; S197-K200 PolarHBondContact O-N 3.43Å; S197-V201 WeakPolarHBondContact O-CG2 3.49Å; S197-V201 PolarHBondContact O-N 2.95Å
198	L	91	Very high	86.8	Confident	54 Å²	54	67.5 Å²	67.5	28%	0.283	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-37.6	179.2	-68.8	173.2	0	0	0	112.4	I194 L195 K200 V201 R202 L259 L262	I194-L198 HydrophobicContact CG2-CD1 3.81Å; I194-L198 HydrophobicContact CG2-CG 4.28Å; I194-L198 WeakPolarHBondContact O-CG 3.47Å; I194-L198 PolarHBondContact O-N 3.4Å; L195-L198 PolarHBondContact O-N 2.92Å; L198-K200 VanDerWaalsContact C-N 3.33Å; L198-K200 PolarHBondContact O-N 3.47Å; L198-V201 WeakPolarHBondContact O-CB 3.5Å; L198-V201 PolarHBondContact O-N 3.46Å; L198-R202 PolarHBondContact O-N 3.07Å; L198-L259 HydrophobicContact CB-CD2 3.71Å; L198-L259 HydrophobicContact CD1-CD2 4.48Å; L198-L262 HydrophobicContact CD1-CD1 3.73Å
199	R	89.1	Confident	87.8	Confident	113 Å²	113	66.9 Å²	66.9	43%	0.426	35%	0.353	S	S	.	.	H	α-helix	trans	-62.8	-37.5	171.6	-73.4	169.7	175.9	176.8	-7.5	112	L195 S197 R202 F203 L259 E263	L195-R199 WeakPolarHBondContact O-CB 3.25Å; L195-R199 VanDerWaalsContact O-CG 3.26Å; L195-R199 WeakPolarHBondContact O-CG 3.36Å; L195-R199 PolarHBondContact O-N 3Å; S197-R199 PolarHBondContact O-N 3.34Å; R199-R202 PolarHBondContact O-N 3.49Å; R199-F203 PolarHBondContact O-N 2.84Å; R199-L259 HydrophobicContact CG-CD2 4.28Å; R199-E263 IonicContact CZ-OE1 3.86Å; R199-E263 VanDerWaalsContact CZ-OE1 3.22Å; R199-E263 IonicContact NE-OE1 3.49Å; R199-E263 PolarHBondContact NE-OE1 3.16Å; R199-E263 IonicContact NH2-OE1 2.83Å; R199-E263 PolarHBondContact NH2-OE1 2.86Å; R199-E263 IonicContact NH2-OE2 3.56Å; R199-E263 PolarHBondContact NH2-OE2 3.42Å; R199-E263 VanDerWaalsContact NH2-OE2 3.13Å
200	K	90.9	Very high	88.2	Confident	138 Å²	138	71 Å²	71	60%	0.6	37%	0.373	S	S	*	.	H	α-helix	trans	-67.5	-36.9	172.2	-171.7	178.5	-178.9	179.5	0	112.1	A196 S197 L198 F203 N204	A196-K200 PolarHBondContact O-N 2.61Å; A196-K200 VanDerWaalsContact O-N 3.08Å; S197-K200 CarbonylContact O-C 3.56Å; S197-K200 WeakPolarHBondContact O-CA 3.34Å; S197-K200 WeakPolarHBondContact O-CB 3.49Å; S197-K200 PolarHBondContact O-N 3.43Å; L198-K200 VanDerWaalsContact C-N 3.33Å; L198-K200 PolarHBondContact O-N 3.47Å; K200-F203 PolarHBondContact O-N 3Å; K200-N204 WeakPolarHBondContact O-CB 3.3Å; K200-N204 PolarHBondContact O-N 3.45Å
201	V	92.6	Very high	88.5	Confident	74 Å²	74	70.7 Å²	70.7	45%	0.448	37%	0.371	S	S	.	.	H	α-helix	trans	-62.7	-47	172.2	173	0	0	0	0	110.9	S197 L198 F203 N204 F205	S197-V201 WeakPolarHBondContact O-CG2 3.49Å; S197-V201 PolarHBondContact O-N 2.95Å; L198-V201 WeakPolarHBondContact O-CB 3.5Å; L198-V201 PolarHBondContact O-N 3.46Å; V201-F203 PolarHBondContact O-N 2.98Å; V201-N204 PolarHBondContact O-N 3.44Å; V201-F205 WeakPolarHBondContact O-CB 3.3Å; V201-F205 PolarHBondContact O-N 3.44Å
202	R	91.6	Very high	88.3	Confident	23 Å²	23	75.6 Å²	75.6	9%	0.087	40%	0.402	C	S	.	.	H	α-helix	trans	-54.5	-49.4	173.3	179.3	-168.6	170	-99.2	1.5	111.5	L198 R199 N204 F205 I206 S213 D216 L252 L255 E256 L259	L198-R202 PolarHBondContact O-N 3.07Å; R199-R202 PolarHBondContact O-N 3.49Å; R202-N204 PolarHBondContact O-N 2.87Å; R202-F205 WeakPolarHBondContact O-CB 3.49Å; R202-F205 PolarHBondContact O-N 3.35Å; R202-I206 HydrophobicContact CG-CD1 4.08Å; R202-I206 WeakPolarHBondContact O-CG1 3.36Å; R202-I206 PolarHBondContact O-N 3.04Å; R202-S213 VanDerWaalsContact NH2-CB 3.3Å; R202-S213 PolarHBondContact NH2-OG 3.11Å; R202-D216 IonicContact NH2-OD1 3.89Å; R202-D216 PolarHBondContact NH2-OD1 3.25Å; R202-L252 HydrophobicContact CG-CD1 3.88Å; R202-L255 HydrophobicContact CB-CD2 4Å; R202-L255 HydrophobicContact CG-CD2 4.46Å; R202-E256 IonicContact CZ-OE1 3.52Å; R202-E256 IonicContact NE-OE1 3.39Å; R202-E256 PolarHBondContact NE-OE1 2.94Å; R202-E256 IonicContact NH2-OE1 3.6Å; R202-E256 PolarHBondContact NH2-OE1 2.86Å; R202-L259 HydrophobicContact CB-CD1 4.09Å
203	F	90.6	Very high	87.7	Confident	119 Å²	119	74.3 Å²	74.3	52%	0.522	39%	0.391	S	S	.	.	H	α-helix	trans	-59	-47.6	179.7	179.9	-100.4	0	0	0	112	R199 K200 V201 F205 I206 L207	R199-F203 PolarHBondContact O-N 2.84Å; K200-F203 PolarHBondContact O-N 3Å; V201-F203 PolarHBondContact O-N 2.98Å; F203-F205 VanDerWaalsContact C-N 3.34Å; F203-F205 PolarHBondContact O-N 3.34Å; F203-I206 PolarHBondContact O-N 2.96Å; F203-L207 HydrophobicContact CD1-CD1 3.96Å; F203-L207 HydrophobicContact CE1-CD1 3.46Å; F203-L207 VanDerWaalsContact CE1-CD1 3.46Å; F203-L207 HydrophobicContact CE1-CG 4.31Å; F203-L207 HydrophobicContact CZ-CD1 3.93Å; F203-L207 HydrophobicContact CZ-CG 4.45Å; F203-L207 WeakPolarHBondContact O-CG 3.3Å; F203-L207 PolarHBondContact O-N 3.05Å; F203-L207 VanDerWaalsContact O-N 3.16Å
204	N	92.8	Very high	86.7	Confident	69 Å²	69	76.3 Å²	76.3	37%	0.369	41%	0.409	S	S	.	.	H	α-helix	trans	-65.6	-35.2	176.6	-71.3	-12	0	0	0	112.6	K200 V201 R202 L207 L208	K200-N204 WeakPolarHBondContact O-CB 3.3Å; K200-N204 PolarHBondContact O-N 3.45Å; V201-N204 PolarHBondContact O-N 3.44Å; R202-N204 PolarHBondContact O-N 2.87Å; N204-L207 PolarHBondContact O-N 3.33Å; N204-L208 WeakPolarHBondContact O-CB 3.05Å; N204-L208 VanDerWaalsContact O-CG 3.27Å; N204-L208 WeakPolarHBondContact O-CG 3.33Å; N204-L208 PolarHBondContact O-N 3.31Å
205	F	92.9	Very high	85.5	Confident	49 Å²	49	75.7 Å²	75.7	22%	0.215	40%	0.401	C	S	.	.	H	α-helix	trans	-63	-45.3	176.8	-176.3	-84.1	0	0	0	111.6	V201 R202 F203 L207 L208 T209 V211 A248 T251 L252	V201-F205 WeakPolarHBondContact O-CB 3.3Å; V201-F205 PolarHBondContact O-N 3.44Å; R202-F205 WeakPolarHBondContact O-CB 3.49Å; R202-F205 PolarHBondContact O-N 3.35Å; F203-F205 VanDerWaalsContact C-N 3.34Å; F203-F205 PolarHBondContact O-N 3.34Å; F205-L207 PolarHBondContact O-N 3.09Å; F205-L208 PolarHBondContact O-N 2.97Å; F205-T209 HydrophobicContact CD1-CG2 4.26Å; F205-T209 HydrophobicContact CD2-CG2 4.46Å; F205-T209 HydrophobicContact CE1-CG2 3.9Å; F205-T209 HydrophobicContact CE2-CG2 4.14Å; F205-T209 HydrophobicContact CZ-CG2 3.85Å; F205-T209 WeakPolarHBondContact O-CB 3.38Å; F205-T209 WeakPolarHBondContact O-CG2 3.41Å; F205-T209 PolarHBondContact O-N 3.08Å; F205-T209 PolarHBondContact O-OG1 2.93Å; F205-V211 HydrophobicContact CE1-CG2 4.39Å; F205-A248 HydrophobicContact CE1-CB 4.45Å; F205-A248 VanDerWaalsContact CE1-O 3.31Å; F205-A248 WeakPolarHBondContact CE1-O 3.14Å; F205-A248 HydrophobicContact CZ-CB 4.22Å; F205-T251 HydrophobicContact CE2-CG2 4.01Å; F205-T251 HydrophobicContact CZ-CG2 3.92Å; F205-L252 HydrophobicContact CD1-CB 4.32Å; F205-L252 HydrophobicContact CD1-CD1 4.22Å; F205-L252 HydrophobicContact CE1-CB 3.94Å
206	I	90.3	Very high	84	Confident	38 Å²	38	79.3 Å²	79.3	20%	0.195	42%	0.421	C	S	.	.	H	α-helix	trans	-57.9	-47.4	174.2	-70.7	167.3	0	0	0	110.4	R202 F203 L208 N210 L252	R202-I206 HydrophobicContact CG-CD1 4.08Å; R202-I206 WeakPolarHBondContact O-CG1 3.36Å; R202-I206 PolarHBondContact O-N 3.04Å; F203-I206 PolarHBondContact O-N 2.96Å; I206-L208 PolarHBondContact O-N 2.92Å; I206-N210 WeakPolarHBondContact O-CA 3.5Å; I206-N210 PolarHBondContact O-N 3.21Å; I206-L252 HydrophobicContact CD1-CD1 4.26Å; I206-L252 HydrophobicContact CD1-CD2 4.26Å; I206-L252 HydrophobicContact CG1-CD1 4.02Å; I206-L252 HydrophobicContact CG1-CD2 3.83Å
207	L	89.8	Confident	82.2	Confident	114 Å²	114	82.2 Å²	82.2	60%	0.597	44%	0.437	S	S	*	.	H	α-helix	trans	-61.3	-40.7	177.6	-70.1	178	0	0	0	113.4	F203 N204 F205	F203-L207 HydrophobicContact CD1-CD1 3.96Å; F203-L207 HydrophobicContact CE1-CD1 3.46Å; F203-L207 VanDerWaalsContact CE1-CD1 3.46Å; F203-L207 HydrophobicContact CE1-CG 4.31Å; F203-L207 HydrophobicContact CZ-CD1 3.93Å; F203-L207 HydrophobicContact CZ-CG 4.45Å; F203-L207 WeakPolarHBondContact O-CG 3.3Å; F203-L207 PolarHBondContact O-N 3.05Å; F203-L207 VanDerWaalsContact O-N 3.16Å; N204-L207 PolarHBondContact O-N 3.33Å; F205-L207 PolarHBondContact O-N 3.09Å
208	L	90.7	Very high	80.5	Confident	151 Å²	151	86.1 Å²	86.1	79%	0.791	44%	0.441	S	S	*	.	H	α-helix	trans	-75.5	-32.8	-177.2	-73.7	169.8	0	0	0	113.4	N204 F205 I206	N204-L208 WeakPolarHBondContact O-CB 3.05Å; N204-L208 VanDerWaalsContact O-CG 3.27Å; N204-L208 WeakPolarHBondContact O-CG 3.33Å; N204-L208 PolarHBondContact O-N 3.31Å; F205-L208 PolarHBondContact O-N 2.97Å; I206-L208 PolarHBondContact O-N 2.92Å
209	T	88.4	Confident	78.7	Confident	39 Å²	39	86 Å²	86	24%	0.239	44%	0.438	C	S	.	.	H	α-helix	trans	-100	-17.8	-174.3	58.2	0	0	0	0	113.3	F205 V211 A248	F205-T209 HydrophobicContact CD1-CG2 4.26Å; F205-T209 HydrophobicContact CD2-CG2 4.46Å; F205-T209 HydrophobicContact CE1-CG2 3.9Å; F205-T209 HydrophobicContact CE2-CG2 4.14Å; F205-T209 HydrophobicContact CZ-CG2 3.85Å; F205-T209 WeakPolarHBondContact O-CB 3.38Å; F205-T209 WeakPolarHBondContact O-CG2 3.41Å; F205-T209 PolarHBondContact O-N 3.08Å; F205-T209 PolarHBondContact O-OG1 2.93Å; T209-V211 PolarHBondContact O-N 3.2Å; T209-V211 WeakPolarHBondContact OG1-CG2 3.32Å; T209-A248 HydrophobicContact CG2-CB 3.92Å
210	N	84.7	Confident	76.3	Confident	132 Å²	132	84.3 Å²	84.3	71%	0.706	46%	0.456	S	S	*	.			trans	53.7	36.6	-175.9	-161	24.9	0	0	0	112.5	I206	I206-N210 WeakPolarHBondContact O-CA 3.5Å; I206-N210 PolarHBondContact O-N 3.21Å
211	V	85.6	Confident	73.5	Confident	14 Å²	14	82.3 Å²	82.3	9%	0.085	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-97.1	139.5	169.4	-53.4	0	0	0	0	109.5	F205 T209 A248 L252	F205-V211 HydrophobicContact CE1-CG2 4.39Å; T209-V211 PolarHBondContact O-N 3.2Å; T209-V211 WeakPolarHBondContact OG1-CG2 3.32Å; V211-A248 HydrophobicContact CG1-CB 3.84Å; V211-L252 HydrophobicContact CG2-CB 4.35Å; V211-L252 HydrophobicContact CG2-CD2 3.72Å
212	T	77.6	Confident	70.9	Confident	118 Å²	118	85.7 Å²	85.7	72%	0.724	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-88.9	133.3	178.4	50.2	0	0	0	0	110.4
213	S	70.4	Confident	68.2	Low	12 Å²	12	92.8 Å²	92.8	8%	0.084	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-67.9	142.3	168.6	176.4	0	0	0	0	110.2	R202 R215 D216 E256	R202-S213 VanDerWaalsContact NH2-CB 3.3Å; R202-S213 PolarHBondContact NH2-OG 3.11Å; S213-R215 PolarHBondContact O-N 2.87Å; S213-R215 PolarHBondContact OG-N 3.49Å; S213-D216 WeakPolarHBondContact CB-OD1 3.47Å; S213-E256 WeakPolarHBondContact CB-OE1 3.44Å; S213-E256 PolarHBondContact OG-OE1 3.4Å; S213-E256 PolarHBondContact OG-OE2 2.89Å
214	T	63.3	Low	65.6	Low	123 Å²	123	93 Å²	93	76%	0.755	53%	0.533	S	S	*	.	S	Bend	trans	-80.9	-2.1	169.9	53.9	0	0	0	0	112.4
215	R	61.1	Low	62.9	Low	68 Å²	68	97.3 Å²	97.3	26%	0.257	56%	0.555	S	S	.	*			trans	-123.6	15.5	-165.8	-65.6	172.8	159.3	-135.7	-6.3	114.6	S213 S217 R218 E256 E260	S213-R215 PolarHBondContact O-N 2.87Å; S213-R215 PolarHBondContact OG-N 3.49Å; R215-S217 PolarHBondContact O-N 2.98Å; R215-R218 PolarHBondContact O-N 3.26Å; R215-E256 WeakPolarHBondContact CD-OE2 3.39Å; R215-E260 IonicContact CZ-OE2 2.69Å; R215-E260 IonicContact NH1-OE2 3.56Å; R215-E260 PolarHBondContact NH1-OE2 3.35Å; R215-E260 IonicContact NH2-OE2 3.57Å
216	D	54.7	Low	60	Low	89 Å²	89	104 Å²	104	48%	0.476	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.4	-0	-173.8	-79	-29.4	0	0	0	116.3	R202 S213	R202-D216 IonicContact NH2-OD1 3.89Å; R202-D216 PolarHBondContact NH2-OD1 3.25Å; S213-D216 WeakPolarHBondContact CB-OD1 3.47Å
217	S	47.9	Very low	57.4	Low	118 Å²	118	106.8 Å²	106.8	83%	0.825	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-17	175.6	62.7	0	0	0	0	115	R215	R215-S217 PolarHBondContact O-N 2.98Å
218	R	53.9	Low	54.9	Low	154 Å²	154	106.9 Å²	106.9	58%	0.581	62%	0.615	S	S	*	*	S	Bend	trans	-106.8	-15.9	-178	-72.8	-169.5	-74.5	163	2.2	115.4	R215 E260	R215-R218 PolarHBondContact O-N 3.26Å; R218-E260 IonicContact CZ-OE1 3.86Å; R218-E260 IonicContact NH1-OE1 2.68Å; R218-E260 PolarHBondContact NH1-OE1 2.9Å; R218-E260 IonicContact NH2-OE1 3.88Å; R218-E260 PolarHBondContact NH2-OE1 3.06Å; R218-E260 IonicContact NH2-OE2 3.57Å
219	F	53.7	Low	52.2	Low	51 Å²	51	108 Å²	108	22%	0.224	62%	0.616	C	S	.	*	S	Bend	trans	-112.6	92.2	-178.8	-60.7	-75.5	0	0	0	110.4	A221	F219-A221 PolarHBondContact O-N 3.48Å
220	G	38.8	Very low	49.6	Very low	77 Å²	77	113.7 Å²	113.7	79%	0.794	65%	0.645	S	S	*	*			trans	-60.6	124	-161.6	0	0	0	0	0	117.7
221	A	33.4	Very low	47.2	Very low	96 Å²	96	111.2 Å²	111.2	79%	0.793	65%	0.65	S	S	*	*			trans	60.4	127.2	148.5	0	0	0	0	0	120.6	F219	F219-A221 PolarHBondContact O-N 3.48Å
222	V	36.7	Very low	44.6	Very low	145 Å²	145	118.4 Å²	118.4	88%	0.879	69%	0.689	S	S	*	*				-154.7	154.4	94.5	167	0	0	0	0	109.1
223	Q	34.6	Very low	42.6	Very low	172 Å²	172	118.3 Å²	118.3	80%	0.804	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-68.7	153.1	-172.9	-61.4	177	-10	0	0	115.3
224	P	35.9	Very low	40.8	Very low	124 Å²	124	123.7 Å²	123.7	81%	0.805	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-76.9	129.5	168.7	32	-33.1	0	0	0	111.8
225	I	36.1	Very low	39.5	Very low	160 Å²	160	123 Å²	123	82%	0.821	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-76.5	122.3	174.4	-64.5	172.7	0	0	0	109.4
226	Q	33	Very low	38.2	Very low	188 Å²	188	128.5 Å²	128.5	88%	0.879	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-85.9	129.6	169	-74.6	-178.8	-21.3	0	0	110.9
227	S	36.2	Very low	37.3	Very low	97 Å²	97	132.4 Å²	132.4	68%	0.678	78%	0.778	S	S	*	*			trans	-153.1	96.3	158.1	-54.7	0	0	0	0	110.2
228	T	35.8	Very low	36.7	Very low	117 Å²	117	129.1 Å²	129.1	72%	0.718	76%	0.763	S	S	*	*			trans	50.9	101.1	130.1	58.2	0	0	0	0	120.8
229	E	34.4	Very low	35.7	Very low	173 Å²	173	128.1 Å²	128.1	81%	0.808	78%	0.779	S	S	*	*				67.6	139.7	120.7	-68.4	176.2	163.5	0	0	123.2
230	D	34.6	Very low	35.6	Very low	160 Å²	160	129.2 Å²	129.2	86%	0.856	79%	0.792	S	S	*	*			trans	68.3	119.1	154.8	-62.6	-10.7	0	0	0	122.1
231	G	32.8	Very low	36.4	Very low	79 Å²	79	128 Å²	128	81%	0.814	78%	0.78	S	S	*	*			trans	163.6	68.3	168.3	0	0	0	0	0	116	S233	G231-S233 PolarHBondContact O-N 3.45Å
232	N	32.1	Very low	37.9	Very low	166 Å²	166	125.6 Å²	125.6	89%	0.888	76%	0.764	S	S	*	*			trans	-59.5	122.4	176.6	-139.3	-6.7	0	0	0	112.3
233	S	34.8	Very low	39.8	Very low	116 Å²	116	124 Å²	124	81%	0.811	75%	0.747	S	S	*	*			trans	-170.2	117.7	148.8	-85.6	0	0	0	0	112.6	G231	G231-S233 PolarHBondContact O-N 3.45Å
234	S	33.2	Very low	42	Very low	125 Å²	125	120.9 Å²	120.9	87%	0.874	74%	0.736	S	S	*	*			trans	-75.5	121.4	173.8	42.7	0	0	0	0	111.2
235	S	36.7	Very low	44.3	Very low	107 Å²	107	121 Å²	121	75%	0.748	72%	0.724	S	S	*	*			trans	-134.9	105.1	163.2	59.7	0	0	0	0	111.3	L237	S235-L237 PolarHBondContact O-N 3.23Å
236	H	32.9	Very low	46.6	Very low	185 Å²	185	117.4 Å²	117.4	86%	0.856	71%	0.706	S	S	*	*			trans	-57.7	87.1	178.1	177.9	-67.9	0	0	0	112.8
237	L	36.1	Very low	49.2	Very low	170 Å²	170	111.4 Å²	111.4	89%	0.89	68%	0.682	S	S	*	*			trans	-98.1	115.2	148.1	-90.4	72.5	0	0	0	106.4	S235	S235-L237 PolarHBondContact O-N 3.23Å
238	G	35.2	Very low	51.7	Low	49 Å²	49	107.3 Å²	107.3	51%	0.505	65%	0.654	S	S	.	*			cis	117.5	51.3	37	0	0	0	0	0	109.4	S240	G238-S240 PolarHBondContact O-N 3.37Å
239	C	33.8	Very low	54.2	Low	134 Å²	134	104.3 Å²	104.3	91%	0.905	64%	0.638	S	S	*	*	S	Bend	trans	49.4	-19.7	169.8	-142.1	0	0	0	0	121.5
240	S	50.8	Low	56.7	Low	73 Å²	73	101 Å²	101	51%	0.51	62%	0.623	S	S	.	*	H	α-helix	trans	-93.4	-24.8	-174.4	-165.1	0	0	0	0	114.2	G238 G242 N244	G238-S240 PolarHBondContact O-N 3.37Å; S240-G242 VanDerWaalsContact C-N 3.31Å; S240-G242 PolarHBondContact O-N 3.2Å; S240-N244 PolarHBondContact O-N 3.44Å
241	G	54.4	Low	59.4	Low	52 Å²	52	96.6 Å²	96.6	54%	0.536	60%	0.601	S	S	.	*	H	α-helix	trans	-70.8	-23.2	-177.7	0	0	0	0	0	114.4	K245	G241-K245 PolarHBondContact O-N 3.27Å
242	G	66.5	Low	62.2	Low	45 Å²	45	93 Å²	93	46%	0.464	56%	0.563	S	S	.	*	H	α-helix	trans	-69.7	-51.3	175.5	0	0	0	0	0	111.8	S240 N244 K245 I246	S240-G242 VanDerWaalsContact C-N 3.31Å; S240-G242 PolarHBondContact O-N 3.2Å; G242-N244 VanDerWaalsContact C-N 3.34Å; G242-N244 PolarHBondContact O-N 2.92Å; G242-K245 PolarHBondContact O-N 3.22Å; G242-K245 VanDerWaalsContact O-N 3.14Å; G242-I246 WeakPolarHBondContact O-CG1 3.41Å; G242-I246 PolarHBondContact O-N 3.37Å
243	Q	75.1	Confident	64.9	Low	112 Å²	112	90.3 Å²	90.3	52%	0.523	55%	0.545	S	S	.	.	H	α-helix	trans	-58.9	-45.3	179.8	-166	63.7	32.1	0	0	111.7	K245 I246 T247	Q243-K245 VanDerWaalsContact C-N 3.28Å; Q243-K245 PolarHBondContact O-N 3.32Å; Q243-I246 PolarHBondContact O-N 3.37Å; Q243-I246 VanDerWaalsContact O-N 3.15Å; Q243-T247 PolarHBondContact O-N 2.7Å; Q243-T247 PolarHBondContact O-OG1 3.3Å
244	N	80.8	Confident	67.4	Low	107 Å²	107	90.4 Å²	90.4	57%	0.572	53%	0.533	S	S	*	.	H	α-helix	trans	-61.2	-35	178.8	-67.6	4.8	0	0	0	112.6	S240 G242 A248	S240-N244 PolarHBondContact O-N 3.44Å; G242-N244 VanDerWaalsContact C-N 3.34Å; G242-N244 PolarHBondContact O-N 2.92Å; N244-A248 WeakPolarHBondContact O-CB 3.42Å; N244-A248 PolarHBondContact O-N 2.91Å
245	K	84.1	Confident	70.2	Confident	125 Å²	125	86.3 Å²	86.3	54%	0.543	50%	0.501	S	S	.	.	H	α-helix	trans	-72.8	-37.4	175.2	-78.7	-169.5	172.8	-163.4	0	112.8	G241 G242 Q243 S249	G241-K245 PolarHBondContact O-N 3.27Å; G242-K245 PolarHBondContact O-N 3.22Å; G242-K245 VanDerWaalsContact O-N 3.14Å; Q243-K245 VanDerWaalsContact C-N 3.28Å; Q243-K245 PolarHBondContact O-N 3.32Å; K245-S249 WeakPolarHBondContact O-CB 3.32Å; K245-S249 PolarHBondContact O-N 3.32Å
246	I	85	Confident	72.7	Confident	85 Å²	85	81.3 Å²	81.3	44%	0.436	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-55.1	174.7	-67.1	164.5	0	0	0	109.1	G242 Q243 A248 S249 E250	G242-I246 WeakPolarHBondContact O-CG1 3.41Å; G242-I246 PolarHBondContact O-N 3.37Å; Q243-I246 PolarHBondContact O-N 3.37Å; Q243-I246 VanDerWaalsContact O-N 3.15Å; I246-A248 VanDerWaalsContact C-N 3.3Å; I246-A248 PolarHBondContact O-N 3.22Å; I246-S249 WeakPolarHBondContact O-CA 3.43Å; I246-S249 WeakPolarHBondContact O-CB 3.33Å; I246-S249 PolarHBondContact O-N 2.86Å; I246-E250 HydrophobicContact CG2-CG 4.38Å; I246-E250 WeakPolarHBondContact CG2-OE1 3.42Å; I246-E250 WeakPolarHBondContact O-CG 3.38Å; I246-E250 PolarHBondContact O-N 2.95Å
247	T	87.4	Confident	75.3	Confident	62 Å²	62	78.5 Å²	78.5	38%	0.38	45%	0.448	S	S	.	.	H	α-helix	trans	-60.9	-35.9	178.6	-58.3	0	0	0	0	112.7	Q243 E250 T251	Q243-T247 PolarHBondContact O-N 2.7Å; Q243-T247 PolarHBondContact O-OG1 3.3Å; T247-E250 WeakPolarHBondContact CA-OE2 3.49Å; T247-T251 VanDerWaalsContact O-CB 3.27Å; T247-T251 WeakPolarHBondContact O-CB 3.3Å; T247-T251 PolarHBondContact O-N 3.46Å; T247-T251 PolarHBondContact O-OG1 2.84Å
248	A	89.8	Confident	77.7	Confident	12 Å²	12	72.9 Å²	72.9	10%	0.099	42%	0.423	C	S	.	.	H	α-helix	trans	-65.6	-38	172.9	0	0	0	0	0	112.8	F205 T209 V211 N244 I246 L252	F205-A248 HydrophobicContact CE1-CB 4.45Å; F205-A248 VanDerWaalsContact CE1-O 3.31Å; F205-A248 WeakPolarHBondContact CE1-O 3.14Å; F205-A248 HydrophobicContact CZ-CB 4.22Å; T209-A248 HydrophobicContact CG2-CB 3.92Å; V211-A248 HydrophobicContact CG1-CB 3.84Å; N244-A248 WeakPolarHBondContact O-CB 3.42Å; N244-A248 PolarHBondContact O-N 2.91Å; I246-A248 VanDerWaalsContact C-N 3.3Å; I246-A248 PolarHBondContact O-N 3.22Å; A248-L252 WeakPolarHBondContact O-CB 3.45Å; A248-L252 PolarHBondContact O-N 3.44Å
249	S	87.4	Confident	80.1	Confident	53 Å²	53	70.6 Å²	70.6	37%	0.371	40%	0.399	S	S	.	.	H	α-helix	trans	-67.5	-45.2	175.5	-166.1	0	0	0	0	111.9	K245 I246 T251 L252 E253	K245-S249 WeakPolarHBondContact O-CB 3.32Å; K245-S249 PolarHBondContact O-N 3.32Å; I246-S249 WeakPolarHBondContact O-CA 3.43Å; I246-S249 WeakPolarHBondContact O-CB 3.33Å; I246-S249 PolarHBondContact O-N 2.86Å; S249-T251 VanDerWaalsContact C-N 3.35Å; S249-L252 PolarHBondContact O-N 3.05Å; S249-E253 PolarHBondContact O-N 3.33Å
250	E	88.3	Confident	82.5	Confident	105 Å²	105	66.2 Å²	66.2	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-60.1	-44.6	175.4	-67.9	166.4	159.9	0	0	110.9	I246 T247 L252 E253 E254	I246-E250 HydrophobicContact CG2-CG 4.38Å; I246-E250 WeakPolarHBondContact CG2-OE1 3.42Å; I246-E250 WeakPolarHBondContact O-CG 3.38Å; I246-E250 PolarHBondContact O-N 2.95Å; T247-E250 WeakPolarHBondContact CA-OE2 3.49Å; E250-L252 VanDerWaalsContact C-N 3.34Å; E250-L252 PolarHBondContact O-N 3.28Å; E250-E253 PolarHBondContact O-N 2.96Å; E250-E254 PolarHBondContact O-N 3.44Å
251	T	91.1	Very high	83.8	Confident	66 Å²	66	68.4 Å²	68.4	41%	0.405	36%	0.362	S	S	.	.	H	α-helix	trans	-64.2	-36.7	177	-55.5	0	0	0	0	112.1	F205 T247 S249 L255	F205-T251 HydrophobicContact CE2-CG2 4.01Å; F205-T251 HydrophobicContact CZ-CG2 3.92Å; T247-T251 VanDerWaalsContact O-CB 3.27Å; T247-T251 WeakPolarHBondContact O-CB 3.3Å; T247-T251 PolarHBondContact O-N 3.46Å; T247-T251 PolarHBondContact O-OG1 2.84Å; S249-T251 VanDerWaalsContact C-N 3.35Å; T251-L255 VanDerWaalsContact O-CB 3.29Å; T251-L255 WeakPolarHBondContact O-CB 3.43Å; T251-L255 PolarHBondContact O-N 3.39Å
252	L	91.5	Very high	85	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-67.9	-40.7	175.1	-179.3	60.7	0	0	0	111.5	R202 F205 I206 V211 A248 S249 E250 L255 E256	R202-L252 HydrophobicContact CG-CD1 3.88Å; F205-L252 HydrophobicContact CD1-CB 4.32Å; F205-L252 HydrophobicContact CD1-CD1 4.22Å; F205-L252 HydrophobicContact CE1-CB 3.94Å; I206-L252 HydrophobicContact CD1-CD1 4.26Å; I206-L252 HydrophobicContact CD1-CD2 4.26Å; I206-L252 HydrophobicContact CG1-CD1 4.02Å; I206-L252 HydrophobicContact CG1-CD2 3.83Å; V211-L252 HydrophobicContact CG2-CB 4.35Å; V211-L252 HydrophobicContact CG2-CD2 3.72Å; A248-L252 WeakPolarHBondContact O-CB 3.45Å; A248-L252 PolarHBondContact O-N 3.44Å; S249-L252 PolarHBondContact O-N 3.05Å; E250-L252 VanDerWaalsContact C-N 3.34Å; E250-L252 PolarHBondContact O-N 3.28Å; L252-L255 PolarHBondContact O-N 3.13Å; L252-E256 HydrophobicContact CD1-CG 4.11Å; L252-E256 HydrophobicContact CG-CG 4.39Å; L252-E256 WeakPolarHBondContact O-CB 3.2Å; L252-E256 WeakPolarHBondContact O-CG 3.38Å; L252-E256 PolarHBondContact O-N 2.98Å
253	E	87.7	Confident	85.5	Confident	109 Å²	109	69.1 Å²	69.1	51%	0.509	34%	0.341	S	S	.	.	H	α-helix	trans	-64.4	-44.5	178	-174.5	166.2	-165.8	0	0	111.7	S249 E250 E256 W257	S249-E253 PolarHBondContact O-N 3.33Å; E250-E253 PolarHBondContact O-N 2.96Å; E253-E256 PolarHBondContact O-N 2.78Å; E253-W257 VanDerWaalsContact O-CB 3.31Å; E253-W257 WeakPolarHBondContact O-CB 3.44Å; E253-W257 PolarHBondContact O-N 3.14Å
254	E	88.5	Confident	85.4	Confident	118 Å²	118	69.2 Å²	69.2	55%	0.551	35%	0.345	S	S	*	.	H	α-helix	trans	-62.1	-41.3	172.9	-75.6	-68.4	164.9	0	0	112	E250 W257 C258	E250-E254 PolarHBondContact O-N 3.44Å; E254-W257 PolarHBondContact O-N 3.07Å; E254-C258 WeakPolarHBondContact O-CB 3.44Å; E254-C258 PolarHBondContact O-N 3.02Å; E254-C258 PolarHBondContact O-SG 3.41Å
255	L	90.7	Very high	84.9	Confident	39 Å²	39	68.1 Å²	68.1	20%	0.204	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-40.9	176.4	177.9	61.8	0	0	0	112.4	R202 T251 L252 C258 L259	R202-L255 HydrophobicContact CB-CD2 4Å; R202-L255 HydrophobicContact CG-CD2 4.46Å; T251-L255 VanDerWaalsContact O-CB 3.29Å; T251-L255 WeakPolarHBondContact O-CB 3.43Å; T251-L255 PolarHBondContact O-N 3.39Å; L252-L255 PolarHBondContact O-N 3.13Å; L255-C258 PolarHBondContact O-N 2.82Å; L255-L259 HydrophobicContact CG-CD1 4.44Å; L255-L259 WeakPolarHBondContact O-CB 3.41Å; L255-L259 WeakPolarHBondContact O-CG 3.38Å; L255-L259 PolarHBondContact O-N 3.14Å
256	E	90.1	Very high	83.7	Confident	3 Å²	3	67 Å²	67	1%	0.014	34%	0.335	C	S	.	.	H	α-helix	trans	-68.4	-38.2	175.9	-76.1	-178.2	178.2	0	0	112.1	R202 S213 R215 L252 E253 L259 E260	R202-E256 IonicContact CZ-OE1 3.52Å; R202-E256 IonicContact NE-OE1 3.39Å; R202-E256 PolarHBondContact NE-OE1 2.94Å; R202-E256 IonicContact NH2-OE1 3.6Å; R202-E256 PolarHBondContact NH2-OE1 2.86Å; S213-E256 WeakPolarHBondContact CB-OE1 3.44Å; S213-E256 PolarHBondContact OG-OE1 3.4Å; S213-E256 PolarHBondContact OG-OE2 2.89Å; R215-E256 WeakPolarHBondContact CD-OE2 3.39Å; L252-E256 HydrophobicContact CD1-CG 4.11Å; L252-E256 HydrophobicContact CG-CG 4.39Å; L252-E256 WeakPolarHBondContact O-CB 3.2Å; L252-E256 WeakPolarHBondContact O-CG 3.38Å; L252-E256 PolarHBondContact O-N 2.98Å; E253-E256 PolarHBondContact O-N 2.78Å; E256-L259 PolarHBondContact O-N 3.44Å; E256-E260 WeakPolarHBondContact O-CB 3.43Å; E256-E260 PolarHBondContact O-N 3.24Å
257	W	86.8	Confident	82.5	Confident	125 Å²	125	67.1 Å²	67.1	47%	0.473	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-43.1	171.9	-179.8	85.6	0	0	0	111.5	E253 E254 E260 R261	E253-W257 VanDerWaalsContact O-CB 3.31Å; E253-W257 WeakPolarHBondContact O-CB 3.44Å; E253-W257 PolarHBondContact O-N 3.14Å; E254-W257 PolarHBondContact O-N 3.07Å; W257-E260 PolarHBondContact O-N 2.93Å; W257-R261 WeakPolarHBondContact O-CB 3.2Å; W257-R261 PolarHBondContact O-N 3.42Å
258	C	87.2	Confident	81.3	Confident	53 Å²	53	72.3 Å²	72.3	36%	0.358	36%	0.359	S	S	.	.	H	α-helix	trans	-61	-44.5	173.9	-71.9	0	0	0	0	112.1	E254 L255 R261 L262	E254-C258 WeakPolarHBondContact O-CB 3.44Å; E254-C258 PolarHBondContact O-N 3.02Å; E254-C258 PolarHBondContact O-SG 3.41Å; L255-C258 PolarHBondContact O-N 2.82Å; C258-R261 PolarHBondContact O-N 3.48Å; C258-L262 WeakPolarHBondContact O-CB 3.26Å; C258-L262 VanDerWaalsContact O-CG 3.3Å; C258-L262 WeakPolarHBondContact O-CG 3.48Å; C258-L262 PolarHBondContact O-N 3.34Å
259	L	86.1	Confident	80.4	Confident	1 Å²	1	81.4 Å²	81.4	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-62.8	-47.6	176.2	-81	169.9	0	0	0	111.9	L195 L198 R199 R202 L255 E256 R261 L262 E263	L195-L259 HydrophobicContact CD2-CD2 4.35Å; L198-L259 HydrophobicContact CB-CD2 3.71Å; L198-L259 HydrophobicContact CD1-CD2 4.48Å; R199-L259 HydrophobicContact CG-CD2 4.28Å; R202-L259 HydrophobicContact CB-CD1 4.09Å; L255-L259 HydrophobicContact CG-CD1 4.44Å; L255-L259 WeakPolarHBondContact O-CB 3.41Å; L255-L259 WeakPolarHBondContact O-CG 3.38Å; L255-L259 PolarHBondContact O-N 3.14Å; E256-L259 PolarHBondContact O-N 3.44Å; L259-R261 VanDerWaalsContact C-N 3.27Å; L259-R261 PolarHBondContact O-N 2.84Å; L259-L262 PolarHBondContact O-N 3.38Å; L259-E263 WeakPolarHBondContact O-CG 3.41Å; L259-E263 PolarHBondContact O-N 2.94Å
260	E	82.8	Confident	79.7	Confident	42 Å²	42	81.4 Å²	81.4	20%	0.196	39%	0.391	C	S	.	.	H	α-helix	trans	-59.8	-38	174.3	179.9	168.2	-137.9	0	0	111.1	R215 R218 E256 W257 N264	R215-E260 IonicContact CZ-OE2 2.69Å; R215-E260 IonicContact NH1-OE2 3.56Å; R215-E260 PolarHBondContact NH1-OE2 3.35Å; R215-E260 IonicContact NH2-OE2 3.57Å; R218-E260 IonicContact CZ-OE1 3.86Å; R218-E260 IonicContact NH1-OE1 2.68Å; R218-E260 PolarHBondContact NH1-OE1 2.9Å; R218-E260 IonicContact NH2-OE1 3.88Å; R218-E260 PolarHBondContact NH2-OE1 3.06Å; R218-E260 IonicContact NH2-OE2 3.57Å; E256-E260 WeakPolarHBondContact O-CB 3.43Å; E256-E260 PolarHBondContact O-N 3.24Å; W257-E260 PolarHBondContact O-N 2.93Å; E260-N264 WeakPolarHBondContact O-CB 3.31Å; E260-N264 PolarHBondContact O-N 2.99Å; E260-N264 VanDerWaalsContact O-N 3.16Å; E260-N264 PolarHBondContact O-ND2 3Å
261	R	78.5	Confident	78.9	Confident	119 Å²	119	77.1 Å²	77.1	45%	0.449	37%	0.372	S	S	.	.	H	α-helix	trans	-70.8	-41.9	177.4	-168.2	56.5	174.2	178.1	-0.3	112.3	W257 C258 L259 N264 I265	W257-R261 WeakPolarHBondContact O-CB 3.2Å; W257-R261 PolarHBondContact O-N 3.42Å; C258-R261 PolarHBondContact O-N 3.48Å; L259-R261 VanDerWaalsContact C-N 3.27Å; L259-R261 PolarHBondContact O-N 2.84Å; R261-N264 CarbonylContact O-C 3.59Å; R261-N264 PolarHBondContact O-N 3.37Å; R261-I265 WeakPolarHBondContact O-CB 3.42Å; R261-I265 PolarHBondContact O-N 3.04Å
262	L	79.7	Confident	78.2	Confident	56 Å²	56	77.3 Å²	77.3	29%	0.293	38%	0.376	S	S	.	.	H	α-helix	trans	-61.9	-45.6	175.4	-73.6	168.5	0	0	0	111.5	F191 L195 L198 C258 L259 N264 I265	F191-L262 HydrophobicContact CE2-CD2 4.31Å; F191-L262 HydrophobicContact CZ-CB 4.34Å; F191-L262 WeakPolarHBondContact CZ-O 3.47Å; L195-L262 HydrophobicContact CD2-CB 3.89Å; L195-L262 HydrophobicContact CD2-CD1 4.44Å; L198-L262 HydrophobicContact CD1-CD1 3.73Å; C258-L262 WeakPolarHBondContact O-CB 3.26Å; C258-L262 VanDerWaalsContact O-CG 3.3Å; C258-L262 WeakPolarHBondContact O-CG 3.48Å; C258-L262 PolarHBondContact O-N 3.34Å; L259-L262 PolarHBondContact O-N 3.38Å; L262-N264 VanDerWaalsContact C-N 3.26Å; L262-N264 PolarHBondContact O-N 3.21Å; L262-I265 WeakPolarHBondContact O-CG2 3.37Å; L262-I265 PolarHBondContact O-N 3.4Å; L262-I265 VanDerWaalsContact O-N 3.09Å
263	E	76.9	Confident	77.4	Confident	56 Å²	56	81.2 Å²	81.2	26%	0.262	40%	0.397	S	S	.	.	H	α-helix	trans	-60.9	-36.1	177.1	-70.1	177.8	-160.1	0	0	111.9	L195 R199 L259 Q266	L195-E263 HydrophobicContact CD1-CG 4.2Å; L195-E263 HydrophobicContact CD2-CG 4.12Å; R199-E263 IonicContact CZ-OE1 3.86Å; R199-E263 VanDerWaalsContact CZ-OE1 3.22Å; R199-E263 IonicContact NE-OE1 3.49Å; R199-E263 PolarHBondContact NE-OE1 3.16Å; R199-E263 IonicContact NH2-OE1 2.83Å; R199-E263 PolarHBondContact NH2-OE1 2.86Å; R199-E263 IonicContact NH2-OE2 3.56Å; R199-E263 PolarHBondContact NH2-OE2 3.42Å; R199-E263 VanDerWaalsContact NH2-OE2 3.13Å; L259-E263 WeakPolarHBondContact O-CG 3.41Å; L259-E263 PolarHBondContact O-N 2.94Å; E263-Q266 WeakPolarHBondContact O-CB 3.5Å
264	N	74	Confident	76.7	Confident	113 Å²	113	79.8 Å²	79.8	60%	0.604	39%	0.391	S	S	*	.	H	α-helix	trans	-80.3	-18.5	174.6	-72	-55.8	0	0	0	114.5	E260 R261 L262 Q266	E260-N264 WeakPolarHBondContact O-CB 3.31Å; E260-N264 PolarHBondContact O-N 2.99Å; E260-N264 VanDerWaalsContact O-N 3.16Å; E260-N264 PolarHBondContact O-ND2 3Å; R261-N264 CarbonylContact O-C 3.59Å; R261-N264 PolarHBondContact O-N 3.37Å; L262-N264 VanDerWaalsContact C-N 3.26Å; L262-N264 PolarHBondContact O-N 3.21Å; N264-Q266 PolarHBondContact O-N 3.01Å
265	I	68.6	Low	76.2	Confident	84 Å²	84	74.5 Å²	74.5	43%	0.431	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	2.5	178.6	-134.3	167.7	0	0	0	112.7	R261 L262 T267	R261-I265 WeakPolarHBondContact O-CB 3.42Å; R261-I265 PolarHBondContact O-N 3.04Å; L262-I265 WeakPolarHBondContact O-CG2 3.37Å; L262-I265 PolarHBondContact O-N 3.4Å; L262-I265 VanDerWaalsContact O-N 3.09Å; I265-T267 PolarHBondContact O-N 3.46Å
266	Q	59.9	Low	75.7	Confident	101 Å²	101	74.6 Å²	74.6	47%	0.472	37%	0.372	S	S	.	.			trans	-68.9	54.3	175.5	-172.9	161.8	-3.3	0	0	112.6	F191 E263 N264 H268 V271	F191-Q266 HydrophobicContact CE1-CB 4.48Å; E263-Q266 WeakPolarHBondContact O-CB 3.5Å; N264-Q266 PolarHBondContact O-N 3.01Å; Q266-H268 PolarHBondContact O-N 2.99Å; Q266-V271 HydrophobicContact CB-CG2 4.39Å; Q266-V271 HydrophobicContact CG-CG2 4.02Å
267	T	59.7	Low	75.1	Confident	89 Å²	89	76.2 Å²	76.2	55%	0.546	38%	0.383	S	S	.	.			trans	-60.5	131	157.6	58.4	0	0	0	0	107.7	I265 R269 S270	I265-T267 PolarHBondContact O-N 3.46Å; T267-R269 PolarHBondContact O-N 2.97Å; T267-S270 PolarHBondContact O-N 3.39Å; T267-S270 PolarHBondContact O-OG 3.48Å; T267-S270 PolarHBondContact OG1-OG 3.42Å
268	H	62.8	Low	74.6	Confident	171 Å²	171	72.9 Å²	72.9	79%	0.792	37%	0.372	S	S	*	.	H	α-helix	trans	-55.3	-29.6	-169	-78.9	-81.6	0	0	0	113.7	Q266 S272	Q266-H268 PolarHBondContact O-N 2.99Å; H268-S272 WeakPolarHBondContact O-CB 3.34Å; H268-S272 PolarHBondContact O-N 3.48Å; H268-S272 VanDerWaalsContact O-N 3.15Å
269	R	70.6	Confident	74.4	Confident	202 Å²	202	74.7 Å²	74.7	76%	0.762	37%	0.374	S	S	*	.	H	α-helix	trans	-68.8	-56.1	179.6	-129.2	175.9	-160.6	-133	7	113.1	T267 V271 S272 D273	T267-R269 PolarHBondContact O-N 2.97Å; R269-V271 VanDerWaalsContact C-N 3.33Å; R269-V271 PolarHBondContact O-N 3.31Å; R269-S272 CarbonylContact O-C 3.56Å; R269-S272 WeakPolarHBondContact O-CA 3.47Å; R269-S272 WeakPolarHBondContact O-CB 3.34Å; R269-S272 PolarHBondContact O-N 3.34Å; R269-D273 WeakPolarHBondContact O-CB 3.3Å; R269-D273 PolarHBondContact O-N 3.03Å
270	S	73	Confident	74.2	Confident	54 Å²	54	76.8 Å²	76.8	38%	0.378	38%	0.383	S	S	.	.	H	α-helix	trans	-57.3	-42.9	-174.1	62.3	0	0	0	0	113.3	T267 M274	T267-S270 PolarHBondContact O-N 3.39Å; T267-S270 PolarHBondContact O-OG 3.48Å; T267-S270 PolarHBondContact OG1-OG 3.42Å; S270-M274 PolarHBondContact O-N 2.81Å; S270-M274 VanDerWaalsContact O-N 3.15Å
271	V	71.5	Confident	74	Confident	15 Å²	15	80.8 Å²	80.8	9%	0.091	40%	0.4	C	S	.	.	H	α-helix	trans	-74	-35.7	177.1	176.2	0	0	0	0	111.9	F191 Q266 R269 A275	F191-V271 HydrophobicContact CB-CG1 3.93Å; F191-V271 HydrophobicContact CB-CG2 4.31Å; F191-V271 HydrophobicContact CD1-CB 4.45Å; F191-V271 HydrophobicContact CD1-CG1 4Å; F191-V271 HydrophobicContact CD1-CG2 3.54Å; F191-V271 HydrophobicContact CD2-CG2 4.36Å; F191-V271 HydrophobicContact CE1-CG2 3.86Å; F191-V271 HydrophobicContact CG-CG1 4.22Å; F191-V271 HydrophobicContact CG-CG2 3.81Å; F191-V271 HydrophobicContact CZ-CG2 4.41Å; Q266-V271 HydrophobicContact CB-CG2 4.39Å; Q266-V271 HydrophobicContact CG-CG2 4.02Å; R269-V271 VanDerWaalsContact C-N 3.33Å; R269-V271 PolarHBondContact O-N 3.31Å; V271-A275 WeakPolarHBondContact O-CB 3.48Å; V271-A275 PolarHBondContact O-N 2.95Å; V271-A275 VanDerWaalsContact O-N 3.08Å
272	S	75.1	Confident	74.2	Confident	69 Å²	69	79.4 Å²	79.4	48%	0.483	40%	0.4	S	S	.	.	H	α-helix	trans	-64	-40.9	172.4	176.9	0	0	0	0	111.7	H268 R269 A275 S276	H268-S272 WeakPolarHBondContact O-CB 3.34Å; H268-S272 PolarHBondContact O-N 3.48Å; H268-S272 VanDerWaalsContact O-N 3.15Å; R269-S272 CarbonylContact O-C 3.56Å; R269-S272 WeakPolarHBondContact O-CA 3.47Å; R269-S272 WeakPolarHBondContact O-CB 3.34Å; R269-S272 PolarHBondContact O-N 3.34Å; S272-A275 PolarHBondContact O-N 3.5Å; S272-S276 WeakPolarHBondContact O-CB 3.11Å; S272-S276 PolarHBondContact O-N 3.05Å
273	D	75.4	Confident	74.4	Confident	87 Å²	87	79.7 Å²	79.7	47%	0.465	40%	0.401	S	S	.	.	H	α-helix	trans	-68.3	-40.7	-179.1	-66	-30.6	0	0	0	111.1	R269 A275 S276 S277	R269-D273 WeakPolarHBondContact O-CB 3.3Å; R269-D273 PolarHBondContact O-N 3.03Å; D273-A275 PolarHBondContact O-N 3.44Å; D273-S276 PolarHBondContact O-N 2.96Å; D273-S277 WeakPolarHBondContact O-CB 3.45Å; D273-S277 PolarHBondContact O-N 2.7Å
274	M	73.1	Confident	74.5	Confident	78 Å²	78	79.7 Å²	79.7	38%	0.384	40%	0.403	S	S	.	.	H	α-helix	trans	-63	-40.7	172.6	-161.6	-164.5	-71.1	0	0	112.1	P190 F191 I194 S270 K278	P190-M274 HydrophobicContact CB-CG 4.2Å; P190-M274 HydrophobicContact CB-SD 3.8Å; P190-M274 HydrophobicContact CG-CB 4.22Å; P190-M274 HydrophobicContact CG-CG 3.59Å; P190-M274 WeakPolarHBondContact CG-O 3.25Å; P190-M274 HydrophobicContact CG-SD 3.72Å; F191-M274 HydrophobicContact CB-CE 4.49Å; F191-M274 HydrophobicContact CB-SD 4.02Å; F191-M274 HydrophobicContact CD2-CE 4.16Å; I194-M274 HydrophobicContact CD1-SD 4.32Å; S270-M274 PolarHBondContact O-N 2.81Å; S270-M274 VanDerWaalsContact O-N 3.15Å; M274-K278 PolarHBondContact O-N 3.41Å; M274-K278 VanDerWaalsContact O-N 3.13Å
275	A	78.5	Confident	74.9	Confident	8 Å²	8	80.8 Å²	80.8	7%	0.066	40%	0.403	C	S	.	.	H	α-helix	trans	-67.9	-45.5	175.3	0	0	0	0	0	112.1	T189 V271 S272 D273 K278 F279	T189-A275 HydrophobicContact CG2-CB 3.95Å; V271-A275 WeakPolarHBondContact O-CB 3.48Å; V271-A275 PolarHBondContact O-N 2.95Å; V271-A275 VanDerWaalsContact O-N 3.08Å; S272-A275 PolarHBondContact O-N 3.5Å; D273-A275 PolarHBondContact O-N 3.44Å; A275-K278 WeakPolarHBondContact O-CB 3.48Å; A275-K278 PolarHBondContact O-N 2.87Å; A275-F279 HydrophobicContact CB-CE2 4.09Å; A275-F279 HydrophobicContact CB-CZ 4.4Å; A275-F279 VanDerWaalsContact O-CD2 3.25Å; A275-F279 WeakPolarHBondContact O-CD2 3.48Å; A275-F279 WeakPolarHBondContact O-CG 3.43Å; A275-F279 PolarHBondContact O-N 3.44Å
276	S	79.7	Confident	75.7	Confident	40 Å²	40	82.2 Å²	82.2	28%	0.28	41%	0.407	S	S	.	.	H	α-helix	trans	-60	-47.8	177.3	-174.7	0	0	0	0	111	S272 D273 K278 F279 K280	S272-S276 WeakPolarHBondContact O-CB 3.11Å; S272-S276 PolarHBondContact O-N 3.05Å; D273-S276 PolarHBondContact O-N 2.96Å; S276-K278 PolarHBondContact O-N 3.27Å; S276-F279 PolarHBondContact O-N 3.15Å; S276-K280 WeakPolarHBondContact O-CB 3.47Å; S276-K280 VanDerWaalsContact O-CG 3.24Å; S276-K280 WeakPolarHBondContact O-CG 3.45Å; S276-K280 PolarHBondContact O-N 3.19Å
277	S	77.7	Confident	76.8	Confident	37 Å²	37	78 Å²	78	26%	0.259	39%	0.388	S	S	.	.	H	α-helix	trans	-59.5	-43	174.7	-174	0	0	0	0	112	D273 F279 K280 K281	D273-S277 WeakPolarHBondContact O-CB 3.45Å; D273-S277 PolarHBondContact O-N 2.7Å; S277-F279 PolarHBondContact O-N 3Å; S277-K280 PolarHBondContact O-N 2.98Å; S277-K281 WeakPolarHBondContact O-CB 3.29Å; S277-K281 WeakPolarHBondContact O-CG 3.36Å; S277-K281 PolarHBondContact O-N 2.79Å
278	K	76.7	Confident	77.7	Confident	55 Å²	55	77.2 Å²	77.2	24%	0.239	39%	0.386	C	S	.	.	H	α-helix	trans	-60.7	-45.7	173.9	-173.8	-174.9	-179.8	-176.5	0	111.5	V188 P190 M274 A275 S276 K281 M282	V188-K278 PolarHBondContact O-NZ 3.43Å; P190-K278 HydrophobicContact CB-CD 4.02Å; P190-K278 HydrophobicContact CG-CB 4.12Å; P190-K278 HydrophobicContact CG-CD 3.88Å; M274-K278 PolarHBondContact O-N 3.41Å; M274-K278 VanDerWaalsContact O-N 3.13Å; A275-K278 WeakPolarHBondContact O-CB 3.48Å; A275-K278 PolarHBondContact O-N 2.87Å; S276-K278 PolarHBondContact O-N 3.27Å; K278-K281 PolarHBondContact O-N 3.1Å; K278-M282 HydrophobicContact CG-SD 4.1Å; K278-M282 WeakPolarHBondContact O-CB 3.24Å; K278-M282 VanDerWaalsContact O-CG 3.31Å; K278-M282 WeakPolarHBondContact O-CG 3.39Å; K278-M282 PolarHBondContact O-N 2.87Å
279	F	82.5	Confident	78.6	Confident	91 Å²	91	74 Å²	74	40%	0.399	37%	0.372	S	S	.	.	H	α-helix	trans	-67.2	-40.7	179.6	-60.1	-29.3	0	0	0	112.5	I187 A275 S276 S277 M282 L283	I187-F279 HydrophobicContact CG2-CD1 4.48Å; I187-F279 HydrophobicContact CG2-CE1 3.51Å; I187-F279 HydrophobicContact CG2-CZ 4.1Å; A275-F279 HydrophobicContact CB-CE2 4.09Å; A275-F279 HydrophobicContact CB-CZ 4.4Å; A275-F279 VanDerWaalsContact O-CD2 3.25Å; A275-F279 WeakPolarHBondContact O-CD2 3.48Å; A275-F279 WeakPolarHBondContact O-CG 3.43Å; A275-F279 PolarHBondContact O-N 3.44Å; S276-F279 PolarHBondContact O-N 3.15Å; S277-F279 PolarHBondContact O-N 3Å; F279-M282 PolarHBondContact O-N 3.35Å; F279-L283 VanDerWaalsContact O-CB 3.28Å; F279-L283 WeakPolarHBondContact O-CB 3.4Å; F279-L283 PolarHBondContact O-N 3.35Å
280	K	81.1	Confident	79.1	Confident	46 Å²	46	68.9 Å²	68.9	20%	0.2	36%	0.355	C	S	.	.	H	α-helix	trans	-60	-45.2	172.8	-70.1	174.8	176.5	178.3	0	111.4	S276 S277 L283 N284 L309 D310	S276-K280 WeakPolarHBondContact O-CB 3.47Å; S276-K280 VanDerWaalsContact O-CG 3.24Å; S276-K280 WeakPolarHBondContact O-CG 3.45Å; S276-K280 PolarHBondContact O-N 3.19Å; S277-K280 PolarHBondContact O-N 2.98Å; K280-L283 PolarHBondContact O-N 2.99Å; K280-N284 WeakPolarHBondContact O-CB 3.43Å; K280-N284 PolarHBondContact O-N 3.31Å; K280-N284 PolarHBondContact O-ND2 3.27Å; K280-L309 HydrophobicContact CB-CD2 4Å; K280-L309 HydrophobicContact CG-CD2 3.72Å; K280-D310 IonicContact NZ-OD2 3.22Å; K280-D310 PolarHBondContact NZ-OD2 3.12Å
281	K	79.1	Confident	79.3	Confident	126 Å²	126	67.5 Å²	67.5	55%	0.548	35%	0.347	S	S	.	.	H	α-helix	trans	-65.3	-42.2	176.5	-74.5	175.9	179.7	174.1	0	112.8	S277 K278 K285	S277-K281 WeakPolarHBondContact O-CB 3.29Å; S277-K281 WeakPolarHBondContact O-CG 3.36Å; S277-K281 PolarHBondContact O-N 2.79Å; K278-K281 PolarHBondContact O-N 3.1Å; K281-K285 WeakPolarHBondContact O-CB 3.48Å; K281-K285 PolarHBondContact O-N 2.98Å; K281-K285 VanDerWaalsContact O-N 3.08Å
282	M	81.9	Confident	79.7	Confident	90 Å²	90	73.8 Å²	73.8	44%	0.443	38%	0.38	S	S	.	.	H	α-helix	trans	-61.7	-48.1	173.6	-73.3	176	65.8	0	0	111.1	K278 F279 K285 E286	K278-M282 HydrophobicContact CG-SD 4.1Å; K278-M282 WeakPolarHBondContact O-CB 3.24Å; K278-M282 VanDerWaalsContact O-CG 3.31Å; K278-M282 WeakPolarHBondContact O-CG 3.39Å; K278-M282 PolarHBondContact O-N 2.87Å; F279-M282 PolarHBondContact O-N 3.35Å; M282-K285 PolarHBondContact O-N 2.87Å; M282-E286 PolarHBondContact O-N 3.09Å
283	L	84.5	Confident	79.8	Confident	62 Å²	62	74.3 Å²	74.3	33%	0.325	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-46.1	179.1	-175.9	57.3	0	0	0	111.6	F279 K280 K285 E286 L287 I304 L309	F279-L283 VanDerWaalsContact O-CB 3.28Å; F279-L283 WeakPolarHBondContact O-CB 3.4Å; F279-L283 PolarHBondContact O-N 3.35Å; K280-L283 PolarHBondContact O-N 2.99Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 3.5Å; L283-E286 PolarHBondContact O-N 3.07Å; L283-L287 HydrophobicContact CD1-CD1 3.94Å; L283-L287 HydrophobicContact CD1-CD2 4.31Å; L283-L287 HydrophobicContact CD1-CG 3.87Å; L283-L287 HydrophobicContact CD2-CD1 4.46Å; L283-L287 HydrophobicContact CG-CD1 3.77Å; L283-L287 HydrophobicContact CG-CG 4.14Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 VanDerWaalsContact O-CG 3.24Å; L283-L287 WeakPolarHBondContact O-CG 3.2Å; L283-L287 PolarHBondContact O-N 3.45Å; L283-I304 HydrophobicContact CD2-CG2 4.19Å; L283-L309 HydrophobicContact CD2-CD2 4.07Å
284	N	79.9	Confident	80.1	Confident	56 Å²	56	71.7 Å²	71.7	30%	0.299	38%	0.382	S	S	.	.	H	α-helix	trans	-55.9	-40.1	174.1	-86.6	-33.9	0	0	0	112.7	K280 S288 L309	K280-N284 WeakPolarHBondContact O-CB 3.43Å; K280-N284 PolarHBondContact O-N 3.31Å; K280-N284 PolarHBondContact O-ND2 3.27Å; N284-S288 WeakPolarHBondContact O-CB 3.27Å; N284-S288 PolarHBondContact O-N 3.46Å; N284-S288 PolarHBondContact O-OG 2.7Å; N284-L309 WeakPolarHBondContact OD1-CD1 3.27Å
285	K	82.5	Confident	80.6	Confident	136 Å²	136	75 Å²	75	59%	0.591	40%	0.396	S	S	*	.	H	α-helix	trans	-67.3	-43	178.2	-171.4	-169.3	171.8	-167.7	0	112.2	K281 M282 L283 Q289	K281-K285 WeakPolarHBondContact O-CB 3.48Å; K281-K285 PolarHBondContact O-N 2.98Å; K281-K285 VanDerWaalsContact O-N 3.08Å; M282-K285 PolarHBondContact O-N 2.87Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 3.5Å; K285-Q289 WeakPolarHBondContact O-CG 3.43Å; K285-Q289 PolarHBondContact O-N 3.03Å; K285-Q289 PolarHBondContact O-NE2 3.2Å
286	E	84.5	Confident	80.9	Confident	114 Å²	114	78.5 Å²	78.5	53%	0.533	42%	0.42	S	S	.	.	H	α-helix	trans	-67.2	-43.9	175.8	-64.9	-54.7	145	0	0	111.5	M282 L283 S288 Q289 F290	M282-E286 PolarHBondContact O-N 3.09Å; L283-E286 PolarHBondContact O-N 3.07Å; E286-S288 PolarHBondContact O-N 2.88Å; E286-Q289 PolarHBondContact O-N 3.19Å; E286-F290 WeakPolarHBondContact O-CB 3.47Å; E286-F290 PolarHBondContact O-N 3.4Å
287	L	83.6	Confident	81.2	Confident	12 Å²	12	76.7 Å²	76.7	6%	0.063	41%	0.408	C	S	.	.	H	α-helix	trans	-65.4	-36.2	178.9	-69.1	-179.9	0	0	0	112.8	L283 F290 A291 S301 I304 C305	L283-L287 HydrophobicContact CD1-CD1 3.94Å; L283-L287 HydrophobicContact CD1-CD2 4.31Å; L283-L287 HydrophobicContact CD1-CG 3.87Å; L283-L287 HydrophobicContact CD2-CD1 4.46Å; L283-L287 HydrophobicContact CG-CD1 3.77Å; L283-L287 HydrophobicContact CG-CG 4.14Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 VanDerWaalsContact O-CG 3.24Å; L283-L287 WeakPolarHBondContact O-CG 3.2Å; L283-L287 PolarHBondContact O-N 3.45Å; L287-F290 CarbonylContact O-C 3.57Å; L287-F290 PolarHBondContact O-N 2.83Å; L287-A291 WeakPolarHBondContact O-CB 3.49Å; L287-A291 PolarHBondContact O-N 3.06Å; L287-S301 PolarHBondContact O-OG 2.94Å; L287-I304 HydrophobicContact CD1-CB 3.97Å; L287-I304 HydrophobicContact CD1-CG2 3.59Å; L287-I304 HydrophobicContact CD2-CB 4.26Å; L287-I304 HydrophobicContact CD2-CD1 3.85Å; L287-I304 HydrophobicContact CD2-CG2 4.24Å; L287-C305 VanDerWaalsContact CD1-SG 3.5Å
288	S	79.1	Confident	81.6	Confident	72 Å²	72	79.7 Å²	79.7	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-62	-48.1	174.1	-58.5	0	0	0	0	111.3	N284 E286 F290 A291 D292	N284-S288 WeakPolarHBondContact O-CB 3.27Å; N284-S288 PolarHBondContact O-N 3.46Å; N284-S288 PolarHBondContact O-OG 2.7Å; E286-S288 PolarHBondContact O-N 2.88Å; S288-F290 VanDerWaalsContact C-N 3.25Å; S288-F290 PolarHBondContact O-N 3.21Å; S288-A291 PolarHBondContact O-N 3.37Å; S288-D292 PolarHBondContact O-N 3.04Å
289	Q	81	Confident	82.1	Confident	105 Å²	105	83.4 Å²	83.4	49%	0.491	43%	0.434	S	S	.	.	H	α-helix	trans	-62.8	-32.4	174.7	-69.2	168.6	94.5	0	0	112.3	K285 E286	K285-Q289 WeakPolarHBondContact O-CG 3.43Å; K285-Q289 PolarHBondContact O-N 3.03Å; K285-Q289 PolarHBondContact O-NE2 3.2Å; E286-Q289 PolarHBondContact O-N 3.19Å
290	F	80.1	Confident	82.3	Confident	93 Å²	93	82.8 Å²	82.8	41%	0.408	43%	0.434	S	S	.	.	H	α-helix	trans	-76.1	-31.3	177.4	-167.9	-111	0	0	0	113.1	E286 L287 S288 D292 A293 G297 I300	E286-F290 WeakPolarHBondContact O-CB 3.47Å; E286-F290 PolarHBondContact O-N 3.4Å; L287-F290 CarbonylContact O-C 3.57Å; L287-F290 PolarHBondContact O-N 2.83Å; S288-F290 VanDerWaalsContact C-N 3.25Å; S288-F290 PolarHBondContact O-N 3.21Å; F290-D292 VanDerWaalsContact C-N 3.3Å; F290-D292 PolarHBondContact O-N 3.3Å; F290-A293 WeakPolarHBondContact O-CB 3.38Å; F290-A293 PolarHBondContact O-N 3.21Å; F290-G297 WeakPolarHBondContact O-CA 3.5Å; F290-I300 HydrophobicContact CD1-CG2 4.39Å; F290-I300 HydrophobicContact CE1-CB 3.91Å; F290-I300 HydrophobicContact CE1-CD1 4.06Å; F290-I300 HydrophobicContact CE1-CG2 3.78Å; F290-I300 HydrophobicContact CZ-CD1 4.38Å
291	A	78.7	Confident	82.5	Confident	26 Å²	26	81.2 Å²	81.2	22%	0.215	43%	0.43	C	S	.	.	H	α-helix	trans	-64.6	-35.2	174.6	0	0	0	0	0	112	L287 S288 A293 G294 K298	L287-A291 WeakPolarHBondContact O-CB 3.49Å; L287-A291 PolarHBondContact O-N 3.06Å; S288-A291 PolarHBondContact O-N 3.37Å; A291-A293 PolarHBondContact O-N 3.16Å; A291-G294 PolarHBondContact O-N 3.36Å; A291-K298 HydrophobicContact CB-CB 4.46Å
292	D	80	Confident	82.8	Confident	147 Å²	147	80.2 Å²	80.2	79%	0.786	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.9	174.8	-68.1	-25.2	0	0	0	113.2	S288 F290 G294	S288-D292 PolarHBondContact O-N 3.04Å; F290-D292 VanDerWaalsContact C-N 3.3Å; F290-D292 PolarHBondContact O-N 3.3Å; D292-G294 PolarHBondContact O-N 3.39Å
293	A	77.2	Confident	83.1	Confident	80 Å²	80	82.6 Å²	82.6	66%	0.661	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-4.1	-179	0	0	0	0	0	114.4	F290 A291	F290-A293 WeakPolarHBondContact O-CB 3.38Å; F290-A293 PolarHBondContact O-N 3.21Å; A291-A293 PolarHBondContact O-N 3.16Å
294	G	81.8	Confident	83.3	Confident	31 Å²	31	81.6 Å²	81.6	32%	0.32	43%	0.426	S	S	.	.			trans	138.9	176.6	171	0	0	0	0	0	114.5	A291 D292 S296 G297 K298	A291-G294 PolarHBondContact O-N 3.36Å; D292-G294 PolarHBondContact O-N 3.39Å; G294-S296 VanDerWaalsContact C-N 3.28Å; G294-S296 PolarHBondContact O-N 3.29Å; G294-G297 WeakPolarHBondContact O-CA 3.42Å; G294-G297 PolarHBondContact O-N 3.14Å; G294-K298 PolarHBondContact O-N 3.39Å
295	Q	81.8	Confident	83.4	Confident	148 Å²	148	80.6 Å²	80.6	69%	0.692	42%	0.424	S	S	*	.	H	α-helix	trans	-58.3	-35.8	-175.3	-66.9	-66.7	-17.3	0	0	113.7	Q299	Q295-Q299 WeakPolarHBondContact O-CG 3.43Å; Q295-Q299 PolarHBondContact O-N 3.29Å
296	S	86.2	Confident	83.5	Confident	82 Å²	82	78.4 Å²	78.4	57%	0.573	43%	0.425	S	S	*	.	H	α-helix	trans	-67.8	-40.6	172.8	48.8	0	0	0	0	112.2	G294 K298 Q299 I300	G294-S296 VanDerWaalsContact C-N 3.28Å; G294-S296 PolarHBondContact O-N 3.29Å; S296-K298 VanDerWaalsContact C-N 3.34Å; S296-Q299 PolarHBondContact O-N 2.91Å; S296-I300 WeakPolarHBondContact O-CB 3.46Å; S296-I300 WeakPolarHBondContact O-CD1 3.47Å; S296-I300 VanDerWaalsContact O-CG1 3.26Å; S296-I300 WeakPolarHBondContact O-CG1 3.36Å; S296-I300 PolarHBondContact O-N 3.15Å
297	G	84.7	Confident	83.6	Confident	2 Å²	2	76.2 Å²	76.2	2%	0.021	42%	0.42	C	S	.	.	H	α-helix	trans	-60	-44.4	174.3	0	0	0	0	0	111.8	F290 G294 I300 S301	F290-G297 WeakPolarHBondContact O-CA 3.5Å; G294-G297 WeakPolarHBondContact O-CA 3.42Å; G294-G297 PolarHBondContact O-N 3.14Å; G297-I300 PolarHBondContact O-N 3.29Å; G297-S301 WeakPolarHBondContact O-CB 3.21Å; G297-S301 PolarHBondContact O-N 2.91Å
298	K	86.4	Confident	83.7	Confident	99 Å²	99	82 Å²	82	43%	0.43	44%	0.444	S	S	.	.	H	α-helix	trans	-60.2	-49.3	173.9	-178.2	173.1	173.8	174.4	0	112.8	A291 G294 S296 I300 S301 E302	A291-K298 HydrophobicContact CB-CB 4.46Å; G294-K298 PolarHBondContact O-N 3.39Å; S296-K298 VanDerWaalsContact C-N 3.34Å; K298-I300 VanDerWaalsContact C-N 3.33Å; K298-I300 PolarHBondContact O-N 3.03Å; K298-S301 WeakPolarHBondContact O-CB 3.27Å; K298-S301 PolarHBondContact O-N 2.97Å; K298-E302 WeakPolarHBondContact CE-OE1 3.47Å; K298-E302 HydrophobicContact CG-CG 4.46Å; K298-E302 IonicContact NZ-OE1 3.89Å; K298-E302 WeakPolarHBondContact O-CG 3.31Å; K298-E302 PolarHBondContact O-N 3.44Å
299	Q	87	Confident	83.7	Confident	133 Å²	133	79.6 Å²	79.6	62%	0.621	43%	0.426	S	S	*	.	H	α-helix	trans	-60.7	-40.8	178.2	-75.1	177.2	-8	0	0	112.8	Q295 S296 E302 Y303	Q295-Q299 WeakPolarHBondContact O-CG 3.43Å; Q295-Q299 PolarHBondContact O-N 3.29Å; S296-Q299 PolarHBondContact O-N 2.91Å; Q299-E302 PolarHBondContact O-N 3.3Å; Q299-Y303 WeakPolarHBondContact O-CB 3.39Å; Q299-Y303 PolarHBondContact O-N 3.13Å
300	I	87.1	Confident	83.1	Confident	78 Å²	78	79.6 Å²	79.6	40%	0.4	43%	0.43	S	S	.	.	H	α-helix	trans	-67.5	-41.7	176.6	-68.4	164.4	0	0	0	110.4	F290 S296 G297 K298 Y303 I304	F290-I300 HydrophobicContact CD1-CG2 4.39Å; F290-I300 HydrophobicContact CE1-CB 3.91Å; F290-I300 HydrophobicContact CE1-CD1 4.06Å; F290-I300 HydrophobicContact CE1-CG2 3.78Å; F290-I300 HydrophobicContact CZ-CD1 4.38Å; S296-I300 WeakPolarHBondContact O-CB 3.46Å; S296-I300 WeakPolarHBondContact O-CD1 3.47Å; S296-I300 VanDerWaalsContact O-CG1 3.26Å; S296-I300 WeakPolarHBondContact O-CG1 3.36Å; S296-I300 PolarHBondContact O-N 3.15Å; G297-I300 PolarHBondContact O-N 3.29Å; K298-I300 VanDerWaalsContact C-N 3.33Å; K298-I300 PolarHBondContact O-N 3.03Å; I300-Y303 PolarHBondContact O-N 2.74Å; I300-I304 HydrophobicContact CG2-CD1 3.66Å; I300-I304 HydrophobicContact CG2-CG1 4.37Å; I300-I304 VanDerWaalsContact O-CG1 3.28Å; I300-I304 WeakPolarHBondContact O-CG1 3.44Å; I300-I304 PolarHBondContact O-N 3.46Å
301	S	86.4	Confident	82.2	Confident	14 Å²	14	79.9 Å²	79.9	10%	0.098	44%	0.443	C	S	.	.	H	α-helix	trans	-59.2	-48.1	173.8	-179.9	0	0	0	0	111.6	L287 G297 K298 Y303 I304 C305	L287-S301 PolarHBondContact O-OG 2.94Å; G297-S301 WeakPolarHBondContact O-CB 3.21Å; G297-S301 PolarHBondContact O-N 2.91Å; K298-S301 WeakPolarHBondContact O-CB 3.27Å; K298-S301 PolarHBondContact O-N 2.97Å; S301-Y303 PolarHBondContact O-N 2.68Å; S301-I304 PolarHBondContact O-N 3Å; S301-C305 VanDerWaalsContact O-CB 3.3Å; S301-C305 WeakPolarHBondContact O-CB 3.39Å; S301-C305 PolarHBondContact O-N 2.82Å; S301-C305 PolarHBondContact O-SG 3.02Å
302	E	85	Confident	81	Confident	105 Å²	105	85 Å²	85	49%	0.491	46%	0.461	S	S	.	.	H	α-helix	trans	-59.6	-45.8	177.4	-74.1	172.4	175.4	0	0	111.4	K298 Q299 C305 S306	K298-E302 WeakPolarHBondContact CE-OE1 3.47Å; K298-E302 HydrophobicContact CG-CG 4.46Å; K298-E302 IonicContact NZ-OE1 3.89Å; K298-E302 WeakPolarHBondContact O-CG 3.31Å; K298-E302 PolarHBondContact O-N 3.44Å; Q299-E302 PolarHBondContact O-N 3.3Å; E302-C305 PolarHBondContact O-N 3.39Å; E302-S306 WeakPolarHBondContact O-CB 3.23Å; E302-S306 PolarHBondContact O-N 3.37Å; E302-S306 PolarHBondContact O-OG 2.87Å; E302-S306 VanDerWaalsContact O-OG 3.05Å
303	Y	87.8	Confident	79.5	Confident	140 Å²	140	83.5 Å²	83.5	55%	0.549	45%	0.449	S	S	.	.	H	α-helix	trans	-61.5	-45.7	176.2	171.9	-110.2	0	0	0	113	Q299 I300 S301 S306 T307	Q299-Y303 WeakPolarHBondContact O-CB 3.39Å; Q299-Y303 PolarHBondContact O-N 3.13Å; I300-Y303 PolarHBondContact O-N 2.74Å; S301-Y303 PolarHBondContact O-N 2.68Å; Y303-S306 PolarHBondContact O-N 2.96Å; Y303-S306 PolarHBondContact O-OG 3.42Å; Y303-T307 VanDerWaalsContact CE2-OG1 3.32Å; Y303-T307 WeakPolarHBondContact CE2-OG1 3.49Å; Y303-T307 WeakPolarHBondContact O-CB 3.49Å; Y303-T307 PolarHBondContact O-N 2.6Å; Y303-T307 VanDerWaalsContact O-N 3.09Å; Y303-T307 PolarHBondContact O-OG1 2.75Å
304	I	87.6	Confident	77.5	Confident	40 Å²	40	86.5 Å²	86.5	21%	0.205	45%	0.454	C	S	.	.	H	α-helix	trans	-67.7	-44.9	-179.5	-65.5	168.7	0	0	0	110.1	L283 L287 I300 S301 S306 T307 F308	L283-I304 HydrophobicContact CD2-CG2 4.19Å; L287-I304 HydrophobicContact CD1-CB 3.97Å; L287-I304 HydrophobicContact CD1-CG2 3.59Å; L287-I304 HydrophobicContact CD2-CB 4.26Å; L287-I304 HydrophobicContact CD2-CD1 3.85Å; L287-I304 HydrophobicContact CD2-CG2 4.24Å; I300-I304 HydrophobicContact CG2-CD1 3.66Å; I300-I304 HydrophobicContact CG2-CG1 4.37Å; I300-I304 VanDerWaalsContact O-CG1 3.28Å; I300-I304 WeakPolarHBondContact O-CG1 3.44Å; I300-I304 PolarHBondContact O-N 3.46Å; S301-I304 PolarHBondContact O-N 3Å; I304-S306 PolarHBondContact O-N 3.13Å; I304-T307 PolarHBondContact O-N 3.24Å; I304-F308 HydrophobicContact CB-CD2 4.41Å; I304-F308 HydrophobicContact CG2-CD2 3.96Å; I304-F308 PolarHBondContact O-N 2.78Å
305	C	83.1	Confident	75.7	Confident	36 Å²	36	86.6 Å²	86.6	24%	0.243	45%	0.447	C	S	.	.	H	α-helix	trans	-61	-43	176.4	-71	0	0	0	0	112.2	L287 S301 E302 T307 L309	L287-C305 VanDerWaalsContact CD1-SG 3.5Å; S301-C305 VanDerWaalsContact O-CB 3.3Å; S301-C305 WeakPolarHBondContact O-CB 3.39Å; S301-C305 PolarHBondContact O-N 2.82Å; S301-C305 PolarHBondContact O-SG 3.02Å; E302-C305 PolarHBondContact O-N 3.39Å; C305-T307 VanDerWaalsContact C-N 3.3Å; C305-T307 PolarHBondContact O-N 2.96Å; C305-L309 HydrophobicContact CB-CD1 4.21Å; C305-L309 WeakPolarHBondContact O-CB 3.5Å; C305-L309 PolarHBondContact O-N 3.32Å
306	S	83.9	Confident	73.5	Confident	89 Å²	89	82.8 Å²	82.8	62%	0.622	44%	0.435	S	S	*	.	H	α-helix	trans	-73.4	-19.9	-179.9	65.9	0	0	0	0	114.2	E302 Y303 I304	E302-S306 WeakPolarHBondContact O-CB 3.23Å; E302-S306 PolarHBondContact O-N 3.37Å; E302-S306 PolarHBondContact O-OG 2.87Å; E302-S306 VanDerWaalsContact O-OG 3.05Å; Y303-S306 PolarHBondContact O-N 2.96Å; Y303-S306 PolarHBondContact O-OG 3.42Å; I304-S306 PolarHBondContact O-N 3.13Å
307	T	86.5	Confident	71.4	Confident	69 Å²	69	81.9 Å²	81.9	42%	0.423	42%	0.423	S	S	.	.	H	α-helix	trans	-102.8	-36	-173.4	-51.9	0	0	0	0	113.2	Y303 I304 C305	Y303-T307 VanDerWaalsContact CE2-OG1 3.32Å; Y303-T307 WeakPolarHBondContact CE2-OG1 3.49Å; Y303-T307 WeakPolarHBondContact O-CB 3.49Å; Y303-T307 PolarHBondContact O-N 2.6Å; Y303-T307 VanDerWaalsContact O-N 3.09Å; Y303-T307 PolarHBondContact O-OG1 2.75Å; I304-T307 PolarHBondContact O-N 3.24Å; C305-T307 VanDerWaalsContact C-N 3.3Å; C305-T307 PolarHBondContact O-N 2.96Å
308	F	86.5	Confident	69.1	Low	132 Å²	132	86.8 Å²	86.8	58%	0.579	45%	0.453	S	S	*	.	H	α-helix	trans	-118.8	-2.7	-170.6	-57.1	-76.8	0	0	0	114.5	I304	I304-F308 HydrophobicContact CB-CD2 4.41Å; I304-F308 HydrophobicContact CG2-CD2 3.96Å; I304-F308 PolarHBondContact O-N 2.78Å
309	L	78.2	Confident	66.3	Low	22 Å²	22	87.2 Å²	87.2	12%	0.115	46%	0.464	C	S	.	.	S	Bend	trans	-117.9	125.9	176.1	-58.5	178	0	0	0	110.7	K280 L283 N284 C305 S311	K280-L309 HydrophobicContact CB-CD2 4Å; K280-L309 HydrophobicContact CG-CD2 3.72Å; L283-L309 HydrophobicContact CD2-CD2 4.07Å; N284-L309 WeakPolarHBondContact OD1-CD1 3.27Å; C305-L309 HydrophobicContact CB-CD1 4.21Å; C305-L309 WeakPolarHBondContact O-CB 3.5Å; C305-L309 PolarHBondContact O-N 3.32Å; L309-S311 PolarHBondContact O-N 3.36Å
310	D	69.9	Low	63.5	Low	106 Å²	106	85.9 Å²	85.9	57%	0.567	47%	0.465	S	S	*	.			trans	-62.4	126.3	172.1	-59.2	-56.5	0	0	0	110.2	K280 K312	K280-D310 IonicContact NZ-OD2 3.22Å; K280-D310 PolarHBondContact NZ-OD2 3.12Å; D310-K312 HydrophobicContact CB-CG 4.38Å; D310-K312 PolarHBondContact O-N 3.04Å
311	S	60.8	Low	60.6	Low	99 Å²	99	86.9 Å²	86.9	69%	0.692	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-70.2	12	179.8	-43.6	0	0	0	0	114.4	L309 E313	L309-S311 PolarHBondContact O-N 3.36Å; S311-E313 VanDerWaalsContact C-N 3.31Å; S311-E313 PolarHBondContact O-N 3.29Å
312	K	52.7	Low	57.8	Low	134 Å²	134	95.4 Å²	95.4	58%	0.583	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-66.8	-25.3	-169.4	-72.2	-163.7	176.9	-161.3	0	114.3	D310 R693	D310-K312 HydrophobicContact CB-CG 4.38Å; D310-K312 PolarHBondContact O-N 3.04Å; K312-R693 PolarHBondContact O-NH1 3.2Å; K312-R693 PolarHBondContact O-NH2 2.92Å
313	E	48.4	Very low	54.8	Low	115 Å²	115	96.5 Å²	96.5	54%	0.537	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-89.7	-8.9	-173.9	-68.7	-174.8	151.6	0	0	115.4	S311	S311-E313 VanDerWaalsContact C-N 3.31Å; S311-E313 PolarHBondContact O-N 3.29Å
314	N	36.7	Very low	51.9	Low	143 Å²	143	95.1 Å²	95.1	77%	0.765	55%	0.547	S	S	*	.			trans	-113.2	73.8	-178.1	-73.6	-41.2	0	0	0	112	P316	N314-P316 WeakPolarHBondContact O-CD 3.46Å
315	D	43.5	Very low	48.9	Very low	32 Å²	32	99.9 Å²	99.9	17%	0.171	58%	0.577	C	S	.	*			trans	-87.5	114.1	165.8	-161.4	-29.3	0	0	0	110.3	L317	D315-L317 PolarHBondContact O-N 2.85Å; D315-L317 WeakPolarHBondContact OD1-CB 3.49Å; D315-L317 PolarHBondContact OD1-N 3.45Å; D315-L317 VanDerWaalsContact OD1-N 3.11Å
316	P	35.4	Very low	46.2	Very low	68 Å²	68	106.1 Å²	106.1	44%	0.442	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-81.6	12.3	-176.6	-0.1	18.7	0	0	0	113.4	N314 T318 T319 K686	N314-P316 WeakPolarHBondContact O-CD 3.46Å; P316-T318 VanDerWaalsContact C-N 3.27Å; P316-T318 PolarHBondContact O-N 3.22Å; P316-T319 PolarHBondContact O-OG1 3.33Å; P316-K686 VanDerWaalsContact C-NZ 3.26Å; P316-K686 PolarHBondContact O-NZ 2.81Å
317	L	42	Very low	43.5	Very low	63 Å²	63	107 Å²	107	33%	0.33	61%	0.613	S	S	.	*	G	3₁₀ helix	trans	-72.3	-13.5	178.5	-84.9	161.6	0	0	0	114.4	D315 T319 L619 S690	D315-L317 PolarHBondContact O-N 2.85Å; D315-L317 WeakPolarHBondContact OD1-CB 3.49Å; D315-L317 PolarHBondContact OD1-N 3.45Å; D315-L317 VanDerWaalsContact OD1-N 3.11Å; L317-T319 PolarHBondContact O-N 3.29Å; L317-L619 HydrophobicContact CD1-CD2 4.31Å; L317-S690 WeakPolarHBondContact CD1-OG 3.48Å
318	T	36.2	Very low	40.6	Very low	106 Å²	106	111.9 Å²	111.9	65%	0.65	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-77.1	-1.2	173	47.8	0	0	0	0	114.6	P316	P316-T318 VanDerWaalsContact C-N 3.27Å; P316-T318 PolarHBondContact O-N 3.22Å
319	T	27.1	Very low	37.9	Very low	108 Å²	108	113.5 Å²	113.5	66%	0.663	65%	0.645	S	S	*	*			trans	-119	72.3	176.6	57.8	0	0	0	0	112.1	P316 L317	P316-T319 PolarHBondContact O-OG1 3.33Å; L317-T319 PolarHBondContact O-N 3.29Å
320	T	27.9	Very low	35.3	Very low	104 Å²	104	120.3 Å²	120.3	64%	0.638	68%	0.682	S	S	*	*	S	Bend	trans	-149.9	129.2	162.5	-40.1	0	0	0	0	111.8
321	S	27.2	Very low	33.4	Very low	99 Å²	99	122.1 Å²	122.1	69%	0.692	70%	0.697	S	S	*	*			trans	62.1	63.6	164.4	48.6	0	0	0	0	120.4
322	H	27.7	Very low	31.8	Very low	194 Å²	194	126.8 Å²	126.8	90%	0.898	71%	0.707	S	S	*	*				-124.7	95	126.3	-97.8	-76.1	0	0	0	109.2	S324	H322-S324 PolarHBondContact O-N 2.94Å; H322-S324 VanDerWaalsContact O-N 3.09Å
323	S	22.8	Very low	30.6	Very low	127 Å²	127	123.8 Å²	123.8	89%	0.888	72%	0.715	S	S	*	*			trans	-75.7	95.3	175.5	-68.4	0	0	0	0	110.5
324	S	26.4	Very low	29.6	Very low	111 Å²	111	126.4 Å²	126.4	78%	0.776	73%	0.73	S	S	*	*			trans	-116.8	117.6	158.1	58.4	0	0	0	0	109.3	H322	H322-S324 PolarHBondContact O-N 2.94Å; H322-S324 VanDerWaalsContact O-N 3.09Å
325	V	24.3	Very low	28.9	Very low	140 Å²	140	127.8 Å²	127.8	85%	0.848	73%	0.734	S	S	*	*			trans	-67.4	127.1	179.1	175.2	0	0	0	0	109.3
326	I	27.2	Very low	28.2	Very low	167 Å²	167	132.1 Å²	132.1	86%	0.856	77%	0.767	S	S	*	*			trans	-152	138.9	145.7	-96	135.1	0	0	0	109.2
327	S	26.9	Very low	27.7	Very low	109 Å²	109	137 Å²	137	76%	0.762	79%	0.789	S	S	*	*			trans	-72.7	157.1	-172.4	-165.4	0	0	0	0	113.1
328	H	24.7	Very low	27.1	Very low	171 Å²	171	139.4 Å²	139.4	79%	0.792	81%	0.812	S	S	*	*			trans	-58.8	140.2	169.4	-63.1	8	0	0	0	111.4
329	N	29.8	Very low	26.7	Very low	166 Å²	166	141 Å²	141	89%	0.888	82%	0.815	S	S	*	*			trans	-161.5	128.2	140.9	-96.4	-30.6	0	0	0	110.5
330	N	24.6	Very low	26.7	Very low	165 Å²	165	142.3 Å²	142.3	88%	0.882	82%	0.818	S	S	*	*			trans	-73.5	132.7	177.3	-72.5	-34.9	0	0	0	111.2
331	T	29.7	Very low	26.9	Very low	143 Å²	143	146 Å²	146	88%	0.877	83%	0.825	S	S	*	*			trans	-159.6	141.2	144.6	-8.6	0	0	0	0	112.1
332	H	25.8	Very low	26.8	Very low	198 Å²	198	149 Å²	149	92%	0.917	83%	0.833	S	S	*	*			trans	-63.6	147.7	175.1	-76	-101	0	0	0	112.5
333	G	27.8	Very low	27	Very low	71 Å²	71	147.2 Å²	147.2	73%	0.732	83%	0.829	S	S	*	*			trans	168.9	85.8	163.8	0	0	0	0	0	117.7
334	I	28.7	Very low	27.2	Very low	169 Å²	169	149.4 Å²	149.4	87%	0.867	83%	0.827	S	S	*	*			trans	40.9	131.6	135.2	-55.9	173.4	0	0	0	120.2
335	M	21.9	Very low	27.4	Very low	172 Å²	172	151.6 Å²	151.6	85%	0.847	83%	0.828	S	S	*	*			trans	-41.5	146.1	171.8	-55.9	157.4	70.1	0	0	116.6
336	S	27.6	Very low	27.6	Very low	123 Å²	123	151 Å²	151	86%	0.86	82%	0.821	S	S	*	*				178.9	142.5	122.5	-79.2	0	0	0	0	113.6
337	N	24.7	Very low	27.9	Very low	171 Å²	171	149.6 Å²	149.6	91%	0.914	81%	0.814	S	S	*	*			trans	-82	135.8	172	-69.8	-25.3	0	0	0	111.7
338	S	31.3	Very low	28.2	Very low	114 Å²	114	151.5 Å²	151.5	80%	0.797	81%	0.811	S	S	*	*			trans	-165.6	105.6	144.9	-173.7	0	0	0	0	113.9
339	I	26.2	Very low	28.7	Very low	140 Å²	140	150.2 Å²	150.2	72%	0.718	81%	0.81	S	S	*	*			trans	7	136.8	131.3	-67	164.4	0	0	0	118.5
340	N	28.7	Very low	28.7	Very low	135 Å²	135	149.1 Å²	149.1	72%	0.722	80%	0.804	S	S	*	*			trans	113.8	126.9	142.2	-92.6	-25.7	0	0	0	122.3
341	K	31.6	Very low	29.3	Very low	182 Å²	182	146.8 Å²	146.8	79%	0.791	80%	0.798	S	S	*	*			trans	93	119.4	137.2	-77.3	174	177.8	178.6	0	122
342	D	25.3	Very low	29.4	Very low	160 Å²	160	145.2 Å²	145.2	86%	0.856	79%	0.793	S	S	*	*			trans	-63.1	141	159.7	-45.9	-85.3	0	0	0	113.1
343	I	31.5	Very low	29.6	Very low	158 Å²	158	145.1 Å²	145.1	81%	0.81	79%	0.793	S	S	*	*			trans	-141	117.5	154.2	-64.5	-174.1	0	0	0	108.4
344	M	26.2	Very low	29.7	Very low	173 Å²	173	151 Å²	151	85%	0.852	80%	0.803	S	S	*	*			trans	-72.1	153.2	164.4	-67.1	177.6	168.2	0	0	110.9
345	I	32.1	Very low	29.6	Very low	156 Å²	156	149.8 Å²	149.8	80%	0.8	80%	0.799	S	S	*	*			trans	-154.9	142.5	140.1	-98.5	140	0	0	0	110.3
346	N	27.2	Very low	29.9	Very low	129 Å²	129	148 Å²	148	69%	0.69	80%	0.798	S	S	*	*			trans	-70.8	167.2	-172.4	-48.4	-48.4	0	0	0	114.2
347	N	33.4	Very low	29.8	Very low	136 Å²	136	147.5 Å²	147.5	73%	0.727	79%	0.793	S	S	*	*				-179.1	135.3	106.8	-87.6	-26.4	0	0	0	113.5
348	H	34.6	Very low	29.7	Very low	150 Å²	150	145.6 Å²	145.6	69%	0.694	79%	0.788	S	S	*	*			trans	51.9	136.8	142.3	-77.3	-88.4	0	0	0	120.3
349	D	33.7	Very low	29.7	Very low	143 Å²	143	145.2 Å²	145.2	77%	0.765	78%	0.782	S	S	*	*			cis	-148.7	180	30.7	-103.5	-44.4	0	0	0	115.8
350	N	31.3	Very low	29.6	Very low	144 Å²	144	143.6 Å²	143.6	77%	0.77	78%	0.784	S	S	*	*			trans	-86.3	168.8	-158	-92.1	-56.2	0	0	0	118.5
351	P	36.4	Very low	29.7	Very low	115 Å²	115	144.8 Å²	144.8	75%	0.747	79%	0.79	S	S	*	*			trans	-105.3	168.9	-167.7	41.5	-37.1	0	0	0	116.1
352	S	32.6	Very low	29.4	Very low	111 Å²	111	141.1 Å²	141.1	78%	0.776	79%	0.788	S	S	*	*			trans	-155.2	121.2	162.3	57.8	0	0	0	0	113.9
353	E	28.6	Very low	29.6	Very low	195 Å²	195	141.1 Å²	141.1	91%	0.911	79%	0.786	S	S	*	*			trans	26.6	119.6	149.6	-55.5	-177.6	151.1	0	0	121.6
354	M	29.8	Very low	29.3	Very low	194 Å²	194	142.2 Å²	142.2	96%	0.956	79%	0.785	S	S	*	*				-154.6	133.1	128.3	-143.2	171.6	-172.3	0	0	112.7
355	N	26.9	Very low	29.2	Very low	145 Å²	145	141.9 Å²	141.9	78%	0.775	79%	0.786	S	S	*	*			trans	-74.1	152.4	170.3	-61.9	-66.3	0	0	0	110.7
356	T	29.5	Very low	28.9	Very low	133 Å²	133	139.4 Å²	139.4	82%	0.816	78%	0.783	S	S	*	*				177.5	141.5	120.3	26.3	0	0	0	0	114.9
357	C	24.5	Very low	28.9	Very low	113 Å²	113	141.6 Å²	141.6	76%	0.764	79%	0.789	S	S	*	*			trans	49.9	118.1	144.9	-60.2	0	0	0	0	122.9
358	T	22.5	Very low	28.6	Very low	132 Å²	132	140.9 Å²	140.9	81%	0.81	79%	0.794	S	S	*	*			trans	-62.3	143.8	142.8	49.6	0	0	0	0	111.8
359	P	31.1	Very low	28.3	Very low	105 Å²	105	138.6 Å²	138.6	68%	0.682	79%	0.791	S	S	*	*				-134.5	133.8	117.2	20.7	-1.9	0	0	0	110.3
360	S	24.4	Very low	28.2	Very low	106 Å²	106	133.6 Å²	133.6	74%	0.741	77%	0.774	S	S	*	*				45.2	76.5	57.1	78.9	0	0	0	0	114
361	D	30.3	Very low	28.4	Very low	160 Å²	160	132.9 Å²	132.9	86%	0.856	77%	0.767	S	S	*	*			trans	-145.9	145.3	145.9	-105.3	-35.9	0	0	0	111.8
362	S	25.1	Very low	28.9	Very low	106 Å²	106	129.4 Å²	129.4	74%	0.741	74%	0.739	S	S	*	*			trans	-82.4	118.1	-166.6	55.4	0	0	0	0	113.1
363	I	29.6	Very low	29.5	Very low	159 Å²	159	127.3 Å²	127.3	82%	0.815	72%	0.719	S	S	*	*			trans	-106	117.9	155.3	-61.1	-179.4	0	0	0	107.3	N365	I363-N365 PolarHBondContact O-N 3.33Å
364	K	25.8	Very low	30.3	Very low	181 Å²	181	119.3 Å²	119.3	79%	0.787	68%	0.681	S	S	*	*			trans	-68.3	128.3	175.1	-66.7	175.2	179.7	175.9	0	108.3	S366	K364-S366 PolarHBondContact O-N 3.44Å
365	N	24.7	Very low	30.5	Very low	167 Å²	167	115.9 Å²	115.9	89%	0.893	66%	0.661	S	S	*	*			trans	-65.7	85.7	158.7	-70	-13	0	0	0	107.8	I363 E367	I363-N365 PolarHBondContact O-N 3.33Å; N365-E367 PolarHBondContact O-N 2.83Å
366	S	25.9	Very low	30.7	Very low	103 Å²	103	113.3 Å²	113.3	72%	0.72	65%	0.654	S	S	*	*			trans	-79.6	110.7	161.9	54.3	0	0	0	0	107.3	K364 S368	K364-S366 PolarHBondContact O-N 3.44Å; S366-S368 PolarHBondContact O-N 3.42Å
367	E	25.5	Very low	30.9	Very low	176 Å²	176	112 Å²	112	82%	0.822	65%	0.646	S	S	*	*			trans	-48.5	114.6	166	-66	164.4	136.2	0	0	108.1	N365 T369	N365-E367 PolarHBondContact O-N 2.83Å; E367-T369 PolarHBondContact O-N 3.33Å; E367-T369 PolarHBondContact O-OG1 3.17Å
368	S	27.7	Very low	31	Very low	120 Å²	120	114 Å²	114	84%	0.839	64%	0.644	S	S	*	*			trans	-67	88.9	171.3	177.7	0	0	0	0	106.9	S366 G370	S366-S368 PolarHBondContact O-N 3.42Å; S368-G370 PolarHBondContact O-N 2.86Å
369	T	29.4	Very low	31.3	Very low	103 Å²	103	113.9 Å²	113.9	63%	0.632	65%	0.645	S	S	*	*			trans	-63.7	89.5	174.6	-56.7	0	0	0	0	106.5	E367 M371	E367-T369 PolarHBondContact O-N 3.33Å; E367-T369 PolarHBondContact O-OG1 3.17Å; T369-M371 VanDerWaalsContact C-N 3.3Å; T369-M371 PolarHBondContact O-N 3.03Å
370	G	30.1	Very low	31.3	Very low	38 Å²	38	112.2 Å²	112.2	39%	0.392	65%	0.648	S	S	.	*			trans	-60.3	98.4	172.3	0	0	0	0	0	107	S368 Y372	S368-G370 PolarHBondContact O-N 2.86Å; G370-Y372 WeakPolarHBondContact O-CD2 3.31Å; G370-Y372 PolarHBondContact O-N 3.5Å
371	M	36.3	Very low	31.5	Very low	128 Å²	128	114.9 Å²	114.9	63%	0.631	65%	0.649	S	S	*	*			trans	-59.4	110.2	-176.1	-94.5	-122.5	66.5	0	0	108.8	T369 L373	T369-M371 VanDerWaalsContact C-N 3.3Å; T369-M371 PolarHBondContact O-N 3.03Å; M371-L373 PolarHBondContact O-N 3.01Å
372	Y	46.6	Very low	31.2	Very low	43 Å²	43	115.3 Å²	115.3	17%	0.169	65%	0.649	C	S	.	*			trans	-56.8	125.8	159.2	-60.4	-98.2	0	0	0	107	G370 F374 E525 L528 K529 N556	G370-Y372 WeakPolarHBondContact O-CD2 3.31Å; G370-Y372 PolarHBondContact O-N 3.5Å; Y372-F374 VanDerWaalsContact CB-CD2 3.42Å; Y372-F374 VanDerWaalsContact CB-CE2 3.47Å; Y372-F374 HydrophobicContact CD1-CE2 4.01Å; Y372-F374 HydrophobicContact CG-CD2 4.37Å; Y372-F374 HydrophobicContact CG-CE2 4.07Å; Y372-F374 PolarHBondContact O-N 3.29Å; Y372-E525 HydrophobicContact CD1-CG 4.19Å; Y372-E525 HydrophobicContact CD2-CG 3.59Å; Y372-E525 WeakPolarHBondContact CD2-OE1 3.48Å; Y372-E525 HydrophobicContact CE2-CG 4.1Å; Y372-E525 HydrophobicContact CG-CB 4.48Å; Y372-E525 HydrophobicContact CG-CG 3.7Å; Y372-L528 HydrophobicContact CE1-CB 4.03Å; Y372-K529 HydrophobicContact CE1-CG 4.39Å; Y372-K529 HydrophobicContact CE2-CD 4.24Å; Y372-K529 HydrophobicContact CE2-CG 3.89Å; Y372-K529 WeakPolarHBondContact OH-CG 3.33Å; Y372-N556 VanDerWaalsContact CD1-OD1 3.23Å; Y372-N556 WeakPolarHBondContact CD1-OD1 3.46Å; Y372-N556 WeakPolarHBondContact CE1-OD1 3.39Å
373	L	45.6	Very low	31.4	Very low	66 Å²	66	115.1 Å²	115.1	35%	0.346	64%	0.638	S	S	.	*			trans	-75.9	64.1	-176.4	-166.4	74	0	0	0	111.4	M371 L575	M371-L373 PolarHBondContact O-N 3.01Å; L373-L575 HydrophobicContact CD2-CD1 4.49Å
374	F	44.2	Very low	31.1	Very low	27 Å²	27	116.2 Å²	116.2	12%	0.118	64%	0.64	C	S	.	*			trans	-110.4	101.5	174.4	-61.2	-47.4	0	0	0	109.3	Y372 I516 P521 L524 E525 L528	Y372-F374 VanDerWaalsContact CB-CD2 3.42Å; Y372-F374 VanDerWaalsContact CB-CE2 3.47Å; Y372-F374 HydrophobicContact CD1-CE2 4.01Å; Y372-F374 HydrophobicContact CG-CD2 4.37Å; Y372-F374 HydrophobicContact CG-CE2 4.07Å; Y372-F374 PolarHBondContact O-N 3.29Å; F374-I516 HydrophobicContact CE1-CB 4.34Å; F374-I516 HydrophobicContact CE1-CG2 4.17Å; F374-P521 HydrophobicContact CB-CB 3.59Å; F374-P521 HydrophobicContact CD1-CB 4.29Å; F374-P521 HydrophobicContact CD2-CB 4.5Å; F374-P521 HydrophobicContact CG-CB 3.89Å; F374-L524 HydrophobicContact CE1-CD2 3.54Å; F374-L524 HydrophobicContact CE1-CG 4.06Å; F374-L524 HydrophobicContact CE2-CG 4.36Å; F374-L524 HydrophobicContact CZ-CB 4.18Å; F374-L524 HydrophobicContact CZ-CD2 3.64Å; F374-L524 HydrophobicContact CZ-CG 3.61Å; F374-E525 HydrophobicContact CD2-CB 3.79Å; F374-E525 HydrophobicContact CD2-CG 4.43Å; F374-E525 HydrophobicContact CE2-CB 3.7Å; F374-E525 HydrophobicContact CE2-CG 4.42Å; F374-L528 HydrophobicContact CE2-CD1 4.44Å; F374-L528 HydrophobicContact CZ-CD1 3.96Å
375	K	34.8	Very low	31.1	Very low	123 Å²	123	113.8 Å²	113.8	54%	0.535	64%	0.641	S	S	.	*			trans	-120.8	115.3	168.5	-157.1	177.9	-176.8	-169.6	0	108.6	V377 I515	K375-V377 PolarHBondContact O-N 3.48Å; K375-I515 HydrophobicContact CB-CD1 4.24Å
376	S	31.1	Very low	31.1	Very low	91 Å²	91	112 Å²	112	64%	0.636	64%	0.636	S	S	*	*			trans	-59.1	118.2	167.9	-59	0	0	0	0	108.7
377	V	33.2	Very low	31	Very low	105 Å²	105	113 Å²	113	64%	0.636	64%	0.638	S	S	*	*			trans	-93.9	101.1	174.1	-179	0	0	0	0	108.2	K375 I515	K375-V377 PolarHBondContact O-N 3.48Å; V377-I515 HydrophobicContact CG2-CD1 3.67Å
378	E	27.5	Very low	31	Very low	155 Å²	155	111.2 Å²	111.2	72%	0.724	64%	0.639	S	S	*	*			trans	-65.7	139.8	161.1	-75	-73.4	154.9	0	0	109	G380	E378-G380 PolarHBondContact O-N 3.49Å
379	P	27.8	Very low	30.8	Very low	129 Å²	129	110.2 Å²	110.2	84%	0.838	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	93.7	-177.5	-14.1	29	0	0	0	111.9
380	G	32.2	Very low	30.6	Very low	71 Å²	71	112 Å²	112	73%	0.732	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	161.9	-13	168.6	0	0	0	0	0	119.7	E378	E378-G380 PolarHBondContact O-N 3.49Å
381	E	27.9	Very low	30.5	Very low	162 Å²	162	114.5 Å²	114.5	76%	0.757	65%	0.647	S	S	*	*			trans	-84.3	123	-175.4	-77.2	-162	138.2	0	0	114.4	I383	E381-I383 HydrophobicContact CB-CG1 4.47Å
382	I	24.9	Very low	29.9	Very low	168 Å²	168	117 Å²	117	86%	0.862	66%	0.662	S	S	*	*			trans	-92.1	111.3	168.2	-59.3	170.8	0	0	0	108.2
383	I	29	Very low	29.1	Very low	102 Å²	102	119.3 Å²	119.3	52%	0.523	68%	0.681	S	S	.	*			trans	-105.3	114.3	179	-58.6	-179.5	0	0	0	110.7	E381	E381-I383 HydrophobicContact CB-CG1 4.47Å
384	Q	23.1	Very low	28.2	Very low	183 Å²	183	123.7 Å²	123.7	86%	0.855	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-71.3	123.7	165.2	-69.3	177.3	-17.2	0	0	109.2
385	T	26.7	Very low	27.5	Very low	130 Å²	130	129.7 Å²	129.7	80%	0.798	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-100.1	122.6	173.5	-47.8	0	0	0	0	109.5
386	T	24.2	Very low	27.5	Very low	130 Å²	130	130.4 Å²	130.4	80%	0.798	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-76.2	125.4	-177.8	-32.6	0	0	0	0	110.7	T388	T386-T388 PolarHBondContact O-N 3.21Å
387	T	23.9	Very low	27.4	Very low	123 Å²	123	133.9 Å²	133.9	76%	0.755	76%	0.758	S	S	*	*			trans	-70.7	110.8	174.3	-6.7	0	0	0	0	110.5	T389	T387-T389 VanDerWaalsContact C-N 3.27Å; T387-T389 PolarHBondContact O-N 3.01Å
388	T	24	Very low	27.4	Very low	139 Å²	139	132.7 Å²	132.7	85%	0.853	77%	0.766	S	S	*	*			trans	-77	82.1	162.4	25.1	0	0	0	0	109.1	T386 T390	T386-T388 PolarHBondContact O-N 3.21Å; T388-T390 PolarHBondContact O-N 2.9Å
389	T	25.1	Very low	27.6	Very low	98 Å²	98	131.7 Å²	131.7	60%	0.601	77%	0.766	S	S	*	*			trans	-76.3	112.4	171.2	-46.8	0	0	0	0	109	T387 T391	T387-T389 VanDerWaalsContact C-N 3.27Å; T387-T389 PolarHBondContact O-N 3.01Å; T389-T391 HydrophobicContact CG2-CG2 3.61Å; T389-T391 PolarHBondContact O-N 2.76Å
390	T	25.1	Very low	27.9	Very low	142 Å²	142	131.8 Å²	131.8	87%	0.871	76%	0.764	S	S	*	*			trans	-74.4	75.2	170.2	-28.7	0	0	0	0	109.8	T388 L392	T388-T390 PolarHBondContact O-N 2.9Å; T390-L392 PolarHBondContact O-N 2.78Å
391	T	26.9	Very low	27.8	Very low	90 Å²	90	133.4 Å²	133.4	55%	0.552	76%	0.76	S	S	*	*			trans	-75.9	114.7	172.9	51.2	0	0	0	0	109.8	T389 T393	T389-T391 HydrophobicContact CG2-CG2 3.61Å; T389-T391 PolarHBondContact O-N 2.76Å; T391-T393 PolarHBondContact O-N 3.04Å
392	L	25.2	Very low	27.9	Very low	180 Å²	180	133.5 Å²	133.5	94%	0.942	76%	0.764	S	S	*	*			trans	-65.7	99	156.6	-72.4	165.9	0	0	0	107.4	T390	T390-L392 PolarHBondContact O-N 2.78Å
393	T	28.5	Very low	28.2	Very low	92 Å²	92	128.8 Å²	128.8	56%	0.564	76%	0.757	S	S	*	*			trans	-104.1	116.5	172.9	50.4	0	0	0	0	109.6	T391 N395	T391-T393 PolarHBondContact O-N 3.04Å; T393-N395 PolarHBondContact O-N 3.33Å
394	D	27.5	Very low	28.3	Very low	157 Å²	157	129.8 Å²	129.8	84%	0.84	77%	0.768	S	S	*	*			trans	-57.7	117.3	164.8	-67.1	-55.2	0	0	0	109.5
395	N	29.8	Very low	28.8	Very low	154 Å²	154	127.8 Å²	127.8	82%	0.824	77%	0.768	S	S	*	*			trans	-91.3	105.5	172.5	-77.9	-31.7	0	0	0	109	T393	T393-N395 PolarHBondContact O-N 3.33Å
396	I	33.9	Very low	29.2	Very low	138 Å²	138	124.8 Å²	124.8	71%	0.708	76%	0.763	S	S	*	*			trans	-123.6	132.5	169.2	-71.8	-179.2	0	0	0	109
397	D	29.2	Very low	29.7	Very low	164 Å²	164	125.6 Å²	125.6	88%	0.877	76%	0.762	S	S	*	*			trans	69.1	128.7	167.5	-59.7	-22.7	0	0	0	120.5
398	G	34.1	Very low	30.1	Very low	79 Å²	79	124.1 Å²	124.1	81%	0.814	76%	0.757	S	S	*	*			trans	178.5	39.1	-176.5	0	0	0	0	0	114.9
399	D	30.9	Very low	30.6	Very low	134 Å²	134	122.7 Å²	122.7	72%	0.717	75%	0.753	S	S	*	*			trans	15.2	122.4	158.8	-165.8	11.9	0	0	0	120.6
400	T	33.2	Very low	31	Very low	131 Å²	131	123.3 Å²	123.3	80%	0.804	76%	0.761	S	S	*	*			trans	-161.9	95.8	136.4	-66.7	0	0	0	0	111.6
401	T	30.4	Very low	31.5	Very low	106 Å²	106	121.9 Å²	121.9	65%	0.65	76%	0.757	S	S	*	*			trans	10.1	150.3	147.3	62.1	0	0	0	0	124.9
402	I	30.5	Very low	31.6	Very low	163 Å²	163	124.8 Å²	124.8	84%	0.836	77%	0.769	S	S	*	*			trans	108.9	89.6	148.8	-45.9	-171.1	0	0	0	118.9
403	G	30.3	Very low	32.1	Very low	70 Å²	70	124 Å²	124	72%	0.722	77%	0.765	S	S	*	*				90.3	151.1	127.8	0	0	0	0	0	120.3
404	V	31.3	Very low	32.3	Very low	123 Å²	123	124.4 Å²	124.4	75%	0.745	77%	0.768	S	S	*	*			cis	-160	137.3	-7.8	166.4	0	0	0	0	108.5
405	T	34.5	Very low	32.8	Very low	141 Å²	141	125.3 Å²	125.3	87%	0.865	77%	0.767	S	S	*	*			trans	57.8	150.2	169.9	54.7	0	0	0	0	117.6
406	G	34.1	Very low	33	Very low	67 Å²	67	122.8 Å²	122.8	69%	0.691	76%	0.758	S	S	*	*			cis	164.5	169.2	2.4	0	0	0	0	0	107.2
407	D	34.7	Very low	32.8	Very low	146 Å²	146	122.8 Å²	122.8	78%	0.781	76%	0.757	S	S	*	*			cis	-163	125.7	-5.9	-133.6	-111	0	0	0	108.1
408	S	33	Very low	33	Very low	92 Å²	92	123 Å²	123	64%	0.643	76%	0.759	S	S	*	*				87.3	150.2	106.1	72.5	0	0	0	0	119
409	S	35	Very low	32.7	Very low	110 Å²	110	123.8 Å²	123.8	77%	0.769	75%	0.752	S	S	*	*			trans	68.1	129	179.1	70.9	0	0	0	0	118.6
410	S	32.3	Very low	32.7	Very low	110 Å²	110	124.5 Å²	124.5	77%	0.769	76%	0.761	S	S	*	*			cis	100.5	113.1	16.4	79.6	0	0	0	0	116.4
411	S	35.5	Very low	32.4	Very low	112 Å²	112	123.7 Å²	123.7	78%	0.783	76%	0.756	S	S	*	*				166.4	119.8	125.6	62.7	0	0	0	0	115.9
412	N	30.4	Very low	32.3	Very low	151 Å²	151	125.4 Å²	125.4	81%	0.807	77%	0.766	S	S	*	*			trans	5.9	144.5	144	-52.2	-23.8	0	0	0	122.5
413	I	34.2	Very low	32.3	Very low	165 Å²	165	123.3 Å²	123.3	85%	0.846	76%	0.761	S	S	*	*				-176.7	140.6	111.4	-89.3	152.7	0	0	0	110.9
414	P	34.3	Very low	32	Very low	99 Å²	99	128.3 Å²	128.3	64%	0.643	77%	0.769	S	S	*	*			trans	-109.2	-171.6	-176.6	42.3	-36.3	0	0	0	115.5
415	H	36.6	Very low	31.9	Very low	176 Å²	176	125.5 Å²	125.5	82%	0.815	77%	0.766	S	S	*	*			trans	105.4	141.5	175.4	-65	-62.3	0	0	0	115.4
416	T	34.5	Very low	31.4	Very low	102 Å²	102	124.3 Å²	124.3	63%	0.626	76%	0.763	S	S	*	*			cis	-166	138.7	-3.6	-97	0	0	0	0	111.9
417	I	30.2	Very low	31.3	Very low	137 Å²	137	127.6 Å²	127.6	70%	0.703	77%	0.77	S	S	*	*			trans	46.4	121.9	152.7	-60.7	167.5	0	0	0	121.5
418	N	32.5	Very low	31	Very low	169 Å²	169	126.4 Å²	126.4	90%	0.904	77%	0.768	S	S	*	*				-157.1	138.6	119.3	-111.6	-17.4	0	0	0	112
419	S	27.5	Very low	30.8	Very low	95 Å²	95	130.5 Å²	130.5	66%	0.664	78%	0.779	S	S	*	*			trans	-105.9	144	-165.5	-55.4	0	0	0	0	114
420	T	31.8	Very low	30.5	Very low	149 Å²	149	132.2 Å²	132.2	91%	0.914	78%	0.78	S	S	*	*			trans	-149.8	127.1	143.2	-36	0	0	0	0	109.6
421	T	26.8	Very low	30.3	Very low	114 Å²	114	136.4 Å²	136.4	70%	0.699	78%	0.784	S	S	*	*			trans	-106	133.6	-168.6	-46.3	0	0	0	0	110.9
422	V	29	Very low	30.2	Very low	142 Å²	142	136.4 Å²	136.4	86%	0.861	78%	0.784	S	S	*	*			trans	-128.7	119.9	159.1	-178.5	0	0	0	0	108.5
423	T	28.9	Very low	30	Very low	119 Å²	119	136.3 Å²	136.3	73%	0.73	78%	0.783	S	S	*	*			trans	-89	124.2	-170	-52.1	0	0	0	0	111.2
424	I	25.4	Very low	29.6	Very low	175 Å²	175	132.7 Å²	132.7	90%	0.897	77%	0.772	S	S	*	*			trans	-89.4	111.5	164.1	-62.1	174.9	0	0	0	107.5
425	G	28	Very low	29.3	Very low	65 Å²	65	137.8 Å²	137.8	67%	0.67	78%	0.784	S	S	*	*			trans	-114.4	120.3	178.6	0	0	0	0	0	111.7
426	S	25.4	Very low	28.8	Very low	116 Å²	116	137.7 Å²	137.7	81%	0.811	79%	0.789	S	S	*	*			trans	-80.1	134.1	170.3	58.4	0	0	0	0	110.9
427	T	31.9	Very low	28.5	Very low	136 Å²	136	138.7 Å²	138.7	83%	0.834	80%	0.8	S	S	*	*			trans	-147.1	118.2	159.5	-41	0	0	0	0	111.8
428	T	27.2	Very low	28.4	Very low	120 Å²	120	137 Å²	137	74%	0.736	80%	0.8	S	S	*	*			trans	-72.1	137.1	171	-50	0	0	0	0	110.9
429	M	29.6	Very low	28.4	Very low	179 Å²	179	134.4 Å²	134.4	88%	0.882	80%	0.795	S	S	*	*			trans	-167.3	146.7	140.2	-110.8	-172.2	-64	0	0	113.2
430	N	28.7	Very low	28.5	Very low	145 Å²	145	138.3 Å²	138.3	78%	0.775	81%	0.808	S	S	*	*			trans	-100.8	170	-175.6	-71.6	-47.9	0	0	0	112.8
431	K	28.7	Very low	28.4	Very low	199 Å²	199	136.1 Å²	136.1	87%	0.865	80%	0.798	S	S	*	*			trans	78.8	101.1	160	-57.2	178.1	178.6	177.7	0	118.5
432	S	32	Very low	28.4	Very low	111 Å²	111	136.6 Å²	136.6	78%	0.776	80%	0.801	S	S	*	*				179.2	108.5	122.3	-79.5	0	0	0	0	108.8
433	L	27	Very low	28.3	Very low	150 Å²	150	138.4 Å²	138.4	79%	0.785	81%	0.805	S	S	*	*				90	100.6	74.8	-90.9	165.4	0	0	0	114.1
434	S	26.4	Very low	28.3	Very low	89 Å²	89	137.3 Å²	137.3	62%	0.622	80%	0.802	S	S	*	*			trans	44.5	107.6	133.5	64.4	0	0	0	0	119.8
435	K	27.2	Very low	28.5	Very low	206 Å²	206	137.2 Å²	137.2	90%	0.896	80%	0.803	S	S	*	*			trans	-177.6	151.7	130.2	-97.3	150.6	-172.9	178.7	0	109.2
436	L	26.9	Very low	28.5	Very low	174 Å²	174	143 Å²	143	91%	0.911	81%	0.81	S	S	*	*			trans	97.4	56.8	-176.5	-57.1	167	0	0	0	116.3
437	S	26.4	Very low	28.9	Very low	123 Å²	123	146.2 Å²	146.2	86%	0.86	81%	0.814	S	S	*	*			trans	-140.8	89.5	152	170.4	0	0	0	0	108.1
438	S	29.3	Very low	28.7	Very low	101 Å²	101	146.7 Å²	146.7	71%	0.706	81%	0.811	S	S	*	*			trans	-166.2	83.1	178.3	56	0	0	0	0	112
439	S	32.2	Very low	28.9	Very low	115 Å²	115	146 Å²	146	80%	0.804	81%	0.811	S	S	*	*	S	Bend	trans	174.3	77.2	146.2	-78.7	0	0	0	0	111.4
440	L	29.3	Very low	28.9	Very low	177 Å²	177	144.5 Å²	144.5	93%	0.927	81%	0.807	S	S	*	*				-179.9	101.9	123.4	-115.3	81	0	0	0	106.8
441	S	29.9	Very low	28.9	Very low	102 Å²	102	143.4 Å²	143.4	71%	0.713	81%	0.805	S	S	*	*			trans	-117.8	135.7	-174.2	-57.8	0	0	0	0	111
442	T	27.7	Very low	29.1	Very low	125 Å²	125	141.6 Å²	141.6	77%	0.767	81%	0.805	S	S	*	*			trans	56.2	94.2	142.1	56.5	0	0	0	0	118.8
443	L	25.7	Very low	29	Very low	179 Å²	179	142 Å²	142	94%	0.937	80%	0.803	S	S	*	*			trans	-100.2	94.8	131.4	-88.2	165.1	0	0	0	107.9
444	S	28.8	Very low	29.3	Very low	96 Å²	96	142.6 Å²	142.6	67%	0.671	81%	0.806	S	S	*	*			trans	-136.3	97.5	171.6	-176.4	0	0	0	0	107.8	K446	S444-K446 PolarHBondContact O-N 2.99Å
445	L	29.9	Very low	29.4	Very low	173 Å²	173	146 Å²	146	91%	0.906	81%	0.813	S	S	*	*			trans	-69.6	88.4	179.4	-75.6	161.2	0	0	0	110.4	M447	L445-M447 PolarHBondContact O-N 3.1Å; L445-M447 VanDerWaalsContact O-N 3.14Å
446	K	29	Very low	29.6	Very low	188 Å²	188	143.1 Å²	143.1	82%	0.817	81%	0.807	S	S	*	*			trans	-75.6	94.5	167.1	-105.2	-178.2	174.1	179.3	0	109.6	S444 N448	S444-K446 PolarHBondContact O-N 2.99Å; K446-N448 PolarHBondContact O-N 3.07Å
447	M	32.5	Very low	29.8	Very low	183 Å²	183	140 Å²	140	90%	0.901	80%	0.796	S	S	*	*			trans	-61	117.8	159.9	-84	-73.1	-176.3	0	0	108.6	L445	L445-M447 PolarHBondContact O-N 3.1Å; L445-M447 VanDerWaalsContact O-N 3.14Å
448	N	27.6	Very low	30.1	Very low	146 Å²	146	140.4 Å²	140.4	78%	0.781	79%	0.788	S	S	*	*			trans	-95.6	116.7	-172.1	-143.9	15.4	0	0	0	109	K446	K446-N448 PolarHBondContact O-N 3.07Å
449	S	31.4	Very low	30.3	Very low	105 Å²	105	141.2 Å²	141.2	73%	0.734	78%	0.784	S	S	*	*			trans	-135.9	59.3	178.7	50.7	0	0	0	0	112.4	V451	S449-V451 PolarHBondContact O-N 3.27Å
450	N	30.4	Very low	30.4	Very low	148 Å²	148	141.4 Å²	141.4	79%	0.791	78%	0.776	S	S	*	*			trans	-77.9	98.1	165.5	-87.2	-4.3	0	0	0	109.9	N452	N450-N452 PolarHBondContact O-N 2.88Å
451	V	29.6	Very low	30.7	Very low	122 Å²	122	138.8 Å²	138.8	74%	0.739	76%	0.763	S	S	*	*			trans	-82.2	94	168.3	-179.7	0	0	0	0	108.9	S449 V453	S449-V451 PolarHBondContact O-N 3.27Å; V451-V453 HydrophobicContact CG1-CG2 4.08Å; V451-V453 PolarHBondContact O-N 2.8Å
452	N	32.4	Very low	31.1	Very low	161 Å²	161	139.5 Å²	139.5	86%	0.861	76%	0.759	S	S	*	*			trans	-85.6	104.5	163.9	-96.4	-6	0	0	0	108.9	N450	N450-N452 PolarHBondContact O-N 2.88Å
453	V	28.8	Very low	31.6	Very low	120 Å²	120	139.6 Å²	139.6	73%	0.727	76%	0.755	S	S	*	*			trans	-75.9	122.6	165	-179.9	0	0	0	0	108	V451	V451-V453 HydrophobicContact CG1-CG2 4.08Å; V451-V453 PolarHBondContact O-N 2.8Å
454	N	33.2	Very low	32.2	Very low	161 Å²	161	136.5 Å²	136.5	86%	0.861	74%	0.739	S	S	*	*			trans	-143.7	122.4	155.1	-147.3	9.7	0	0	0	109.2
455	E	28.6	Very low	32.8	Very low	161 Å²	161	137.5 Å²	137.5	75%	0.752	74%	0.737	S	S	*	*			trans	-74.6	138.2	-177.8	-62	172.7	123.4	0	0	110.3
456	N	32.6	Very low	33.4	Very low	146 Å²	146	135 Å²	135	78%	0.781	73%	0.725	S	S	*	*				-176.1	130.8	115.8	-94.5	-51.5	0	0	0	112
457	T	30.7	Very low	33.9	Very low	109 Å²	109	131.6 Å²	131.6	67%	0.669	72%	0.716	S	S	*	*			trans	4.2	140.7	142.8	56.4	0	0	0	0	117.7
458	N	32.7	Very low	34.1	Very low	130 Å²	130	129.1 Å²	129.1	70%	0.695	71%	0.706	S	S	*	*			cis	-171.7	155.1	36.5	-133.2	-11.3	0	0	0	113.3
459	N	32.8	Very low	34.6	Very low	119 Å²	119	129.7 Å²	129.7	64%	0.636	71%	0.707	S	S	*	*			trans	58.7	116	147.5	-77	-6.4	0	0	0	123.4
460	N	34.9	Very low	34.5	Very low	118 Å²	118	131.4 Å²	131.4	63%	0.631	71%	0.708	S	S	*	*				97.6	107.4	118.5	-69.3	-0.2	0	0	0	121.1
461	N	35.1	Very low	34.8	Very low	122 Å²	122	133 Å²	133	65%	0.652	72%	0.715	S	S	*	*				96.3	111.5	116	-73.1	8	0	0	0	120.1
462	N	38	Very low	34.8	Very low	117 Å²	117	135 Å²	135	63%	0.626	72%	0.718	S	S	*	*				107.3	116	120.6	-73	6.6	0	0	0	118.2
463	N	38.3	Very low	34.9	Very low	128 Å²	128	134.5 Å²	134.5	68%	0.684	71%	0.713	S	S	*	*				74.3	142.3	128	-58.6	12.1	0	0	0	116.5
464	N	39.7	Very low	35.1	Very low	113 Å²	113	137.9 Å²	137.9	60%	0.604	72%	0.717	S	S	*	*			cis	-167.3	169.2	2.5	-124.1	29.5	0	0	0	111.2
465	D	41.6	Very low	34.9	Very low	117 Å²	117	135.7 Å²	135.7	63%	0.626	72%	0.715	S	S	*	*			trans	69.5	103.9	142.2	-55.3	-14.1	0	0	0	121
466	D	41.1	Very low	35.1	Very low	121 Å²	121	134.1 Å²	134.1	65%	0.647	72%	0.721	S	S	*	*				106	122.3	102.1	-84	9.6	0	0	0	123.3
467	N	40.9	Very low	35.2	Very low	117 Å²	117	131.1 Å²	131.1	63%	0.626	73%	0.725	S	S	*	*			trans	72.7	140.4	130.4	-63.7	-26.6	0	0	0	119.7
468	N	36.6	Very low	35.1	Very low	131 Å²	131	132.8 Å²	132.8	70%	0.701	73%	0.73	S	S	*	*			cis	-167.8	179.6	-10.1	-124.4	-34	0	0	0	111.3
469	I	37.9	Very low	35.2	Very low	158 Å²	158	132.4 Å²	132.4	81%	0.81	74%	0.737	S	S	*	*			trans	103.6	108.9	157.9	-50.5	-172.1	0	0	0	117
470	N	29.8	Very low	35	Very low	141 Å²	141	134.1 Å²	134.1	75%	0.754	74%	0.741	S	S	*	*			trans	-88.9	152.4	172.7	-61.7	-64.1	0	0	0	112.6
471	I	35.4	Very low	34.9	Very low	181 Å²	181	135.3 Å²	135.3	93%	0.928	75%	0.753	S	S	*	*				-137	134.3	129.9	-60.9	-172.4	0	0	0	107.8
472	M	30.6	Very low	34.5	Very low	163 Å²	163	134.9 Å²	134.9	80%	0.803	76%	0.755	S	S	*	*			trans	-137.4	140.8	-170.4	178.5	-177.4	80.4	0	0	111.3
473	M	33.9	Very low	34.4	Very low	152 Å²	152	137.1 Å²	137.1	75%	0.749	76%	0.764	S	S	*	*			trans	159.3	135.2	149.1	-89.4	-158.1	-162.2	0	0	107.9
474	K	32.1	Very low	34	Very low	190 Å²	190	134.9 Å²	134.9	83%	0.826	76%	0.758	S	S	*	*			cis	-150.2	151.6	1.2	-100.1	162	174.3	170.2	0	108.8
475	S	30.1	Very low	34	Very low	116 Å²	116	137 Å²	137	81%	0.811	77%	0.767	S	S	*	*			trans	-145.7	149.1	169	175	0	0	0	0	109.4
476	S	33.5	Very low	33.8	Very low	127 Å²	127	136.8 Å²	136.8	89%	0.888	77%	0.773	S	S	*	*			trans	179.8	138.5	158.5	-82.2	0	0	0	0	111.4
477	G	33.6	Very low	33.9	Very low	83 Å²	83	137.1 Å²	137.1	86%	0.856	78%	0.781	S	S	*	*			trans	164.8	28.8	171.1	0	0	0	0	0	118
478	N	29.1	Very low	33.9	Very low	144 Å²	144	137.4 Å²	137.4	77%	0.77	79%	0.792	S	S	*	*			trans	-85.4	151.7	-177.3	-135.8	25.5	0	0	0	112.2
479	S	33.7	Very low	33.8	Very low	122 Å²	122	134.5 Å²	134.5	85%	0.853	79%	0.793	S	S	*	*			trans	-150.5	110.2	166.4	-76.8	0	0	0	0	112.1
480	H	29.5	Very low	33.8	Very low	156 Å²	156	133.3 Å²	133.3	72%	0.722	79%	0.794	S	S	*	*			trans	-99.5	159.6	168.2	-92.3	-82.9	0	0	0	110.3
481	T	32.1	Very low	34.1	Very low	143 Å²	143	132 Å²	132	88%	0.877	80%	0.795	S	S	*	*			trans	-143.6	141.1	157.6	-46.7	0	0	0	0	110.2
482	T	28.2	Very low	34.2	Very low	113 Å²	113	128.6 Å²	128.6	69%	0.693	79%	0.785	S	S	*	*			trans	-137.6	147.5	-167.1	-53	0	0	0	0	109.6
483	M	34.2	Very low	34.1	Very low	164 Å²	164	127.9 Å²	127.9	81%	0.808	78%	0.784	S	S	*	*			trans	-148.6	103.8	162.7	-79.8	-51	-60.3	0	0	115.2
484	S	31.4	Very low	34.2	Very low	80 Å²	80	126.4 Å²	126.4	56%	0.559	79%	0.788	S	S	*	*			trans	28.6	123.8	131.4	-48.2	0	0	0	0	122.3
485	I	37.9	Very low	34.1	Very low	157 Å²	157	125.5 Å²	125.5	81%	0.805	79%	0.787	S	S	*	*				81.3	149.4	73.6	-69.4	162.7	0	0	0	113.5
486	P	37.8	Very low	34.3	Very low	114 Å²	114	128.9 Å²	128.9	74%	0.74	79%	0.79	S	S	*	*			cis	-133.9	-177.6	5.4	30.3	-6.5	0	0	0	118.4
487	P	44.6	Very low	34.1	Very low	128 Å²	128	131.3 Å²	131.3	83%	0.831	79%	0.787	S	S	*	*			trans	-125.8	165.4	172.5	42	-29.3	0	0	0	117.9
488	S	39.4	Very low	34.1	Very low	122 Å²	122	136.8 Å²	136.8	85%	0.853	79%	0.79	S	S	*	*			trans	-167.1	134.7	159.7	53.3	0	0	0	0	108.2
489	G	35.7	Very low	34.2	Very low	70 Å²	70	135.3 Å²	135.3	72%	0.722	79%	0.791	S	S	*	*				111.7	149.3	67.7	0	0	0	0	0	109.8
490	T	37.6	Very low	34.1	Very low	133 Å²	133	138.5 Å²	138.5	82%	0.816	79%	0.792	S	S	*	*			cis	-169.6	131.4	-3	22.5	0	0	0	0	111.5
491	S	35.8	Very low	33.9	Very low	113 Å²	113	137.1 Å²	137.1	79%	0.79	80%	0.799	S	S	*	*			trans	81.3	160.3	139	-55	0	0	0	0	120.3
492	P	37.6	Very low	33.7	Very low	111 Å²	111	137.1 Å²	137.1	72%	0.721	79%	0.793	S	S	*	*				-142.5	-161.5	-121.8	36.7	-10.2	0	0	0	117.8
493	L	29	Very low	33.7	Very low	148 Å²	148	140.9 Å²	140.9	78%	0.775	80%	0.8	S	S	*	*			trans	81.2	117.9	157.6	-67.9	151.1	0	0	0	121.4
494	S	34.6	Very low	33.5	Very low	120 Å²	120	141.4 Å²	141.4	84%	0.839	80%	0.804	S	S	*	*				177.9	161.9	108.4	45.4	0	0	0	0	113.2
495	H	31.5	Very low	33.3	Very low	171 Å²	171	145.4 Å²	145.4	79%	0.792	81%	0.814	S	S	*	*			trans	-90.2	150.7	-168.2	-54.7	-89.3	0	0	0	114.3
496	Q	33.6	Very low	32.7	Very low	188 Å²	188	143.7 Å²	143.7	88%	0.879	81%	0.814	S	S	*	*				-175.1	161.2	108.1	-101.9	176.2	-4.7	0	0	114.4
497	H	30	Very low	32.2	Very low	178 Å²	178	142.4 Å²	142.4	82%	0.824	81%	0.808	S	S	*	*			trans	-52.4	144.2	179.6	-78.1	-129.1	0	0	0	114.1
498	H	33.1	Very low	31.3	Very low	197 Å²	197	145.1 Å²	145.1	91%	0.912	81%	0.809	S	S	*	*				-160	156.8	111.6	-107.9	-76.9	0	0	0	111.8
499	S	30.2	Very low	30.7	Very low	113 Å²	113	145 Å²	145	79%	0.79	80%	0.804	S	S	*	*			trans	-90.5	118.4	-174.2	158.2	0	0	0	0	111.7
500	E	32.6	Very low	30.2	Very low	190 Å²	190	150.4 Å²	150.4	89%	0.888	81%	0.81	S	S	*	*			trans	-149	118.2	152.6	-156.1	158.5	-156.4	0	0	109.3
501	C	25.7	Very low	29.9	Very low	127 Å²	127	150.1 Å²	150.1	86%	0.858	80%	0.803	S	S	*	*			trans	-114.1	85.5	-177.7	-169.2	0	0	0	0	108.2
502	D	27.5	Very low	29.6	Very low	142 Å²	142	149.6 Å²	149.6	76%	0.759	79%	0.794	S	S	*	*			trans	-158.5	143.4	170.5	-113	-35.5	0	0	0	111.3
503	K	28.2	Very low	29.4	Very low	192 Å²	192	148.1 Å²	148.1	84%	0.835	79%	0.785	S	S	*	*			trans	58.7	72.1	167.6	-57.7	171.3	-174.2	169.5	0	117	H505	K503-H505 PolarHBondContact O-N 3.38Å; K503-H505 VanDerWaalsContact O-N 3.16Å
504	I	29.6	Very low	30.4	Very low	175 Å²	175	145.8 Å²	145.8	90%	0.897	77%	0.766	S	S	*	*			trans	-72.1	109.1	153.6	-64.7	-178.4	0	0	0	108.9	C506	I504-C506 PolarHBondContact O-N 2.95Å
505	H	26.8	Very low	31.5	Very low	165 Å²	165	141.3 Å²	141.3	76%	0.764	73%	0.733	S	S	*	*			trans	-47.1	110.5	172.5	-157.7	75.5	0	0	0	111.6	K503 S507	K503-H505 PolarHBondContact O-N 3.38Å; K503-H505 VanDerWaalsContact O-N 3.16Å; H505-S507 PolarHBondContact O-N 2.9Å; H505-S507 VanDerWaalsContact O-N 3.13Å
506	C	25.3	Very low	33.1	Very low	120 Å²	120	133.5 Å²	133.5	81%	0.811	70%	0.697	S	S	*	*			trans	-69.2	107.5	163.6	-175	0	0	0	0	107	I504 Q508	I504-C506 PolarHBondContact O-N 2.95Å; C506-Q508 PolarHBondContact O-N 3.42Å
507	S	27.3	Very low	35	Very low	87 Å²	87	129.3 Å²	129.3	61%	0.608	68%	0.681	S	S	*	*			trans	-60.3	125.8	-179.1	37	0	0	0	0	110	H505 T509	H505-S507 PolarHBondContact O-N 2.9Å; H505-S507 VanDerWaalsContact O-N 3.13Å; S507-T509 PolarHBondContact O-N 3.23Å; S507-T509 PolarHBondContact O-OG1 3.46Å
508	Q	26.5	Very low	37.3	Very low	185 Å²	185	122.3 Å²	122.3	86%	0.864	65%	0.652	S	S	*	*			trans	-57.8	96.3	174.8	-70	172.7	-16.7	0	0	109.5	C506 Q510	C506-Q508 PolarHBondContact O-N 3.42Å; Q508-Q510 PolarHBondContact O-N 3.5Å
509	T	26.8	Very low	39.6	Very low	121 Å²	121	118.5 Å²	118.5	74%	0.742	64%	0.642	S	S	*	*			trans	-67.9	120.8	168.8	-29.4	0	0	0	0	106.3	S507 I511	S507-T509 PolarHBondContact O-N 3.23Å; S507-T509 PolarHBondContact O-OG1 3.46Å; T509-I511 PolarHBondContact O-N 2.84Å
510	Q	25.3	Very low	42.3	Very low	182 Å²	182	116.5 Å²	116.5	85%	0.85	62%	0.623	S	S	*	*			trans	-52	119.5	-178.6	-77.5	175.6	-53.2	0	0	109.5	Q508 V512	Q508-Q510 PolarHBondContact O-N 3.5Å; Q510-V512 VanDerWaalsContact C-N 3.34Å; Q510-V512 PolarHBondContact O-N 3.41Å
511	I	30.1	Very low	44.8	Very low	128 Å²	128	108.8 Å²	108.8	66%	0.656	59%	0.589	S	S	*	*			trans	-76	92.9	179.5	-56.4	174.1	0	0	0	106.6	T509 P513	T509-I511 PolarHBondContact O-N 2.84Å; I511-P513 WeakPolarHBondContact O-CD 3.33Å
512	V	29.6	Very low	47.7	Very low	102 Å²	102	110 Å²	110	62%	0.618	58%	0.58	S	S	*	*			trans	-63	120.5	161.9	-174	0	0	0	0	105.9	Q510 Y514	Q510-V512 VanDerWaalsContact C-N 3.34Å; Q510-V512 PolarHBondContact O-N 3.41Å; V512-Y514 WeakPolarHBondContact O-CD2 3.32Å; V512-Y514 PolarHBondContact O-N 3.21Å
513	P	34.7	Very low	50.7	Low	80 Å²	80	107.5 Å²	107.5	52%	0.519	56%	0.562	S	S	.	*			trans	-65.2	121.7	175.6	27.2	-32.7	0	0	0	107.9	I511 I515	I511-P513 WeakPolarHBondContact O-CD 3.33Å; P513-I515 HydrophobicContact CB-CD1 4Å; P513-I515 HydrophobicContact CB-CG1 4.06Å; P513-I515 HydrophobicContact CG-CD1 3.75Å; P513-I515 HydrophobicContact CG-CG1 4.31Å; P513-I515 PolarHBondContact O-N 3.06Å
514	Y	49.6	Very low	53.7	Low	98 Å²	98	98.3 Å²	98.3	38%	0.384	52%	0.522	S	S	.	.			trans	-72.7	76	-179.4	-65.6	-87.1	0	0	0	109.6	V512 L576	V512-Y514 WeakPolarHBondContact O-CD2 3.32Å; V512-Y514 PolarHBondContact O-N 3.21Å; Y514-L576 HydrophobicContact CD1-CD2 4.22Å; Y514-L576 HydrophobicContact CE1-CD2 3.58Å; Y514-L576 HydrophobicContact CE2-CD2 4.03Å; Y514-L576 VanDerWaalsContact CZ-CD2 3.48Å
515	I	56.9	Low	56.6	Low	26 Å²	26	91.9 Å²	91.9	13%	0.133	49%	0.488	C	S	.	.			trans	-87.8	135.4	-179.3	-66	163.7	0	0	0	108.1	K375 V377 P513 N517	K375-I515 HydrophobicContact CB-CD1 4.24Å; V377-I515 HydrophobicContact CG2-CD1 3.67Å; P513-I515 HydrophobicContact CB-CD1 4Å; P513-I515 HydrophobicContact CB-CG1 4.06Å; P513-I515 HydrophobicContact CG-CD1 3.75Å; P513-I515 HydrophobicContact CG-CG1 4.31Å; P513-I515 PolarHBondContact O-N 3.06Å; I515-N517 VanDerWaalsContact C-N 3.34Å; I515-N517 PolarHBondContact O-N 3.39Å
516	I	64.8	Low	59.7	Low	7 Å²	7	88.4 Å²	88.4	4%	0.036	48%	0.475	C	S	.	.			trans	-63.7	99	166.7	-65.4	156.9	0	0	0	106.7	F374 S518 T546 C552	F374-I516 HydrophobicContact CE1-CB 4.34Å; F374-I516 HydrophobicContact CE1-CG2 4.17Å; I516-S518 PolarHBondContact O-N 3.36Å; I516-S518 VanDerWaalsContact O-N 3.12Å; I516-T546 HydrophobicContact CG2-CG2 4.32Å; I516-T546 WeakPolarHBondContact CG2-OG1 3.44Å; I516-C552 HydrophobicContact CD1-CB 4.13Å; I516-C552 HydrophobicContact CG1-CB 4.46Å; I516-C552 HydrophobicContact CG2-CB 3.82Å
517	N	73.5	Confident	62.9	Low	101 Å²	101	83.5 Å²	83.5	54%	0.54	44%	0.441	S	S	.	.			trans	-64.3	117.2	-177.7	-73.8	-39.4	0	0	0	108.7	I515 T546 T547	I515-N517 VanDerWaalsContact C-N 3.34Å; I515-N517 PolarHBondContact O-N 3.39Å; N517-T546 VanDerWaalsContact O-CA 3.27Å; N517-T546 WeakPolarHBondContact O-CA 3.48Å; N517-T546 WeakPolarHBondContact O-CB 3.28Å; N517-T546 PolarHBondContact O-OG1 3.45Å; N517-T547 PolarHBondContact O-N 2.83Å
518	S	79.4	Confident	66	Low	31 Å²	31	79.4 Å²	79.4	22%	0.217	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-122.7	135	-179	-179	0	0	0	0	111.6	I516 N520 L545	I516-S518 PolarHBondContact O-N 3.36Å; I516-S518 VanDerWaalsContact O-N 3.12Å; S518-N520 VanDerWaalsContact C-N 3.29Å; S518-N520 VanDerWaalsContact OG-C 3.27Å; S518-N520 PolarHBondContact OG-N 3.23Å; S518-N520 PolarHBondContact OG-O 2.75Å; S518-L545 CarbonylContact C-O 3.58Å; S518-L545 WeakPolarHBondContact CA-O 3.3Å; S518-L545 VanDerWaalsContact CB-O 3.26Å; S518-L545 WeakPolarHBondContact CB-O 3.44Å; S518-L545 PolarHBondContact OG-O 2.94Å
519	T	81.3	Confident	69.1	Low	116 Å²	116	75.1 Å²	75.1	71%	0.712	39%	0.391	S	S	*	.	S	Bend	trans	-69.7	-28.6	174.6	54.1	0	0	0	0	111.9	Q544 L545	T519-Q544 PolarHBondContact OG1-O 3.47Å; T519-L545 PolarHBondContact N-O 3.42Å; T519-L545 VanDerWaalsContact N-O 3.07Å; T519-L545 PolarHBondContact OG1-O 2.87Å
520	N	85.9	Confident	72.2	Confident	71 Å²	71	73.8 Å²	73.8	38%	0.38	38%	0.383	S	S	.	.	S	Bend	trans	-146.4	85.6	173.7	-175.2	-11.8	0	0	0	110.3	S518 K522 K523 L524 L545	S518-N520 VanDerWaalsContact C-N 3.29Å; S518-N520 VanDerWaalsContact OG-C 3.27Å; S518-N520 PolarHBondContact OG-N 3.23Å; S518-N520 PolarHBondContact OG-O 2.75Å; N520-K522 VanDerWaalsContact C-N 3.29Å; N520-K522 PolarHBondContact O-N 3.08Å; N520-K523 HydrophobicContact CB-CB 4.18Å; N520-K523 PolarHBondContact O-N 2.83Å; N520-K523 PolarHBondContact OD1-N 3.48Å; N520-L524 PolarHBondContact O-N 3.2Å; N520-L524 VanDerWaalsContact O-N 3.15Å; N520-L545 HydrophobicContact CB-CD2 3.86Å
521	P	85.1	Confident	75.5	Confident	28 Å²	28	66.3 Å²	66.3	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-60.2	-34.8	-172	18.1	-30.8	0	0	0	114.1	F374 L524 E525	F374-P521 HydrophobicContact CB-CB 3.59Å; F374-P521 HydrophobicContact CD1-CB 4.29Å; F374-P521 HydrophobicContact CD2-CB 4.5Å; F374-P521 HydrophobicContact CG-CB 3.89Å; P521-L524 PolarHBondContact O-N 3.14Å; P521-E525 WeakPolarHBondContact O-CB 3.37Å; P521-E525 PolarHBondContact O-N 2.85Å
522	K	87.7	Confident	78.7	Confident	153 Å²	153	60.4 Å²	60.4	67%	0.665	32%	0.32	S	S	*	.	H	α-helix	trans	-67	-44	178.8	-69.6	-175.2	176.6	-177.6	0	111.8	N520 L524 E525 D526	N520-K522 VanDerWaalsContact C-N 3.29Å; N520-K522 PolarHBondContact O-N 3.08Å; K522-L524 VanDerWaalsContact C-N 3.29Å; K522-L524 PolarHBondContact O-N 3.41Å; K522-E525 WeakPolarHBondContact O-CB 3.42Å; K522-E525 PolarHBondContact O-N 3.15Å; K522-D526 WeakPolarHBondContact O-CB 3.28Å; K522-D526 VanDerWaalsContact O-CG 3.25Å; K522-D526 PolarHBondContact O-N 2.89Å
523	K	90.9	Very high	81.8	Confident	89 Å²	89	58.8 Å²	58.8	39%	0.387	31%	0.308	S	S	.	.	H	α-helix	trans	-64.7	-37.2	178.3	-171.4	177.7	173.2	-155.2	0	111.4	N520 L527 E541 L545	N520-K523 HydrophobicContact CB-CB 4.18Å; N520-K523 PolarHBondContact O-N 2.83Å; N520-K523 PolarHBondContact OD1-N 3.48Å; K523-L527 VanDerWaalsContact O-CB 3.31Å; K523-L527 WeakPolarHBondContact O-CB 3.39Å; K523-L527 PolarHBondContact O-N 2.69Å; K523-E541 WeakPolarHBondContact CE-OE1 3.42Å; K523-E541 IonicContact NZ-OE1 3.17Å; K523-E541 PolarHBondContact NZ-OE1 3.49Å; K523-L545 HydrophobicContact CB-CD1 4.41Å; K523-L545 HydrophobicContact CB-CD2 4.24Å; K523-L545 HydrophobicContact CD-CD1 4.34Å; K523-L545 HydrophobicContact CD-CD2 4.15Å; K523-L545 HydrophobicContact CG-CD1 4.07Å; K523-L545 HydrophobicContact CG-CD2 4.38Å
524	L	91.1	Very high	84.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67.3	-43.2	174.1	-175.3	55.6	0	0	0	112	F374 N520 P521 K522 L527 L528 V542 L545 T546	F374-L524 HydrophobicContact CE1-CD2 3.54Å; F374-L524 HydrophobicContact CE1-CG 4.06Å; F374-L524 HydrophobicContact CE2-CG 4.36Å; F374-L524 HydrophobicContact CZ-CB 4.18Å; F374-L524 HydrophobicContact CZ-CD2 3.64Å; F374-L524 HydrophobicContact CZ-CG 3.61Å; N520-L524 PolarHBondContact O-N 3.2Å; N520-L524 VanDerWaalsContact O-N 3.15Å; P521-L524 PolarHBondContact O-N 3.14Å; K522-L524 VanDerWaalsContact C-N 3.29Å; K522-L524 PolarHBondContact O-N 3.41Å; L524-L527 PolarHBondContact O-N 3.41Å; L524-L528 HydrophobicContact CD1-CD1 3.98Å; L524-L528 HydrophobicContact CD1-CG 4.19Å; L524-L528 HydrophobicContact CG-CD1 3.97Å; L524-L528 WeakPolarHBondContact O-CB 3.47Å; L524-L528 WeakPolarHBondContact O-CD1 3.38Å; L524-L528 WeakPolarHBondContact O-CG 3.33Å; L524-L528 PolarHBondContact O-N 2.98Å; L524-V542 HydrophobicContact CD1-CG1 4.15Å; L524-V542 HydrophobicContact CD1-CG2 4.48Å; L524-L545 HydrophobicContact CB-CB 4.18Å; L524-L545 HydrophobicContact CB-CD1 4.21Å; L524-L545 HydrophobicContact CD1-CB 4.08Å; L524-L545 HydrophobicContact CD1-CD1 4.34Å; L524-L545 HydrophobicContact CD2-CB 4.42Å; L524-L545 HydrophobicContact CG-CB 4.45Å; L524-T546 HydrophobicContact CD2-CG2 4.02Å
525	E	90.1	Very high	87	Confident	39 Å²	39	57.2 Å²	57.2	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-47	173.4	-176.6	171.9	178.5	0	0	112.4	Y372 F374 P521 K522 L528 K529	Y372-E525 HydrophobicContact CD1-CG 4.19Å; Y372-E525 HydrophobicContact CD2-CG 3.59Å; Y372-E525 WeakPolarHBondContact CD2-OE1 3.48Å; Y372-E525 HydrophobicContact CE2-CG 4.1Å; Y372-E525 HydrophobicContact CG-CB 4.48Å; Y372-E525 HydrophobicContact CG-CG 3.7Å; F374-E525 HydrophobicContact CD2-CB 3.79Å; F374-E525 HydrophobicContact CD2-CG 4.43Å; F374-E525 HydrophobicContact CE2-CB 3.7Å; F374-E525 HydrophobicContact CE2-CG 4.42Å; P521-E525 WeakPolarHBondContact O-CB 3.37Å; P521-E525 PolarHBondContact O-N 2.85Å; K522-E525 WeakPolarHBondContact O-CB 3.42Å; K522-E525 PolarHBondContact O-N 3.15Å; E525-L528 PolarHBondContact O-N 3.4Å; E525-K529 VanDerWaalsContact CD-NZ 3.3Å; E525-K529 HydrophobicContact CG-CD 4.15Å; E525-K529 VanDerWaalsContact CG-CE 3.49Å; E525-K529 WeakPolarHBondContact O-CB 3.44Å; E525-K529 VanDerWaalsContact O-CG 3.28Å; E525-K529 WeakPolarHBondContact O-CG 3.46Å; E525-K529 PolarHBondContact O-N 2.79Å; E525-K529 VanDerWaalsContact OE1-CE 3.26Å; E525-K529 WeakPolarHBondContact OE1-CE 3.24Å; E525-K529 IonicContact OE1-NZ 2.64Å; E525-K529 PolarHBondContact OE1-NZ 3.04Å
526	D	91.7	Very high	88.8	Confident	92 Å²	92	57 Å²	57	49%	0.492	30%	0.302	S	S	.	.	H	α-helix	trans	-64.5	-45.5	179.2	-68.1	-27.9	0	0	0	111.1	K522 L528 K529 T530	K522-D526 WeakPolarHBondContact O-CB 3.28Å; K522-D526 VanDerWaalsContact O-CG 3.25Å; K522-D526 PolarHBondContact O-N 2.89Å; D526-L528 PolarHBondContact O-N 2.84Å; D526-K529 WeakPolarHBondContact O-CB 3.4Å; D526-K529 PolarHBondContact O-N 2.86Å; D526-T530 WeakPolarHBondContact O-CG2 3.35Å; D526-T530 PolarHBondContact O-N 3.15Å; D526-T530 PolarHBondContact O-OG1 3.4Å; D526-T530 VanDerWaalsContact O-OG1 3.14Å
527	L	92.6	Very high	90.3	Very high	18 Å²	18	56.8 Å²	56.8	9%	0.094	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-44.2	176.1	178.6	62.1	0	0	0	112.3	K523 L524 T530 S531 I537 E541 V542 L545	K523-L527 VanDerWaalsContact O-CB 3.31Å; K523-L527 WeakPolarHBondContact O-CB 3.39Å; K523-L527 PolarHBondContact O-N 2.69Å; L524-L527 PolarHBondContact O-N 3.41Å; L527-T530 PolarHBondContact O-N 2.84Å; L527-T530 PolarHBondContact O-OG1 3.47Å; L527-S531 VanDerWaalsContact O-CB 3.3Å; L527-S531 WeakPolarHBondContact O-CB 3.32Å; L527-S531 PolarHBondContact O-N 2.97Å; L527-I537 HydrophobicContact CD1-CG1 4.35Å; L527-E541 HydrophobicContact CD2-CB 4.16Å; L527-E541 HydrophobicContact CD2-CG 3.93Å; L527-V542 HydrophobicContact CD2-CG2 3.69Å; L527-L545 HydrophobicContact CD2-CD1 4.18Å
528	L	93.1	Very high	91.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-71.3	-30.6	177.9	-66.9	168.5	0	0	0	112.5	Y372 F374 L524 E525 D526 L532 I553	Y372-L528 HydrophobicContact CE1-CB 4.03Å; F374-L528 HydrophobicContact CE2-CD1 4.44Å; F374-L528 HydrophobicContact CZ-CD1 3.96Å; L524-L528 HydrophobicContact CD1-CD1 3.98Å; L524-L528 HydrophobicContact CD1-CG 4.19Å; L524-L528 HydrophobicContact CG-CD1 3.97Å; L524-L528 WeakPolarHBondContact O-CB 3.47Å; L524-L528 WeakPolarHBondContact O-CD1 3.38Å; L524-L528 WeakPolarHBondContact O-CG 3.33Å; L524-L528 PolarHBondContact O-N 2.98Å; E525-L528 PolarHBondContact O-N 3.4Å; D526-L528 PolarHBondContact O-N 2.84Å; L528-L532 HydrophobicContact CD2-CD1 4.1Å; L528-L532 WeakPolarHBondContact O-CB 3.49Å; L528-I553 HydrophobicContact CD2-CD1 3.72Å
529	K	91	Very high	92.3	Very high	96 Å²	96	53.2 Å²	53.2	42%	0.417	28%	0.279	S	S	.	.	H	α-helix	trans	-66.9	-46	172.4	-80.1	170.9	-175.6	168.6	0	112.1	Y372 E525 D526	Y372-K529 HydrophobicContact CE1-CG 4.39Å; Y372-K529 HydrophobicContact CE2-CD 4.24Å; Y372-K529 HydrophobicContact CE2-CG 3.89Å; Y372-K529 WeakPolarHBondContact OH-CG 3.33Å; E525-K529 VanDerWaalsContact CD-NZ 3.3Å; E525-K529 HydrophobicContact CG-CD 4.15Å; E525-K529 VanDerWaalsContact CG-CE 3.49Å; E525-K529 WeakPolarHBondContact O-CB 3.44Å; E525-K529 VanDerWaalsContact O-CG 3.28Å; E525-K529 WeakPolarHBondContact O-CG 3.46Å; E525-K529 PolarHBondContact O-N 2.79Å; E525-K529 VanDerWaalsContact OE1-CE 3.26Å; E525-K529 WeakPolarHBondContact OE1-CE 3.24Å; E525-K529 IonicContact OE1-NZ 2.64Å; E525-K529 PolarHBondContact OE1-NZ 3.04Å; D526-K529 WeakPolarHBondContact O-CB 3.4Å; D526-K529 PolarHBondContact O-N 2.86Å
530	T	92.8	Very high	93	Very high	93 Å²	93	47.8 Å²	47.8	57%	0.571	25%	0.246	S	C	*	.	H	α-helix	trans	-83.9	-34.6	-172.3	57.6	0	0	0	0	113.6	D526 L527 L534	D526-T530 WeakPolarHBondContact O-CG2 3.35Å; D526-T530 PolarHBondContact O-N 3.15Å; D526-T530 PolarHBondContact O-OG1 3.4Å; D526-T530 VanDerWaalsContact O-OG1 3.14Å; L527-T530 PolarHBondContact O-N 2.84Å; L527-T530 PolarHBondContact O-OG1 3.47Å; T530-L534 WeakPolarHBondContact O-CD1 3.13Å
531	S	94.5	Very high	93.5	Very high	25 Å²	25	46.6 Å²	46.6	18%	0.175	24%	0.238	C	C	.	.	H	α-helix	trans	-121.4	-8.4	-159.4	-49.9	0	0	0	0	115	L527 D533 L534	L527-S531 VanDerWaalsContact O-CB 3.3Å; L527-S531 WeakPolarHBondContact O-CB 3.32Å; L527-S531 PolarHBondContact O-N 2.97Å; S531-D533 VanDerWaalsContact C-N 3.27Å; S531-D533 PolarHBondContact O-N 3.28Å; S531-L534 PolarHBondContact O-N 2.89Å
532	L	95.3	Very high	94	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-30.3	-176.3	-173.7	67.3	0	0	0	114	L528 I553 N556 I557 K560 Q601 H604	L528-L532 HydrophobicContact CD2-CD1 4.1Å; L528-L532 WeakPolarHBondContact O-CB 3.49Å; L532-I553 HydrophobicContact CD1-CD1 3.86Å; L532-N556 HydrophobicContact CD2-CB 4.08Å; L532-I557 HydrophobicContact CD1-CD1 4.17Å; L532-I557 HydrophobicContact CD1-CG1 3.96Å; L532-I557 HydrophobicContact CD2-CG1 4.09Å; L532-I557 HydrophobicContact CG-CG1 4.18Å; L532-K560 HydrophobicContact CD2-CD 4.17Å; L532-Q601 HydrophobicContact CD1-CG 4.16Å; L532-Q601 PolarHBondContact O-NE2 3.49Å; L532-H604 PolarHBondContact O-CD2 3.29Å
533	D	96.4	Very high	94.3	Very high	67 Å²	67	40.1 Å²	40.1	36%	0.358	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-1.4	177.7	-54.6	-23.2	0	0	0	113.3	S531 K560 H604	S531-D533 VanDerWaalsContact C-N 3.27Å; S531-D533 PolarHBondContact O-N 3.28Å; D533-K560 WeakPolarHBondContact OD1-CE 3.15Å; D533-K560 IonicContact OD1-NZ 2.73Å; D533-K560 PolarHBondContact OD1-NZ 2.64Å; D533-K560 WeakPolarHBondContact OD2-CE 3.24Å; D533-K560 IonicContact OD2-NZ 2.6Å; D533-K560 PolarHBondContact OD2-NZ 3.34Å; D533-H604 IonicContact OD1-CD2 3.91Å; D533-H604 IonicContact OD1-CE1 2.7Å; D533-H604 IonicContact OD1-NE2 2.84Å; D533-H604 PolarHBondContact OD1-NE2 3.03Å
534	L	96.3	Very high	94.5	Very high	100 Å²	100	42.2 Å²	42.2	52%	0.524	22%	0.22	S	C	.	.	S	Bend	trans	-97.3	142.6	-175.3	-58.3	-177.4	0	0	0	110.8	T530 S531 G536 Q601	T530-L534 WeakPolarHBondContact O-CD1 3.13Å; S531-L534 PolarHBondContact O-N 2.89Å; L534-G536 PolarHBondContact O-N 3.32Å; L534-Q601 PolarHBondContact O-NE2 3.4Å
535	W	97.2	Very high	94.7	Very high	46 Å²	46	42.7 Å²	42.7	17%	0.174	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	128.5	170.7	-168.6	-104.9	0	0	0	110.1	V605 L606 A754 K755 W812 I826	W535-V605 HydrophobicContact CB-CG1 4.32Å; W535-V605 HydrophobicContact CE3-CB 4.07Å; W535-V605 HydrophobicContact CE3-CG1 4.01Å; W535-L606 HydrophobicContact CZ3-CD2 4.2Å; W535-L606 HydrophobicContact CZ3-CG 4.18Å; W535-A754 PolarHBondContact NE1-O 3.42Å; W535-K755 HydrophobicContact CZ2-CD 4.15Å; W535-W812 AromaticContact CH2-CH2 3.46Å; W535-W812 HydrophobicContact CH2-CH2 3.46Å; W535-W812 VanDerWaalsContact CH2-CH2 3.46Å; W535-W812 AromaticContact CH2-CZ2 3.8Å; W535-W812 HydrophobicContact CH2-CZ2 3.8Å; W535-W812 AromaticContact CZ2-CH2 3.72Å; W535-W812 HydrophobicContact CZ2-CH2 3.72Å; W535-W812 AromaticContact CZ2-CZ2 3.88Å; W535-W812 HydrophobicContact CZ2-CZ2 3.88Å; W535-W812 HydrophobicContact CZ3-CH2 4.3Å; W535-I826 HydrophobicContact CD2-CD1 3.74Å; W535-I826 HydrophobicContact CD2-CG1 4.04Å; W535-I826 HydrophobicContact CE3-CD1 3.95Å; W535-I826 HydrophobicContact CG-CD1 4.13Å; W535-I826 HydrophobicContact CG-CG1 3.99Å; W535-I826 HydrophobicContact CH2-CD1 4.46Å; W535-I826 HydrophobicContact CZ2-CD1 4.26Å; W535-I826 HydrophobicContact CZ2-CG2 3.84Å; W535-I826 HydrophobicContact CZ3-CD1 4.31Å
536	G	93.8	Very high	94.8	Very high	20 Å²	20	41 Å²	41	21%	0.206	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	40.7	-178.2	0	0	0	0	0	114.8	L534	L534-G536 PolarHBondContact O-N 3.32Å
537	I	96.3	Very high	94.7	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.015	22%	0.215	C	C	.	.			trans	-54.6	140.6	159.2	-169.7	169.6	0	0	0	109.6	L527 I539 V542 I553 Q601 L759	L527-I537 HydrophobicContact CD1-CG1 4.35Å; I537-I539 VanDerWaalsContact C-N 3.3Å; I537-I539 PolarHBondContact O-N 3.26Å; I537-V542 HydrophobicContact CD1-CG2 4.34Å; I537-I553 HydrophobicContact CD1-CD1 4.39Å; I537-Q601 HydrophobicContact CG2-CB 4.47Å; I537-Q601 HydrophobicContact CG2-CG 3.82Å; I537-L759 WeakPolarHBondContact O-CD1 3.3Å
538	D	96.9	Very high	94.7	Very high	56 Å²	56	41.1 Å²	41.1	30%	0.299	22%	0.219	S	C	.	.			trans	-75.3	88.4	171.1	-167.4	-21.5	0	0	0	109.8	F540 E541 V542 L759	D538-F540 PolarHBondContact O-N 2.88Å; D538-F540 WeakPolarHBondContact OD1-CA 3.35Å; D538-F540 WeakPolarHBondContact OD1-CB 3.47Å; D538-F540 PolarHBondContact OD1-N 3.48Å; D538-E541 HydrophobicContact CB-CB 3.85Å; D538-E541 WeakPolarHBondContact O-CB 3.17Å; D538-E541 PolarHBondContact O-N 3.5Å; D538-E541 PolarHBondContact OD1-N 3.37Å; D538-V542 PolarHBondContact O-N 3.36Å; D538-V542 VanDerWaalsContact O-N 3.17Å; D538-L759 HydrophobicContact CB-CD2 4.23Å
539	I	97.2	Very high	94.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-68	-20.9	178.5	-161.3	67.2	0	0	0	112.5	I537 V542 D543 I553 V594 A597 D598 W763	I537-I539 VanDerWaalsContact C-N 3.3Å; I537-I539 PolarHBondContact O-N 3.26Å; I539-V542 HydrophobicContact CD1-CB 4.35Å; I539-V542 HydrophobicContact CD1-CG2 4.44Å; I539-V542 WeakPolarHBondContact O-CB 3.42Å; I539-V542 PolarHBondContact O-N 3.03Å; I539-D543 PolarHBondContact O-N 3.12Å; I539-I553 HydrophobicContact CD1-CD1 4.1Å; I539-I553 HydrophobicContact CD1-CG1 3.87Å; I539-V594 HydrophobicContact CG1-CG1 4.11Å; I539-V594 HydrophobicContact CG2-CG1 4.17Å; I539-A597 HydrophobicContact CD1-CB 3.83Å; I539-A597 HydrophobicContact CG1-CB 4.17Å; I539-D598 HydrophobicContact CB-CB 4.47Å; I539-D598 HydrophobicContact CG1-CB 4.12Å; I539-D598 HydrophobicContact CG2-CB 4.12Å; I539-W763 HydrophobicContact CG2-CZ2 3.76Å
540	F	97.4	Very high	95.1	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.009	20%	0.199	C	C	.	.	H	α-helix	trans	-77.1	-33.7	172.8	-52.8	-64.4	0	0	0	111.2	D538 V542 D543 Q544 V594 L759 Q762 W763	D538-F540 PolarHBondContact O-N 2.88Å; D538-F540 WeakPolarHBondContact OD1-CA 3.35Å; D538-F540 WeakPolarHBondContact OD1-CB 3.47Å; D538-F540 PolarHBondContact OD1-N 3.48Å; F540-V542 VanDerWaalsContact C-N 3.29Å; F540-D543 PolarHBondContact O-N 3.17Å; F540-Q544 VanDerWaalsContact O-CG 3.26Å; F540-Q544 WeakPolarHBondContact O-CG 3.3Å; F540-Q544 PolarHBondContact O-N 3.21Å; F540-Q544 PolarHBondContact O-NE2 2.93Å; F540-V594 HydrophobicContact CD1-CG1 4.05Å; F540-V594 HydrophobicContact CE1-CG1 4.26Å; F540-L759 HydrophobicContact CD2-CD2 3.8Å; F540-L759 HydrophobicContact CE2-CB 4.5Å; F540-L759 HydrophobicContact CE2-CD2 4.04Å; F540-Q762 HydrophobicContact CD2-CB 4.12Å; F540-Q762 HydrophobicContact CD2-CG 4.49Å; F540-Q762 HydrophobicContact CE2-CB 3.46Å; F540-Q762 VanDerWaalsContact CE2-CB 3.46Å; F540-Q762 HydrophobicContact CE2-CG 4.27Å; F540-Q762 HydrophobicContact CZ-CB 3.74Å; F540-W763 HydrophobicContact CE1-CD2 4.2Å; F540-W763 AromaticContact CE1-CE2 3.98Å; F540-W763 HydrophobicContact CE1-CE3 4.22Å; F540-W763 AromaticContact CE1-CH2 3.76Å; F540-W763 HydrophobicContact CE1-CH2 3.76Å; F540-W763 AromaticContact CE1-CZ2 3.77Å; F540-W763 HydrophobicContact CE1-CZ2 3.77Å; F540-W763 HydrophobicContact CE1-CZ3 4.01Å; F540-W763 AromaticContact CZ-CD2 3.55Å; F540-W763 HydrophobicContact CZ-CD2 3.55Å; F540-W763 AromaticContact CZ-CE2 3.42Å; F540-W763 VanDerWaalsContact CZ-CE2 3.42Å; F540-W763 AromaticContact CZ-CE3 3.98Å; F540-W763 HydrophobicContact CZ-CE3 3.98Å; F540-W763 AromaticContact CZ-CG 3.98Å; F540-W763 HydrophobicContact CZ-CG 3.98Å; F540-W763 HydrophobicContact CZ-CH2 4.06Å; F540-W763 AromaticContact CZ-CZ2 3.7Å; F540-W763 HydrophobicContact CZ-CZ2 3.7Å; F540-W763 HydrophobicContact CZ-CZ3 4.21Å; F540-W763 AromaticContact CZ-NE1 3.85Å
541	E	95.9	Very high	95.3	Very high	47 Å²	47	32.2 Å²	32.2	22%	0.22	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-36.9	168.2	-174.1	168.8	-128.8	0	0	111.1	K523 L527 D538 Q544 L545	K523-E541 WeakPolarHBondContact CE-OE1 3.42Å; K523-E541 IonicContact NZ-OE1 3.17Å; K523-E541 PolarHBondContact NZ-OE1 3.49Å; L527-E541 HydrophobicContact CD2-CB 4.16Å; L527-E541 HydrophobicContact CD2-CG 3.93Å; D538-E541 HydrophobicContact CB-CB 3.85Å; D538-E541 WeakPolarHBondContact O-CB 3.17Å; D538-E541 PolarHBondContact O-N 3.5Å; D538-E541 PolarHBondContact OD1-N 3.37Å; E541-Q544 PolarHBondContact O-N 3.36Å; E541-L545 HydrophobicContact CG-CD1 3.82Å; E541-L545 HydrophobicContact CG-CG 4.39Å; E541-L545 VanDerWaalsContact O-CB 3.29Å; E541-L545 WeakPolarHBondContact O-CB 3.41Å; E541-L545 WeakPolarHBondContact O-CD1 3.43Å; E541-L545 WeakPolarHBondContact O-CG 3.35Å; E541-L545 PolarHBondContact O-N 3Å
542	V	95.2	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-49	171.8	180	0	0	0	0	111.5	L524 L527 I537 D538 I539 F540 Q544 L545 T546 P549 I553	L524-V542 HydrophobicContact CD1-CG1 4.15Å; L524-V542 HydrophobicContact CD1-CG2 4.48Å; L527-V542 HydrophobicContact CD2-CG2 3.69Å; I537-V542 HydrophobicContact CD1-CG2 4.34Å; D538-V542 PolarHBondContact O-N 3.36Å; D538-V542 VanDerWaalsContact O-N 3.17Å; I539-V542 HydrophobicContact CD1-CB 4.35Å; I539-V542 HydrophobicContact CD1-CG2 4.44Å; I539-V542 WeakPolarHBondContact O-CB 3.42Å; I539-V542 PolarHBondContact O-N 3.03Å; F540-V542 VanDerWaalsContact C-N 3.29Å; V542-Q544 VanDerWaalsContact C-N 3.31Å; V542-Q544 PolarHBondContact O-N 3.38Å; V542-L545 CarbonylContact O-C 3.59Å; V542-L545 PolarHBondContact O-N 3.3Å; V542-T546 HydrophobicContact CG1-CG2 4.07Å; V542-T546 VanDerWaalsContact O-CG2 3.28Å; V542-T546 WeakPolarHBondContact O-CG2 3.33Å; V542-T546 PolarHBondContact O-N 3.49Å; V542-P549 HydrophobicContact CG1-CB 4.01Å; V542-I553 HydrophobicContact CG1-CD1 4.4Å; V542-I553 HydrophobicContact CG1-CG1 4.18Å; V542-I553 HydrophobicContact CG2-CD1 4.41Å
543	D	95.2	Very high	95.4	Very high	45 Å²	45	30.9 Å²	30.9	24%	0.241	16%	0.163	C	C	.	.	H	α-helix	trans	-63	-31.2	176.8	-179.6	60.2	0	0	0	113.2	I539 F540 P549 R593 V594	I539-D543 PolarHBondContact O-N 3.12Å; F540-D543 PolarHBondContact O-N 3.17Å; D543-P549 HydrophobicContact CB-CB 4.3Å; D543-P549 HydrophobicContact CB-CG 4.18Å; D543-R593 IonicContact OD1-NH1 3.85Å; D543-R593 PolarHBondContact OD1-NH1 2.97Å; D543-V594 HydrophobicContact CB-CG1 4.16Å; D543-V594 HydrophobicContact CB-CG2 3.78Å; D543-V594 WeakPolarHBondContact OD1-CG2 3.39Å
544	Q	95	Very high	95.5	Very high	133 Å²	133	27.7 Å²	27.7	62%	0.621	15%	0.146	S	C	*	.	H	α-helix	trans	-71.9	-30.2	171.2	-71.3	169.2	41.6	0	0	112.9	T519 F540 E541 V542	T519-Q544 PolarHBondContact OG1-O 3.47Å; F540-Q544 VanDerWaalsContact O-CG 3.26Å; F540-Q544 WeakPolarHBondContact O-CG 3.3Å; F540-Q544 PolarHBondContact O-N 3.21Å; F540-Q544 PolarHBondContact O-NE2 2.93Å; E541-Q544 PolarHBondContact O-N 3.36Å; V542-Q544 VanDerWaalsContact C-N 3.31Å; V542-Q544 PolarHBondContact O-N 3.38Å
545	L	93.9	Very high	95.5	Very high	9 Å²	9	23.3 Å²	23.3	5%	0.047	12%	0.123	C	C	.	.	H	α-helix	trans	-88.7	-20.2	-176.5	-74.2	172.4	0	0	0	113.8	S518 T519 N520 K523 L524 L527 E541 V542	S518-L545 CarbonylContact C-O 3.58Å; S518-L545 WeakPolarHBondContact CA-O 3.3Å; S518-L545 VanDerWaalsContact CB-O 3.26Å; S518-L545 WeakPolarHBondContact CB-O 3.44Å; S518-L545 PolarHBondContact OG-O 2.94Å; T519-L545 PolarHBondContact N-O 3.42Å; T519-L545 VanDerWaalsContact N-O 3.07Å; T519-L545 PolarHBondContact OG1-O 2.87Å; N520-L545 HydrophobicContact CB-CD2 3.86Å; K523-L545 HydrophobicContact CB-CD1 4.41Å; K523-L545 HydrophobicContact CB-CD2 4.24Å; K523-L545 HydrophobicContact CD-CD1 4.34Å; K523-L545 HydrophobicContact CD-CD2 4.15Å; K523-L545 HydrophobicContact CG-CD1 4.07Å; K523-L545 HydrophobicContact CG-CD2 4.38Å; L524-L545 HydrophobicContact CB-CB 4.18Å; L524-L545 HydrophobicContact CB-CD1 4.21Å; L524-L545 HydrophobicContact CD1-CB 4.08Å; L524-L545 HydrophobicContact CD1-CD1 4.34Å; L524-L545 HydrophobicContact CD2-CB 4.42Å; L524-L545 HydrophobicContact CG-CB 4.45Å; L527-L545 HydrophobicContact CD2-CD1 4.18Å; E541-L545 HydrophobicContact CG-CD1 3.82Å; E541-L545 HydrophobicContact CG-CG 4.39Å; E541-L545 VanDerWaalsContact O-CB 3.29Å; E541-L545 WeakPolarHBondContact O-CB 3.41Å; E541-L545 WeakPolarHBondContact O-CD1 3.43Å; E541-L545 WeakPolarHBondContact O-CG 3.35Å; E541-L545 PolarHBondContact O-N 3Å; V542-L545 CarbonylContact O-C 3.59Å; V542-L545 PolarHBondContact O-N 3.3Å
546	T	92.2	Very high	95.4	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-142.1	145	175.9	177.9	0	0	0	0	112.9	I516 N517 L524 V542 N548 P549 C552	I516-T546 HydrophobicContact CG2-CG2 4.32Å; I516-T546 WeakPolarHBondContact CG2-OG1 3.44Å; N517-T546 VanDerWaalsContact O-CA 3.27Å; N517-T546 WeakPolarHBondContact O-CA 3.48Å; N517-T546 WeakPolarHBondContact O-CB 3.28Å; N517-T546 PolarHBondContact O-OG1 3.45Å; L524-T546 HydrophobicContact CD2-CG2 4.02Å; V542-T546 HydrophobicContact CG1-CG2 4.07Å; V542-T546 VanDerWaalsContact O-CG2 3.28Å; V542-T546 WeakPolarHBondContact O-CG2 3.33Å; V542-T546 PolarHBondContact O-N 3.49Å; T546-N548 PolarHBondContact O-N 2.93Å; T546-N548 PolarHBondContact OG1-N 3.31Å; T546-N548 VanDerWaalsContact OG1-N 3.09Å; T546-P549 HydrophobicContact CG2-CB 4.47Å; T546-C552 HydrophobicContact CG2-CB 4.04Å
547	T	89.8	Confident	95.5	Very high	82 Å²	82	20.7 Å²	20.7	50%	0.503	11%	0.107	S	C	.	.	S	Bend	trans	-65.1	-13.6	170.6	53.1	0	0	0	0	113.6	N517	N517-T547 PolarHBondContact O-N 2.83Å
548	N	92.8	Very high	95.5	Very high	31 Å²	31	20.6 Å²	20.6	17%	0.166	11%	0.107	C	C	.	.			trans	-132.5	60	-168.5	-72.1	96.2	0	0	0	112.1	T546 L550 T551 C552 E582	T546-N548 PolarHBondContact O-N 2.93Å; T546-N548 PolarHBondContact OG1-N 3.31Å; T546-N548 VanDerWaalsContact OG1-N 3.09Å; N548-L550 VanDerWaalsContact C-N 3.34Å; N548-L550 PolarHBondContact O-N 3.44Å; N548-T551 PolarHBondContact O-N 3.32Å; N548-C552 WeakPolarHBondContact O-CB 3.24Å; N548-C552 PolarHBondContact O-N 3.03Å; N548-E582 VanDerWaalsContact CA-CD 3.48Å; N548-E582 VanDerWaalsContact CA-OE1 3.24Å; N548-E582 WeakPolarHBondContact CA-OE1 3.29Å; N548-E582 VanDerWaalsContact CA-OE2 3.26Å; N548-E582 WeakPolarHBondContact CA-OE2 3.37Å; N548-E582 WeakPolarHBondContact CB-OE2 3.42Å; N548-E582 PolarHBondContact ND2-OE2 3.42Å
549	P	95.6	Very high	95.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.3	-39.7	-177.6	25.3	-36.3	0	0	0	113.6	V542 D543 T546 C552 I553 E582 R593 V594 A597	V542-P549 HydrophobicContact CG1-CB 4.01Å; D543-P549 HydrophobicContact CB-CB 4.3Å; D543-P549 HydrophobicContact CB-CG 4.18Å; T546-P549 HydrophobicContact CG2-CB 4.47Å; P549-C552 PolarHBondContact O-N 3.11Å; P549-I553 WeakPolarHBondContact O-CB 3.41Å; P549-I553 WeakPolarHBondContact O-CG1 3.36Å; P549-I553 PolarHBondContact O-N 2.89Å; P549-E582 WeakPolarHBondContact CD-OE1 3.47Å; P549-E582 VanDerWaalsContact N-OE1 3.08Å; P549-R593 HydrophobicContact CG-CG 4.28Å; P549-V594 HydrophobicContact CG-CG2 4.3Å; P549-A597 HydrophobicContact CB-CB 4.43Å
550	L	97.6	Very high	95.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.3	-49.9	-179.3	174.6	61.5	0	0	0	111	N548 C552 I553 F554 M578 V581 E582 Y585 R593 A596 A597 V600 A629	N548-L550 VanDerWaalsContact C-N 3.34Å; N548-L550 PolarHBondContact O-N 3.44Å; L550-C552 VanDerWaalsContact C-N 3.26Å; L550-C552 PolarHBondContact O-N 3.05Å; L550-I553 PolarHBondContact O-N 3.5Å; L550-F554 WeakPolarHBondContact O-CB 3.45Å; L550-F554 PolarHBondContact O-N 2.99Å; L550-M578 HydrophobicContact CD1-CE 4.35Å; L550-M578 HydrophobicContact CD2-CE 4.13Å; L550-M578 HydrophobicContact CG-CE 3.87Å; L550-V581 HydrophobicContact CD2-CG1 4.09Å; L550-E582 HydrophobicContact CB-CG 4.25Å; L550-E582 WeakPolarHBondContact CB-OE1 3.34Å; L550-E582 HydrophobicContact CD2-CB 4.46Å; L550-E582 PolarHBondContact N-OE1 3.29Å; L550-Y585 HydrophobicContact CD2-CD2 3.97Å; L550-Y585 HydrophobicContact CD2-CE2 3.53Å; L550-R593 HydrophobicContact CB-CB 4.28Å; L550-A596 HydrophobicContact CD1-CB 4Å; L550-A596 HydrophobicContact CD2-CB 4.09Å; L550-A597 HydrophobicContact CB-CB 4.29Å; L550-A597 HydrophobicContact CD1-CB 4.4Å; L550-V600 HydrophobicContact CD1-CG2 4.13Å; L550-A629 HydrophobicContact CD1-CB 4.1Å
551	T	96.8	Very high	95.3	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-60.4	-40.2	176.7	-58.2	0	0	0	0	110.7	N548 Y555 L575 M578 E582	N548-T551 PolarHBondContact O-N 3.32Å; T551-Y555 WeakPolarHBondContact O-CB 3.33Å; T551-Y555 PolarHBondContact O-N 2.95Å; T551-L575 HydrophobicContact CG2-CD2 4.09Å; T551-M578 HydrophobicContact CG2-CB 3.85Å; T551-M578 PolarHBondContact OG1-O 2.87Å; T551-E582 VanDerWaalsContact CB-OE2 3.24Å; T551-E582 WeakPolarHBondContact CB-OE2 3.24Å; T551-E582 PolarHBondContact N-OE2 3.4Å; T551-E582 PolarHBondContact OG1-OE2 3.25Å
552	C	95.4	Very high	95.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-55	178.5	-174.3	0	0	0	0	112.5	I516 T546 N548 P549 L550 N556	I516-C552 HydrophobicContact CD1-CB 4.13Å; I516-C552 HydrophobicContact CG1-CB 4.46Å; I516-C552 HydrophobicContact CG2-CB 3.82Å; T546-C552 HydrophobicContact CG2-CB 4.04Å; N548-C552 WeakPolarHBondContact O-CB 3.24Å; N548-C552 PolarHBondContact O-N 3.03Å; P549-C552 PolarHBondContact O-N 3.11Å; L550-C552 VanDerWaalsContact C-N 3.26Å; L550-C552 PolarHBondContact O-N 3.05Å; C552-N556 WeakPolarHBondContact O-CB 3.4Å; C552-N556 PolarHBondContact O-N 3.16Å; C552-N556 VanDerWaalsContact O-N 3.1Å; C552-N556 PolarHBondContact O-ND2 3.07Å
553	I	96.9	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-48.1	-178.8	-72.1	-71.6	0	0	0	110.8	L528 L532 I537 I539 V542 P549 L550 Y555 N556 I557 A597 V600 Q601	L528-I553 HydrophobicContact CD2-CD1 3.72Å; L532-I553 HydrophobicContact CD1-CD1 3.86Å; I537-I553 HydrophobicContact CD1-CD1 4.39Å; I539-I553 HydrophobicContact CD1-CD1 4.1Å; I539-I553 HydrophobicContact CD1-CG1 3.87Å; V542-I553 HydrophobicContact CG1-CD1 4.4Å; V542-I553 HydrophobicContact CG1-CG1 4.18Å; V542-I553 HydrophobicContact CG2-CD1 4.41Å; P549-I553 WeakPolarHBondContact O-CB 3.41Å; P549-I553 WeakPolarHBondContact O-CG1 3.36Å; P549-I553 PolarHBondContact O-N 2.89Å; L550-I553 PolarHBondContact O-N 3.5Å; I553-Y555 PolarHBondContact O-N 2.92Å; I553-N556 PolarHBondContact O-N 3.39Å; I553-I557 HydrophobicContact CG2-CD1 3.63Å; I553-I557 WeakPolarHBondContact O-CB 3.2Å; I553-I557 WeakPolarHBondContact O-CG1 3.49Å; I553-I557 PolarHBondContact O-N 3.31Å; I553-A597 HydrophobicContact CB-CB 4.43Å; I553-A597 HydrophobicContact CG1-CB 4.37Å; I553-V600 HydrophobicContact CG2-CB 4.41Å; I553-V600 HydrophobicContact CG2-CG1 4.05Å; I553-Q601 HydrophobicContact CG2-CB 3.98Å
554	F	97.8	Very high	95.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.7	-49.5	-179.7	-172	-86.5	0	0	0	112	L550 N556 I557 V558 L574 M578 V600 F622 L625 F626 A629	L550-F554 WeakPolarHBondContact O-CB 3.45Å; L550-F554 PolarHBondContact O-N 2.99Å; F554-N556 PolarHBondContact O-N 2.58Å; F554-I557 PolarHBondContact O-N 3.21Å; F554-V558 HydrophobicContact CD1-CG2 3.91Å; F554-V558 HydrophobicContact CE1-CB 4.37Å; F554-V558 HydrophobicContact CE1-CG2 3.45Å; F554-V558 VanDerWaalsContact CE1-CG2 3.45Å; F554-V558 HydrophobicContact CE2-CG2 4.3Å; F554-V558 HydrophobicContact CG-CG2 4.49Å; F554-V558 HydrophobicContact CZ-CG2 3.69Å; F554-V558 WeakPolarHBondContact O-CB 2.95Å; F554-V558 WeakPolarHBondContact O-CG2 3.49Å; F554-V558 PolarHBondContact O-N 3.24Å; F554-L574 HydrophobicContact CD1-CD1 4.15Å; F554-L574 HydrophobicContact CD1-CD2 4.36Å; F554-L574 HydrophobicContact CE1-CD1 3.58Å; F554-L574 HydrophobicContact CE1-CD2 4.13Å; F554-L574 HydrophobicContact CE1-CG 4.37Å; F554-M578 HydrophobicContact CB-CE 4.12Å; F554-M578 HydrophobicContact CD1-CE 4.39Å; F554-M578 HydrophobicContact CD1-CG 3.81Å; F554-M578 HydrophobicContact CD1-SD 3.86Å; F554-M578 HydrophobicContact CD2-CE 4.39Å; F554-M578 HydrophobicContact CD2-SD 4.46Å; F554-M578 HydrophobicContact CE1-CG 4.3Å; F554-M578 HydrophobicContact CE1-SD 4.1Å; F554-M578 HydrophobicContact CG-CE 4.03Å; F554-M578 HydrophobicContact CG-CG 4.37Å; F554-M578 HydrophobicContact CG-SD 4.06Å; F554-M578 HydrophobicContact CZ-SD 4.48Å; F554-V600 HydrophobicContact CD2-CG1 4.1Å; F554-V600 HydrophobicContact CD2-CG2 4.44Å; F554-F622 HydrophobicContact CE1-CE2 4.49Å; F554-F622 HydrophobicContact CZ-CE2 4.18Å; F554-L625 HydrophobicContact CE2-CB 4.14Å; F554-L625 WeakPolarHBondContact CE2-O 3.44Å; F554-F626 HydrophobicContact CZ-CB 4.48Å; F554-F626 HydrophobicContact CZ-CD2 4.41Å; F554-A629 HydrophobicContact CD2-CB 3.66Å; F554-A629 HydrophobicContact CE2-CB 3.9Å
555	Y	96	Very high	95.4	Very high	9 Å²	9	28 Å²	28	4%	0.035	14%	0.137	C	C	.	.	H	α-helix	trans	-59.5	-48.5	179.9	177.8	-91.8	0	0	0	111.8	T551 I553 I557 V558 Q559 L564 E571 L574 L575	T551-Y555 WeakPolarHBondContact O-CB 3.33Å; T551-Y555 PolarHBondContact O-N 2.95Å; I553-Y555 PolarHBondContact O-N 2.92Å; Y555-I557 VanDerWaalsContact C-N 3.33Å; Y555-I557 PolarHBondContact O-N 3.46Å; Y555-V558 PolarHBondContact O-N 2.94Å; Y555-Q559 VanDerWaalsContact O-CB 3.32Å; Y555-Q559 WeakPolarHBondContact O-CB 3.46Å; Y555-Q559 PolarHBondContact O-N 3.47Å; Y555-L564 HydrophobicContact CE2-CD1 4.27Å; Y555-E571 HydrophobicContact CE2-CG 3.75Å; Y555-E571 PolarHBondContact OH-OE1 3.19Å; Y555-L574 HydrophobicContact CD2-CD2 4.41Å; Y555-L575 HydrophobicContact CD2-CD2 3.66Å; Y555-L575 HydrophobicContact CD2-CG 4.21Å; Y555-L575 HydrophobicContact CE2-CD1 4.45Å; Y555-L575 HydrophobicContact CE2-CD2 4.13Å; Y555-L575 HydrophobicContact CE2-CG 4.33Å; Y555-L575 HydrophobicContact CG-CD2 4.18Å
556	N	95.2	Very high	95.4	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.053	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-39.9	-179.9	-82	-90.9	0	0	0	112	Y372 L532 C552 I553 F554 K560	Y372-N556 VanDerWaalsContact CD1-OD1 3.23Å; Y372-N556 WeakPolarHBondContact CD1-OD1 3.46Å; Y372-N556 WeakPolarHBondContact CE1-OD1 3.39Å; L532-N556 HydrophobicContact CD2-CB 4.08Å; C552-N556 WeakPolarHBondContact O-CB 3.4Å; C552-N556 PolarHBondContact O-N 3.16Å; C552-N556 VanDerWaalsContact O-N 3.1Å; C552-N556 PolarHBondContact O-ND2 3.07Å; I553-N556 PolarHBondContact O-N 3.39Å; F554-N556 PolarHBondContact O-N 2.58Å; N556-K560 WeakPolarHBondContact O-CB 3.43Å; N556-K560 PolarHBondContact O-N 3.38Å
557	I	97.3	Very high	95.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-66	-47.1	176.5	-73	163.6	0	0	0	111.5	L532 I553 F554 Y555 Q559 K560 R561 V600 Q601 H604 L625	L532-I557 HydrophobicContact CD1-CD1 4.17Å; L532-I557 HydrophobicContact CD1-CG1 3.96Å; L532-I557 HydrophobicContact CD2-CG1 4.09Å; L532-I557 HydrophobicContact CG-CG1 4.18Å; I553-I557 HydrophobicContact CG2-CD1 3.63Å; I553-I557 WeakPolarHBondContact O-CB 3.2Å; I553-I557 WeakPolarHBondContact O-CG1 3.49Å; I553-I557 PolarHBondContact O-N 3.31Å; F554-I557 PolarHBondContact O-N 3.21Å; Y555-I557 VanDerWaalsContact C-N 3.33Å; Y555-I557 PolarHBondContact O-N 3.46Å; I557-Q559 VanDerWaalsContact C-N 3.34Å; I557-Q559 PolarHBondContact O-N 3.44Å; I557-K560 PolarHBondContact O-N 3.39Å; I557-R561 WeakPolarHBondContact O-CB 3.37Å; I557-R561 PolarHBondContact O-N 3.18Å; I557-V600 HydrophobicContact CD1-CG1 3.86Å; I557-Q601 HydrophobicContact CD1-CB 4.48Å; I557-H604 HydrophobicContact CD1-CB 3.71Å; I557-H604 HydrophobicContact CG1-CB 4.14Å; I557-H604 HydrophobicContact CG2-CB 4.11Å; I557-H604 WeakPolarHBondContact CG2-ND1 3.44Å; I557-L625 HydrophobicContact CG2-CD1 3.61Å; I557-L625 HydrophobicContact CG2-CD2 3.98Å; I557-L625 HydrophobicContact CG2-CG 4.43Å
558	V	96.5	Very high	95.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.2	-35.8	-178.2	172.4	0	0	0	0	111.5	F554 Y555 N562 L563 L564 L574 F622	F554-V558 HydrophobicContact CD1-CG2 3.91Å; F554-V558 HydrophobicContact CE1-CB 4.37Å; F554-V558 HydrophobicContact CE1-CG2 3.45Å; F554-V558 VanDerWaalsContact CE1-CG2 3.45Å; F554-V558 HydrophobicContact CE2-CG2 4.3Å; F554-V558 HydrophobicContact CG-CG2 4.49Å; F554-V558 HydrophobicContact CZ-CG2 3.69Å; F554-V558 WeakPolarHBondContact O-CB 2.95Å; F554-V558 WeakPolarHBondContact O-CG2 3.49Å; F554-V558 PolarHBondContact O-N 3.24Å; Y555-V558 PolarHBondContact O-N 2.94Å; V558-N562 PolarHBondContact O-N 2.92Å; V558-L563 HydrophobicContact CG1-CB 3.84Å; V558-L563 HydrophobicContact CG2-CD1 4.43Å; V558-L563 PolarHBondContact O-N 3.12Å; V558-L564 HydrophobicContact CG1-CD2 3.71Å; V558-L564 HydrophobicContact CG1-CG 3.95Å; V558-L574 HydrophobicContact CG1-CD2 4.16Å; V558-F622 HydrophobicContact CG1-CD2 4.38Å; V558-F622 HydrophobicContact CG1-CE2 4.14Å; V558-F622 HydrophobicContact CG2-CD2 4.36Å; V558-F622 HydrophobicContact CG2-CE2 4.28Å
559	Q	94.5	Very high	96.1	Very high	57 Å²	57	31.3 Å²	31.3	27%	0.266	15%	0.154	S	C	.	.	H	α-helix	trans	-66.2	-48	170.5	-171.2	-177.9	7.6	0	0	111.3	Y555 I557 R561 N562 L564	Y555-Q559 VanDerWaalsContact O-CB 3.32Å; Y555-Q559 WeakPolarHBondContact O-CB 3.46Å; Y555-Q559 PolarHBondContact O-N 3.47Å; I557-Q559 VanDerWaalsContact C-N 3.34Å; I557-Q559 PolarHBondContact O-N 3.44Å; Q559-R561 PolarHBondContact O-N 3.45Å; Q559-N562 WeakPolarHBondContact O-CA 3.28Å; Q559-N562 PolarHBondContact O-N 2.91Å; Q559-L564 HydrophobicContact CB-CD1 4.28Å
560	K	94.8	Very high	96	Very high	100 Å²	100	33 Å²	33	44%	0.435	17%	0.165	S	C	.	.	H	α-helix	trans	-62.8	-37.6	-179.1	-174.6	169.8	-171.6	173.6	0	113.5	L532 D533 N556 I557 N562	L532-K560 HydrophobicContact CD2-CD 4.17Å; D533-K560 WeakPolarHBondContact OD1-CE 3.15Å; D533-K560 IonicContact OD1-NZ 2.73Å; D533-K560 PolarHBondContact OD1-NZ 2.64Å; D533-K560 WeakPolarHBondContact OD2-CE 3.24Å; D533-K560 IonicContact OD2-NZ 2.6Å; D533-K560 PolarHBondContact OD2-NZ 3.34Å; N556-K560 WeakPolarHBondContact O-CB 3.43Å; N556-K560 PolarHBondContact O-N 3.38Å; I557-K560 PolarHBondContact O-N 3.39Å; K560-N562 PolarHBondContact O-N 3.48Å
561	R	96	Very high	95.8	Very high	48 Å²	48	37.1 Å²	37.1	18%	0.181	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	3.3	173.2	-67.2	-173.8	177.2	-80.3	-5.6	113.6	I557 Q559 L563 H604 N608	I557-R561 WeakPolarHBondContact O-CB 3.37Å; I557-R561 PolarHBondContact O-N 3.18Å; Q559-R561 PolarHBondContact O-N 3.45Å; R561-L563 HydrophobicContact CB-CD1 3.8Å; R561-L563 HydrophobicContact CB-CD2 4.43Å; R561-L563 HydrophobicContact CB-CG 3.71Å; R561-L563 PolarHBondContact O-N 3.31Å; R561-H604 VanDerWaalsContact CZ-ND1 3.33Å; R561-H604 PolarHBondContact NE-ND1 3.07Å; R561-H604 PolarHBondContact NH2-CE1 3.5Å; R561-H604 PolarHBondContact NH2-ND1 2.67Å; R561-H604 PolarHBondContact NH2-O 2.75Å; R561-N608 PolarHBondContact NH2-OD1 3.37Å
562	N	96.7	Very high	95.7	Very high	66 Å²	66	43 Å²	43	35%	0.353	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	29.9	-176.2	-161.6	24.8	0	0	0	114.7	V558 Q559 K560 Q565 K566	V558-N562 PolarHBondContact O-N 2.92Å; Q559-N562 WeakPolarHBondContact O-CA 3.28Å; Q559-N562 PolarHBondContact O-N 2.91Å; K560-N562 PolarHBondContact O-N 3.48Å; N562-Q565 PolarHBondContact ND2-OE1 3.48Å; N562-Q565 WeakPolarHBondContact OD1-CB 3.15Å; N562-Q565 PolarHBondContact OD1-OE1 2.68Å; N562-K566 VanDerWaalsContact O-CG 3.24Å; N562-K566 WeakPolarHBondContact O-CG 3.38Å; N562-K566 PolarHBondContact O-N 3.09Å
563	L	96.7	Very high	95.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-74.9	-29.7	-175.4	-61.1	170.4	0	0	0	111.6	V558 R561 Q565 K566 F567 D618 I621 F622 L625	V558-L563 HydrophobicContact CG1-CB 3.84Å; V558-L563 HydrophobicContact CG2-CD1 4.43Å; V558-L563 PolarHBondContact O-N 3.12Å; R561-L563 HydrophobicContact CB-CD1 3.8Å; R561-L563 HydrophobicContact CB-CD2 4.43Å; R561-L563 HydrophobicContact CB-CG 3.71Å; R561-L563 PolarHBondContact O-N 3.31Å; L563-Q565 PolarHBondContact O-N 2.91Å; L563-K566 HydrophobicContact CD2-CD 4.47Å; L563-K566 PolarHBondContact O-N 2.85Å; L563-F567 HydrophobicContact CB-CD2 4.46Å; L563-F567 HydrophobicContact CD2-CE2 4.08Å; L563-F567 WeakPolarHBondContact O-CD2 3.26Å; L563-F567 PolarHBondContact O-N 3.49Å; L563-F567 VanDerWaalsContact O-N 3.11Å; L563-D618 HydrophobicContact CD2-CB 4.24Å; L563-I621 HydrophobicContact CD1-CG2 4.08Å; L563-I621 HydrophobicContact CD2-CG2 4.44Å; L563-F622 HydrophobicContact CB-CD2 4.27Å; L563-F622 HydrophobicContact CD1-CB 4.16Å; L563-F622 HydrophobicContact CD1-CD2 4.15Å; L563-L625 HydrophobicContact CD1-CD1 4.13Å
564	L	94.9	Very high	95.6	Very high	25 Å²	25	43.8 Å²	43.8	13%	0.131	21%	0.21	C	C	.	.	H	α-helix	trans	-53.8	-51.8	173.1	-65.1	-179.1	0	0	0	111.7	Y555 V558 Q559 A568 I569 L574	Y555-L564 HydrophobicContact CE2-CD1 4.27Å; V558-L564 HydrophobicContact CG1-CD2 3.71Å; V558-L564 HydrophobicContact CG1-CG 3.95Å; Q559-L564 HydrophobicContact CB-CD1 4.28Å; L564-A568 WeakPolarHBondContact O-CA 3.34Å; L564-A568 PolarHBondContact O-N 3.06Å; L564-A568 VanDerWaalsContact O-N 3.09Å; L564-I569 HydrophobicContact CD2-CB 4.2Å; L564-I569 HydrophobicContact CD2-CG2 4.19Å; L564-I569 PolarHBondContact O-N 3.29Å; L564-L574 HydrophobicContact CD2-CD2 3.62Å
565	Q	95.2	Very high	95.5	Very high	143 Å²	143	44.3 Å²	44.3	67%	0.668	21%	0.213	S	C	*	.	H	α-helix	trans	-71.1	-45.4	-178.3	-167.1	-176.1	34.3	0	0	111.5	N562 L563 F567 A568	N562-Q565 PolarHBondContact ND2-OE1 3.48Å; N562-Q565 WeakPolarHBondContact OD1-CB 3.15Å; N562-Q565 PolarHBondContact OD1-OE1 2.68Å; L563-Q565 PolarHBondContact O-N 2.91Å; Q565-F567 VanDerWaalsContact C-N 3.28Å; Q565-F567 PolarHBondContact O-N 2.98Å; Q565-A568 PolarHBondContact O-N 2.72Å
566	K	95.2	Very high	95.4	Very high	105 Å²	105	44.8 Å²	44.8	46%	0.457	22%	0.216	S	C	.	.	H	α-helix	trans	-58.3	-37.1	-177.8	-74.6	176.7	178.2	-160.9	0	113.3	N562 L563 D618	N562-K566 VanDerWaalsContact O-CG 3.24Å; N562-K566 WeakPolarHBondContact O-CG 3.38Å; N562-K566 PolarHBondContact O-N 3.09Å; L563-K566 HydrophobicContact CD2-CD 4.47Å; L563-K566 PolarHBondContact O-N 2.85Å; K566-D618 HydrophobicContact CD-CB 4.26Å; K566-D618 WeakPolarHBondContact CD-OD2 3.4Å; K566-D618 IonicContact NZ-OD1 2.63Å; K566-D618 PolarHBondContact NZ-OD1 3.33Å; K566-D618 IonicContact NZ-OD2 2.75Å; K566-D618 PolarHBondContact NZ-OD2 2.92Å
567	F	95.8	Very high	95.6	Very high	23 Å²	23	44.3 Å²	44.3	10%	0.101	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	5.4	-179.5	-67.6	-65.6	0	0	0	114.4	L563 Q565 I569 D618 L619 F622 F683	L563-F567 HydrophobicContact CB-CD2 4.46Å; L563-F567 HydrophobicContact CD2-CE2 4.08Å; L563-F567 WeakPolarHBondContact O-CD2 3.26Å; L563-F567 PolarHBondContact O-N 3.49Å; L563-F567 VanDerWaalsContact O-N 3.11Å; Q565-F567 VanDerWaalsContact C-N 3.28Å; Q565-F567 PolarHBondContact O-N 2.98Å; F567-I569 HydrophobicContact CB-CD1 3.92Å; F567-I569 HydrophobicContact CB-CG1 3.81Å; F567-I569 PolarHBondContact O-N 2.99Å; F567-D618 HydrophobicContact CE2-CB 3.89Å; F567-D618 WeakPolarHBondContact CE2-O 3.19Å; F567-D618 HydrophobicContact CZ-CB 3.76Å; F567-L619 HydrophobicContact CD1-CD1 4.47Å; F567-L619 HydrophobicContact CE1-CB 4.37Å; F567-L619 HydrophobicContact CE1-CD1 3.77Å; F567-L619 HydrophobicContact CZ-CB 4.05Å; F567-L619 HydrophobicContact CZ-CD1 4.05Å; F567-F622 HydrophobicContact CD2-CB 4.42Å; F567-F622 HydrophobicContact CE2-CB 4.09Å; F567-F683 HydrophobicContact CB-CE1 3.64Å; F567-F683 HydrophobicContact CB-CZ 3.73Å; F567-F683 HydrophobicContact CD1-CE1 4.37Å; F567-F683 HydrophobicContact CD1-CE2 4.11Å; F567-F683 AromaticContact CD1-CZ 3.9Å; F567-F683 HydrophobicContact CD1-CZ 3.9Å; F567-F683 HydrophobicContact CD2-CZ 4.42Å; F567-F683 HydrophobicContact CG-CE1 4.16Å; F567-F683 HydrophobicContact CG-CE2 4.39Å; F567-F683 AromaticContact CG-CZ 3.75Å; F567-F683 HydrophobicContact CG-CZ 3.75Å
568	A	96.1	Very high	95.6	Very high	59 Å²	59	44.3 Å²	44.3	49%	0.488	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	39.9	-173.8	0	0	0	0	0	112.9	L564 Q565 P570 N682	L564-A568 WeakPolarHBondContact O-CA 3.34Å; L564-A568 PolarHBondContact O-N 3.06Å; L564-A568 VanDerWaalsContact O-N 3.09Å; Q565-A568 PolarHBondContact O-N 2.72Å; A568-P570 WeakPolarHBondContact O-CD 3.09Å; A568-N682 HydrophobicContact CB-CB 4.42Å; A568-N682 PolarHBondContact O-ND2 2.88Å
569	I	96.1	Very high	95.5	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.046	22%	0.223	C	C	.	.			trans	-69	122.1	-179.9	-65.9	162.7	0	0	0	108	L564 F567 E571 L574 F622 V679 F683	L564-I569 HydrophobicContact CD2-CB 4.2Å; L564-I569 HydrophobicContact CD2-CG2 4.19Å; L564-I569 PolarHBondContact O-N 3.29Å; F567-I569 HydrophobicContact CB-CD1 3.92Å; F567-I569 HydrophobicContact CB-CG1 3.81Å; F567-I569 PolarHBondContact O-N 2.99Å; I569-E571 PolarHBondContact O-N 3.02Å; I569-E571 VanDerWaalsContact O-N 3.14Å; I569-L574 HydrophobicContact CG2-CB 4Å; I569-F622 HydrophobicContact CD1-CD2 4.17Å; I569-F622 HydrophobicContact CD1-CE1 4.1Å; I569-F622 HydrophobicContact CD1-CE2 3.59Å; I569-F622 HydrophobicContact CD1-CZ 3.55Å; I569-V679 HydrophobicContact CG2-CG1 3.75Å; I569-F683 HydrophobicContact CD1-CE1 4.36Å; I569-F683 HydrophobicContact CD1-CZ 4.45Å; I569-F683 HydrophobicContact CG1-CE1 3.9Å; I569-F683 HydrophobicContact CG1-CZ 4.47Å
570	P	94.8	Very high	95.6	Very high	36 Å²	36	43.7 Å²	43.7	23%	0.234	22%	0.215	C	C	.	.			trans	-64	118.4	174.7	-18.5	31.8	0	0	0	109.5	A568 R572 N573 L574	A568-P570 WeakPolarHBondContact O-CD 3.09Å; P570-R572 PolarHBondContact O-N 2.79Å; P570-N573 HydrophobicContact CB-CB 4.05Å; P570-N573 HydrophobicContact CG-CB 4.43Å; P570-N573 WeakPolarHBondContact O-CA 3.34Å; P570-N573 WeakPolarHBondContact O-CB 3.24Å; P570-N573 PolarHBondContact O-N 3.35Å; P570-L574 PolarHBondContact O-N 3.3Å; P570-L574 VanDerWaalsContact O-N 3.07Å
571	E	93.6	Very high	95.8	Very high	86 Å²	86	38.9 Å²	38.9	40%	0.402	19%	0.194	S	C	.	.	H	α-helix	trans	-54.8	-41.5	-175.3	-164.1	-174.5	153.3	0	0	112.1	Y555 I569 N573 L574 L575	Y555-E571 HydrophobicContact CE2-CG 3.75Å; Y555-E571 PolarHBondContact OH-OE1 3.19Å; I569-E571 PolarHBondContact O-N 3.02Å; I569-E571 VanDerWaalsContact O-N 3.14Å; E571-N573 PolarHBondContact O-N 2.88Å; E571-L574 PolarHBondContact O-N 3.48Å; E571-L575 HydrophobicContact CG-CD1 4.39Å; E571-L575 WeakPolarHBondContact O-CG 3.45Å; E571-L575 PolarHBondContact O-N 3.13Å
572	R	94	Very high	95.8	Very high	127 Å²	127	36.8 Å²	36.8	48%	0.479	19%	0.186	S	C	.	.	H	α-helix	trans	-56.3	-45.8	172.1	177.8	-178.7	174.4	124.4	5.5	112.4	P570 L574 L575 L576	P570-R572 PolarHBondContact O-N 2.79Å; R572-L574 VanDerWaalsContact C-N 3.31Å; R572-L574 PolarHBondContact O-N 2.81Å; R572-L575 PolarHBondContact O-N 2.98Å; R572-L576 HydrophobicContact CG-CD1 3.89Å; R572-L576 HydrophobicContact CG-CG 4.42Å; R572-L576 WeakPolarHBondContact O-CB 3.32Å; R572-L576 VanDerWaalsContact O-CG 3.29Å; R572-L576 WeakPolarHBondContact O-CG 3.38Å; R572-L576 PolarHBondContact O-N 2.91Å
573	N	95.1	Very high	95.8	Very high	14 Å²	14	40.8 Å²	40.8	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-66.1	-38.7	-178.7	-66.1	21.9	0	0	0	110.6	P570 E571 Y577 G676 D678 E681	P570-N573 HydrophobicContact CB-CB 4.05Å; P570-N573 HydrophobicContact CG-CB 4.43Å; P570-N573 WeakPolarHBondContact O-CA 3.34Å; P570-N573 WeakPolarHBondContact O-CB 3.24Å; P570-N573 PolarHBondContact O-N 3.35Å; E571-N573 PolarHBondContact O-N 2.88Å; N573-Y577 VanDerWaalsContact O-CB 3.24Å; N573-Y577 WeakPolarHBondContact O-CB 3.41Å; N573-Y577 PolarHBondContact O-N 3Å; N573-G676 VanDerWaalsContact CA-O 3.24Å; N573-G676 WeakPolarHBondContact CA-O 3.48Å; N573-G676 WeakPolarHBondContact CB-O 3.42Å; N573-G676 PolarHBondContact OD1-O 2.97Å; N573-D678 PolarHBondContact ND2-O 2.96Å; N573-E681 PolarHBondContact ND2-OE2 2.92Å
574	L	95.6	Very high	95.9	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-47.7	177	-178	66.2	0	0	0	111.9	F554 Y555 V558 L564 I569 P570 E571 R572 L576 Y577 M578 V679	F554-L574 HydrophobicContact CD1-CD1 4.15Å; F554-L574 HydrophobicContact CD1-CD2 4.36Å; F554-L574 HydrophobicContact CE1-CD1 3.58Å; F554-L574 HydrophobicContact CE1-CD2 4.13Å; F554-L574 HydrophobicContact CE1-CG 4.37Å; Y555-L574 HydrophobicContact CD2-CD2 4.41Å; V558-L574 HydrophobicContact CG1-CD2 4.16Å; L564-L574 HydrophobicContact CD2-CD2 3.62Å; I569-L574 HydrophobicContact CG2-CB 4Å; P570-L574 PolarHBondContact O-N 3.3Å; P570-L574 VanDerWaalsContact O-N 3.07Å; E571-L574 PolarHBondContact O-N 3.48Å; R572-L574 VanDerWaalsContact C-N 3.31Å; R572-L574 PolarHBondContact O-N 2.81Å; L574-L576 PolarHBondContact O-N 2.9Å; L574-Y577 PolarHBondContact O-N 3.25Å; L574-M578 HydrophobicContact CD1-CG 3.83Å; L574-M578 HydrophobicContact CG-CG 4.21Å; L574-M578 WeakPolarHBondContact O-CB 3.41Å; L574-M578 WeakPolarHBondContact O-CG 3.37Å; L574-M578 PolarHBondContact O-N 2.98Å; L574-V679 HydrophobicContact CD1-CG1 3.76Å; L574-V679 HydrophobicContact CD1-CG2 4.15Å
575	L	95	Very high	96	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.063	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-41.3	179.5	-70.4	170.8	0	0	0	111.8	L373 T551 Y555 E571 R572 T579	L373-L575 HydrophobicContact CD2-CD1 4.49Å; T551-L575 HydrophobicContact CG2-CD2 4.09Å; Y555-L575 HydrophobicContact CD2-CD2 3.66Å; Y555-L575 HydrophobicContact CD2-CG 4.21Å; Y555-L575 HydrophobicContact CE2-CD1 4.45Å; Y555-L575 HydrophobicContact CE2-CD2 4.13Å; Y555-L575 HydrophobicContact CE2-CG 4.33Å; Y555-L575 HydrophobicContact CG-CD2 4.18Å; E571-L575 HydrophobicContact CG-CD1 4.39Å; E571-L575 WeakPolarHBondContact O-CG 3.45Å; E571-L575 PolarHBondContact O-N 3.13Å; R572-L575 PolarHBondContact O-N 2.98Å; L575-T579 VanDerWaalsContact O-CB 3.32Å; L575-T579 WeakPolarHBondContact O-CB 3.47Å; L575-T579 PolarHBondContact O-N 3.29Å; L575-T579 PolarHBondContact O-OG1 3.16Å
576	L	95.4	Very high	96.1	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.099	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-50.1	173.1	-76.5	173.4	0	0	0	111.8	Y514 R572 L574 T579 A580 G676	Y514-L576 HydrophobicContact CD1-CD2 4.22Å; Y514-L576 HydrophobicContact CE1-CD2 3.58Å; Y514-L576 HydrophobicContact CE2-CD2 4.03Å; Y514-L576 VanDerWaalsContact CZ-CD2 3.48Å; R572-L576 HydrophobicContact CG-CD1 3.89Å; R572-L576 HydrophobicContact CG-CG 4.42Å; R572-L576 WeakPolarHBondContact O-CB 3.32Å; R572-L576 VanDerWaalsContact O-CG 3.29Å; R572-L576 WeakPolarHBondContact O-CG 3.38Å; R572-L576 PolarHBondContact O-N 2.91Å; L574-L576 PolarHBondContact O-N 2.9Å; L576-T579 PolarHBondContact O-N 2.71Å; L576-A580 WeakPolarHBondContact O-CB 3.31Å; L576-A580 PolarHBondContact O-N 3.35Å; L576-G676 WeakPolarHBondContact CD1-O 3.45Å
577	Y	97.7	Very high	96.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-49.2	179.2	-178	-99.9	0	0	0	112.5	N573 L574 T579 A580 V581 F626 A668 L671 L672 H677 V679	N573-Y577 VanDerWaalsContact O-CB 3.24Å; N573-Y577 WeakPolarHBondContact O-CB 3.41Å; N573-Y577 PolarHBondContact O-N 3Å; L574-Y577 PolarHBondContact O-N 3.25Å; Y577-T579 PolarHBondContact O-N 3.03Å; Y577-A580 PolarHBondContact O-N 3Å; Y577-V581 HydrophobicContact CD1-CG2 4.01Å; Y577-V581 HydrophobicContact CE1-CG2 3.48Å; Y577-V581 VanDerWaalsContact CE1-CG2 3.48Å; Y577-V581 HydrophobicContact CE2-CG2 4.11Å; Y577-V581 WeakPolarHBondContact O-CG2 3.44Å; Y577-V581 PolarHBondContact O-N 3.26Å; Y577-F626 HydrophobicContact CD1-CE2 4.02Å; Y577-F626 HydrophobicContact CD1-CZ 4.29Å; Y577-F626 HydrophobicContact CE1-CE1 4.33Å; Y577-F626 AromaticContact CE1-CE2 3.44Å; Y577-F626 HydrophobicContact CE1-CE2 3.44Å; Y577-F626 VanDerWaalsContact CE1-CE2 3.44Å; Y577-F626 AromaticContact CE1-CZ 3.32Å; Y577-F626 HydrophobicContact CE1-CZ 3.32Å; Y577-F626 AromaticContact CZ-CZ 3.52Å; Y577-F626 WeakPolarHBondContact OH-CZ 3.45Å; Y577-A668 PolarHBondContact OH-O 2.86Å; Y577-L671 HydrophobicContact CD2-CB 4.18Å; Y577-L671 HydrophobicContact CE2-CB 3.65Å; Y577-L672 HydrophobicContact CD2-CD2 3.64Å; Y577-L672 HydrophobicContact CD2-CG 4.16Å; Y577-L672 HydrophobicContact CE2-CB 4.45Å; Y577-L672 HydrophobicContact CE2-CD2 3.45Å; Y577-L672 VanDerWaalsContact CE2-CD2 3.45Å; Y577-L672 HydrophobicContact CE2-CG 3.55Å; Y577-L672 HydrophobicContact CG-CD2 4.3Å; Y577-H677 HydrophobicContact CD2-CB 4.4Å; Y577-H677 WeakPolarHBondContact CD2-O 3.46Å; Y577-V679 VanDerWaalsContact CB-CG2 3.41Å; Y577-V679 HydrophobicContact CD1-CG2 3.63Å; Y577-V679 HydrophobicContact CD2-CG2 4.21Å; Y577-V679 HydrophobicContact CE1-CG2 4.49Å; Y577-V679 HydrophobicContact CG-CG2 3.46Å; Y577-V679 VanDerWaalsContact CG-CG2 3.46Å
578	M	97.4	Very high	96.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-38.2	-178.4	-71.9	-49.4	-50.5	0	0	112.3	L550 T551 F554 L574 V581 E582 A629	L550-M578 HydrophobicContact CD1-CE 4.35Å; L550-M578 HydrophobicContact CD2-CE 4.13Å; L550-M578 HydrophobicContact CG-CE 3.87Å; T551-M578 HydrophobicContact CG2-CB 3.85Å; T551-M578 PolarHBondContact OG1-O 2.87Å; F554-M578 HydrophobicContact CB-CE 4.12Å; F554-M578 HydrophobicContact CD1-CE 4.39Å; F554-M578 HydrophobicContact CD1-CG 3.81Å; F554-M578 HydrophobicContact CD1-SD 3.86Å; F554-M578 HydrophobicContact CD2-CE 4.39Å; F554-M578 HydrophobicContact CD2-SD 4.46Å; F554-M578 HydrophobicContact CE1-CG 4.3Å; F554-M578 HydrophobicContact CE1-SD 4.1Å; F554-M578 HydrophobicContact CG-CE 4.03Å; F554-M578 HydrophobicContact CG-CG 4.37Å; F554-M578 HydrophobicContact CG-SD 4.06Å; F554-M578 HydrophobicContact CZ-SD 4.48Å; L574-M578 HydrophobicContact CD1-CG 3.83Å; L574-M578 HydrophobicContact CG-CG 4.21Å; L574-M578 WeakPolarHBondContact O-CB 3.41Å; L574-M578 WeakPolarHBondContact O-CG 3.37Å; L574-M578 PolarHBondContact O-N 2.98Å; M578-V581 HydrophobicContact CE-CG1 4.41Å; M578-V581 PolarHBondContact O-N 3Å; M578-E582 VanDerWaalsContact O-CB 3.26Å; M578-E582 WeakPolarHBondContact O-CB 3.47Å; M578-E582 PolarHBondContact O-N 3.21Å; M578-A629 HydrophobicContact CE-CB 3.88Å
579	T	95.7	Very high	96.3	Very high	32 Å²	32	41.6 Å²	41.6	20%	0.196	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-45.6	172.5	-53	0	0	0	0	110.6	L575 L576 Y577 V581 E582 E583	L575-T579 VanDerWaalsContact O-CB 3.32Å; L575-T579 WeakPolarHBondContact O-CB 3.47Å; L575-T579 PolarHBondContact O-N 3.29Å; L575-T579 PolarHBondContact O-OG1 3.16Å; L576-T579 PolarHBondContact O-N 2.71Å; Y577-T579 PolarHBondContact O-N 3.03Å; T579-V581 PolarHBondContact O-N 3.41Å; T579-E582 PolarHBondContact O-N 2.83Å; T579-E583 WeakPolarHBondContact O-CB 3.47Å; T579-E583 WeakPolarHBondContact O-CG 3.49Å; T579-E583 PolarHBondContact O-N 3.48Å
580	A	96.9	Very high	96.5	Very high	11 Å²	11	41.8 Å²	41.8	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-67.3	-31.2	178.5	0	0	0	0	0	113.6	L576 Y577 K584 L671	L576-A580 WeakPolarHBondContact O-CB 3.31Å; L576-A580 PolarHBondContact O-N 3.35Å; Y577-A580 PolarHBondContact O-N 3Å; A580-K584 VanDerWaalsContact O-CG 3.28Å; A580-K584 WeakPolarHBondContact O-CG 3.46Å; A580-K584 PolarHBondContact O-N 2.99Å; A580-L671 HydrophobicContact CB-CD2 4.38Å
581	V	98	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.6	-46.5	170	164.2	0	0	0	0	110.2	L550 Y577 M578 T579 E583 K584 Y585 I630 V633 L671	L550-V581 HydrophobicContact CD2-CG1 4.09Å; Y577-V581 HydrophobicContact CD1-CG2 4.01Å; Y577-V581 HydrophobicContact CE1-CG2 3.48Å; Y577-V581 VanDerWaalsContact CE1-CG2 3.48Å; Y577-V581 HydrophobicContact CE2-CG2 4.11Å; Y577-V581 WeakPolarHBondContact O-CG2 3.44Å; Y577-V581 PolarHBondContact O-N 3.26Å; M578-V581 HydrophobicContact CE-CG1 4.41Å; M578-V581 PolarHBondContact O-N 3Å; T579-V581 PolarHBondContact O-N 3.41Å; V581-E583 PolarHBondContact O-N 3.44Å; V581-K584 WeakPolarHBondContact O-CA 3.38Å; V581-K584 WeakPolarHBondContact O-CB 3.37Å; V581-K584 PolarHBondContact O-N 2.98Å; V581-Y585 HydrophobicContact CG1-CD2 4.4Å; V581-Y585 HydrophobicContact CG1-CE2 3.85Å; V581-Y585 WeakPolarHBondContact O-CD2 3.44Å; V581-Y585 PolarHBondContact O-N 3.42Å; V581-I630 HydrophobicContact CG1-CG2 4.25Å; V581-I630 HydrophobicContact CG2-CG2 4.3Å; V581-V633 HydrophobicContact CG1-CG2 4.08Å; V581-V633 WeakPolarHBondContact O-CG2 3.34Å; V581-L671 HydrophobicContact CB-CD1 4.37Å; V581-L671 HydrophobicContact CG2-CD1 3.64Å
582	E	97.1	Very high	96.9	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-64.9	-37.3	-178.8	-172.3	159.7	-146.6	0	0	112.7	N548 P549 L550 T551 M578 T579 K584 Y585 R593	N548-E582 VanDerWaalsContact CA-CD 3.48Å; N548-E582 VanDerWaalsContact CA-OE1 3.24Å; N548-E582 WeakPolarHBondContact CA-OE1 3.29Å; N548-E582 VanDerWaalsContact CA-OE2 3.26Å; N548-E582 WeakPolarHBondContact CA-OE2 3.37Å; N548-E582 WeakPolarHBondContact CB-OE2 3.42Å; N548-E582 PolarHBondContact ND2-OE2 3.42Å; P549-E582 WeakPolarHBondContact CD-OE1 3.47Å; P549-E582 VanDerWaalsContact N-OE1 3.08Å; L550-E582 HydrophobicContact CB-CG 4.25Å; L550-E582 WeakPolarHBondContact CB-OE1 3.34Å; L550-E582 HydrophobicContact CD2-CB 4.46Å; L550-E582 PolarHBondContact N-OE1 3.29Å; T551-E582 VanDerWaalsContact CB-OE2 3.24Å; T551-E582 WeakPolarHBondContact CB-OE2 3.24Å; T551-E582 PolarHBondContact N-OE2 3.4Å; T551-E582 PolarHBondContact OG1-OE2 3.25Å; M578-E582 VanDerWaalsContact O-CB 3.26Å; M578-E582 WeakPolarHBondContact O-CB 3.47Å; M578-E582 PolarHBondContact O-N 3.21Å; T579-E582 PolarHBondContact O-N 2.83Å; E582-K584 PolarHBondContact O-N 3.45Å; E582-Y585 PolarHBondContact O-N 3.47Å; E582-R593 HydrophobicContact CG-CB 3.86Å; E582-R593 VanDerWaalsContact CG-CD 3.47Å; E582-R593 HydrophobicContact CG-CG 4.26Å
583	E	96.4	Very high	97	Very high	150 Å²	150	35.2 Å²	35.2	70%	0.701	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.4	170	-74.9	178.7	-176.6	0	0	113.9	T579 V581	T579-E583 WeakPolarHBondContact O-CB 3.47Å; T579-E583 WeakPolarHBondContact O-CG 3.49Å; T579-E583 PolarHBondContact O-N 3.48Å; V581-E583 PolarHBondContact O-N 3.44Å
584	K	97.7	Very high	97.2	Very high	107 Å²	107	34.8 Å²	34.8	47%	0.465	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-5.9	175.5	-69.2	-64.4	178	-164.3	0	113.9	A580 V581 E582 N586 V633 G634 I667 L671	A580-K584 VanDerWaalsContact O-CG 3.28Å; A580-K584 WeakPolarHBondContact O-CG 3.46Å; A580-K584 PolarHBondContact O-N 2.99Å; V581-K584 WeakPolarHBondContact O-CA 3.38Å; V581-K584 WeakPolarHBondContact O-CB 3.37Å; V581-K584 PolarHBondContact O-N 2.98Å; E582-K584 PolarHBondContact O-N 3.45Å; K584-N586 PolarHBondContact O-N 3.04Å; K584-V633 HydrophobicContact CB-CG2 3.53Å; K584-G634 VanDerWaalsContact O-CA 3.24Å; K584-G634 WeakPolarHBondContact O-CA 3.33Å; K584-G634 PolarHBondContact O-N 3.31Å; K584-I667 HydrophobicContact CB-CG2 4.24Å; K584-I667 HydrophobicContact CG-CG2 4.24Å; K584-L671 HydrophobicContact CG-CD1 4.26Å; K584-L671 HydrophobicContact CG-CD2 4.48Å
585	Y	98.3	Very high	97.3	Very high	9 Å²	9	34.7 Å²	34.7	4%	0.035	17%	0.172	C	C	.	.	S	Bend	trans	-76.5	121.1	164.8	-80.1	-86.8	0	0	0	110	L550 V581 E582 R593 A596 A629 D632 V633	L550-Y585 HydrophobicContact CD2-CD2 3.97Å; L550-Y585 HydrophobicContact CD2-CE2 3.53Å; V581-Y585 HydrophobicContact CG1-CD2 4.4Å; V581-Y585 HydrophobicContact CG1-CE2 3.85Å; V581-Y585 WeakPolarHBondContact O-CD2 3.44Å; V581-Y585 PolarHBondContact O-N 3.42Å; E582-Y585 PolarHBondContact O-N 3.47Å; Y585-R593 HydrophobicContact CD2-CB 4.33Å; Y585-R593 HydrophobicContact CG-CB 4.17Å; Y585-A596 HydrophobicContact CE1-CB 3.77Å; Y585-A596 HydrophobicContact CE2-CB 4.04Å; Y585-A596 VanDerWaalsContact CZ-CB 3.44Å; Y585-A596 VanDerWaalsContact OH-CB 3.3Å; Y585-A596 WeakPolarHBondContact OH-CB 3.48Å; Y585-A629 WeakPolarHBondContact CE2-O 3.5Å; Y585-A629 PolarHBondContact OH-O 3.02Å; Y585-D632 VanDerWaalsContact CE1-C 3.46Å; Y585-D632 HydrophobicContact CE1-CB 3.61Å; Y585-D632 WeakPolarHBondContact CE1-O 3.25Å; Y585-V633 HydrophobicContact CD2-CB 4.43Å; Y585-V633 HydrophobicContact CD2-CG2 4.09Å; Y585-V633 HydrophobicContact CE2-CB 3.88Å; Y585-V633 HydrophobicContact CE2-CG2 3.95Å
586	N	96.8	Very high	97.5	Very high	75 Å²	75	34.1 Å²	34.1	40%	0.401	17%	0.169	S	C	.	.			trans	-65.9	152.3	172.6	-66.2	-45.3	0	0	0	110.1	K584 N588 N592 H635	K584-N586 PolarHBondContact O-N 3.04Å; N586-N588 PolarHBondContact O-N 2.8Å; N586-N592 WeakPolarHBondContact O-CB 3.42Å; N586-H635 PolarHBondContact ND2-O 3.46Å
587	N	95.9	Very high	97.7	Very high	134 Å²	134	33.2 Å²	33.2	72%	0.717	16%	0.164	S	C	*	.			trans	-78.2	50.7	175.5	-67.8	-41.4	0	0	0	111.3	R593	N587-R593 PolarHBondContact OD1-NH2 3.43Å
588	N	97.6	Very high	97.7	Very high	25 Å²	25	33.3 Å²	33.3	13%	0.134	17%	0.165	C	C	.	.			trans	-68.9	158.5	173.1	-52.5	-39	0	0	0	110.1	N586 Y590 H591 N592 H635 E770	N586-N588 PolarHBondContact O-N 2.8Å; N588-Y590 PolarHBondContact O-N 2.84Å; N588-H591 PolarHBondContact ND2-O 3.07Å; N588-N592 PolarHBondContact O-ND2 3.41Å; N588-H635 PolarHBondContact ND2-O 2.76Å; N588-E770 VanDerWaalsContact CB-OE2 3.26Å; N588-E770 WeakPolarHBondContact CB-OE2 3.41Å
589	P	98.1	Very high	97.8	Very high	22 Å²	22	33.3 Å²	33.3	14%	0.143	17%	0.165	C	C	.	.	S	Bend	trans	-59.7	-41.2	178	-23.8	34.1	0	0	0	114	N592 R766 E769 E770	P589-N592 PolarHBondContact O-ND2 2.96Å; P589-R766 WeakPolarHBondContact CB-O 3.3Å; P589-R766 WeakPolarHBondContact O-CB 3.42Å; P589-R766 WeakPolarHBondContact O-CD 3.42Å; P589-R766 VanDerWaalsContact O-CG 3.28Å; P589-R766 WeakPolarHBondContact O-CG 3.4Å; P589-R766 PolarHBondContact O-NH1 3.4Å; P589-E769 HydrophobicContact CB-CB 4.24Å; P589-E769 HydrophobicContact CB-CG 4.18Å; P589-E769 HydrophobicContact CG-CB 4.45Å; P589-E769 HydrophobicContact CG-CG 3.97Å; P589-E770 HydrophobicContact CB-CB 4.09Å; P589-E770 HydrophobicContact CG-CB 4.04Å
590	Y	98.6	Very high	97.9	Very high	13 Å²	13	31.8 Å²	31.8	5%	0.051	16%	0.155	C	C	.	.	S	Bend	trans	-114.5	-65.2	-176.3	179.9	-89.5	0	0	0	113.2	N588 N592 H595 N752 W763 R766 V767 E770	N588-Y590 PolarHBondContact O-N 2.84Å; Y590-N592 VanDerWaalsContact C-N 3.27Å; Y590-N592 VanDerWaalsContact O-CG 3.32Å; Y590-N592 PolarHBondContact O-N 2.88Å; Y590-N592 PolarHBondContact O-ND2 3.45Å; Y590-H595 AromaticContact CE1-CD2 3.76Å; Y590-H595 AromaticContact CE1-CE1 3.93Å; Y590-H595 AromaticContact CE1-NE2 3.69Å; Y590-H595 AromaticContact CZ-CE1 3.66Å; Y590-H595 AromaticContact CZ-ND1 3.74Å; Y590-H595 AromaticContact CZ-NE2 3.91Å; Y590-H595 VanDerWaalsContact O-CB 3.26Å; Y590-H595 WeakPolarHBondContact O-CB 3.39Å; Y590-H595 PolarHBondContact OH-CE1 3.47Å; Y590-H595 PolarHBondContact OH-ND1 3.2Å; Y590-N752 WeakPolarHBondContact CE2-ND2 3.36Å; Y590-N752 PolarHBondContact OH-ND2 3.42Å; Y590-W763 AromaticContact CD2-CE3 3.7Å; Y590-W763 HydrophobicContact CD2-CE3 3.7Å; Y590-W763 HydrophobicContact CD2-CZ3 4.17Å; Y590-W763 HydrophobicContact CE2-CD2 4.38Å; Y590-W763 AromaticContact CE2-CE3 3.73Å; Y590-W763 HydrophobicContact CE2-CE3 3.73Å; Y590-W763 HydrophobicContact CE2-CZ3 4.33Å; Y590-R766 HydrophobicContact CD2-CB 4.3Å; Y590-V767 HydrophobicContact CD1-CG2 4.45Å; Y590-V767 HydrophobicContact CD2-CB 3.67Å; Y590-V767 HydrophobicContact CD2-CG2 4.27Å; Y590-V767 HydrophobicContact CE2-CB 4.18Å; Y590-V767 HydrophobicContact CG-CB 3.96Å; Y590-V767 HydrophobicContact CG-CG2 4.21Å; Y590-E770 WeakPolarHBondContact CA-OE2 3.13Å; Y590-E770 WeakPolarHBondContact CB-OE2 3.39Å; Y590-E770 PolarHBondContact N-OE2 3.12Å
591	H	98.7	Very high	98	Very high	45 Å²	45	31.2 Å²	31.2	21%	0.208	15%	0.151	C	C	.	.	S	Bend	trans	-76.6	78.3	-173.7	-58.4	101.3	0	0	0	110.3	N588 D632 H635 E770	N588-H591 PolarHBondContact ND2-O 3.07Å; H591-D632 IonicContact CD2-OD2 3.95Å; H591-D632 PolarHBondContact CD2-OD2 2.98Å; H591-D632 IonicContact CG-OD2 2.64Å; H591-H635 HydrophobicContact CB-CB 3.89Å; H591-H635 VanDerWaalsContact CB-ND1 3.31Å; H591-H635 WeakPolarHBondContact CB-ND1 3.5Å; H591-H635 AromaticContact CE1-CE1 3.81Å; H591-H635 AromaticContact CG-CE1 3.61Å; H591-H635 AromaticContact CG-CG 3.95Å; H591-H635 AromaticContact CG-ND1 3.54Å; H591-H635 AromaticContact ND1-CE1 3.24Å; H591-H635 PolarHBondContact ND1-CE1 3.08Å; H591-H635 AromaticContact ND1-ND1 3.54Å; H591-H635 AromaticContact ND1-NE2 3.91Å; H591-E770 IonicContact CE1-OE1 2.71Å; H591-E770 IonicContact CG-OE1 2.98Å; H591-E770 PolarHBondContact N-OE2 2.87Å; H591-E770 IonicContact ND1-OE1 3.01Å; H591-E770 PolarHBondContact ND1-OE1 3.06Å; H591-E770 IonicContact ND1-OE2 2.77Å
592	N	98.3	Very high	98	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.048	15%	0.151	C	C	.	.	S	Bend	trans	-140.4	179.7	-174.1	66.2	46.9	0	0	0	110.8	N586 N588 P589 Y590 V594 H595 A596	N586-N592 WeakPolarHBondContact O-CB 3.42Å; N588-N592 PolarHBondContact O-ND2 3.41Å; P589-N592 PolarHBondContact O-ND2 2.96Å; Y590-N592 VanDerWaalsContact C-N 3.27Å; Y590-N592 VanDerWaalsContact O-CG 3.32Å; Y590-N592 PolarHBondContact O-N 2.88Å; Y590-N592 PolarHBondContact O-ND2 3.45Å; N592-V594 PolarHBondContact O-N 3.01Å; N592-V594 VanDerWaalsContact O-N 3.14Å; N592-V594 WeakPolarHBondContact OD1-CA 3.24Å; N592-V594 VanDerWaalsContact OD1-CB 3.25Å; N592-V594 WeakPolarHBondContact OD1-CB 3.16Å; N592-V594 WeakPolarHBondContact OD1-CG2 3.45Å; N592-V594 PolarHBondContact OD1-N 2.92Å; N592-H595 PolarHBondContact O-N 2.81Å; N592-H595 VanDerWaalsContact O-N 3.08Å; N592-H595 PolarHBondContact OD1-N 2.78Å; N592-A596 PolarHBondContact O-N 3.42Å; N592-A596 VanDerWaalsContact O-N 3.12Å
593	R	97.8	Very high	98.1	Very high	57 Å²	57	31 Å²	31	22%	0.215	15%	0.15	C	C	.	.	H	α-helix	trans	-57.1	-26.8	-179.4	57	-169.9	148.2	76.1	14.1	115.1	D543 P549 L550 E582 Y585 N587 A597	D543-R593 IonicContact OD1-NH1 3.85Å; D543-R593 PolarHBondContact OD1-NH1 2.97Å; P549-R593 HydrophobicContact CG-CG 4.28Å; L550-R593 HydrophobicContact CB-CB 4.28Å; E582-R593 HydrophobicContact CG-CB 3.86Å; E582-R593 VanDerWaalsContact CG-CD 3.47Å; E582-R593 HydrophobicContact CG-CG 4.26Å; Y585-R593 HydrophobicContact CD2-CB 4.33Å; Y585-R593 HydrophobicContact CG-CB 4.17Å; N587-R593 PolarHBondContact OD1-NH2 3.43Å; R593-A597 WeakPolarHBondContact O-CB 3.48Å; R593-A597 PolarHBondContact O-N 2.92Å
594	V	98.3	Very high	98.2	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.024	12%	0.118	C	C	.	.	H	α-helix	trans	-72.8	-40.9	176.9	-167.9	0	0	0	0	110.6	I539 F540 D543 P549 N592 A597 D598 W763	I539-V594 HydrophobicContact CG1-CG1 4.11Å; I539-V594 HydrophobicContact CG2-CG1 4.17Å; F540-V594 HydrophobicContact CD1-CG1 4.05Å; F540-V594 HydrophobicContact CE1-CG1 4.26Å; D543-V594 HydrophobicContact CB-CG1 4.16Å; D543-V594 HydrophobicContact CB-CG2 3.78Å; D543-V594 WeakPolarHBondContact OD1-CG2 3.39Å; P549-V594 HydrophobicContact CG-CG2 4.3Å; N592-V594 PolarHBondContact O-N 3.01Å; N592-V594 VanDerWaalsContact O-N 3.14Å; N592-V594 WeakPolarHBondContact OD1-CA 3.24Å; N592-V594 VanDerWaalsContact OD1-CB 3.25Å; N592-V594 WeakPolarHBondContact OD1-CB 3.16Å; N592-V594 WeakPolarHBondContact OD1-CG2 3.45Å; N592-V594 PolarHBondContact OD1-N 2.92Å; V594-A597 PolarHBondContact O-N 3.24Å; V594-D598 PolarHBondContact O-N 2.84Å; V594-W763 HydrophobicContact CB-CH2 4.24Å; V594-W763 HydrophobicContact CG1-CH2 4.02Å; V594-W763 HydrophobicContact CG1-CZ2 4.45Å
595	H	98.7	Very high	98.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.6	-47.3	175.2	174	50.6	0	0	0	110.7	Y590 N592 A597 D598 V599 H631 D632 D749 W763	Y590-H595 AromaticContact CE1-CD2 3.76Å; Y590-H595 AromaticContact CE1-CE1 3.93Å; Y590-H595 AromaticContact CE1-NE2 3.69Å; Y590-H595 AromaticContact CZ-CE1 3.66Å; Y590-H595 AromaticContact CZ-ND1 3.74Å; Y590-H595 AromaticContact CZ-NE2 3.91Å; Y590-H595 VanDerWaalsContact O-CB 3.26Å; Y590-H595 WeakPolarHBondContact O-CB 3.39Å; Y590-H595 PolarHBondContact OH-CE1 3.47Å; Y590-H595 PolarHBondContact OH-ND1 3.2Å; N592-H595 PolarHBondContact O-N 2.81Å; N592-H595 VanDerWaalsContact O-N 3.08Å; N592-H595 PolarHBondContact OD1-N 2.78Å; H595-A597 VanDerWaalsContact C-N 3.26Å; H595-A597 PolarHBondContact O-N 3.15Å; H595-D598 WeakPolarHBondContact O-CA 3.47Å; H595-D598 WeakPolarHBondContact O-CB 3.43Å; H595-D598 PolarHBondContact O-N 3.43Å; H595-V599 VanDerWaalsContact CE1-CG2 3.44Å; H595-V599 WeakPolarHBondContact CE1-CG2 3.14Å; H595-V599 WeakPolarHBondContact O-CG2 3.11Å; H595-V599 PolarHBondContact O-N 3.49Å; H595-H631 AromaticContact NE2-NE2 3.64Å; H595-D632 IonicContact CD2-OD2 3.71Å; H595-D632 PolarHBondContact CD2-OD2 3.28Å; H595-D632 VanDerWaalsContact CD2-OD2 3.23Å; H595-D632 IonicContact NE2-OD2 2.94Å; H595-D749 IonicContact CE1-OD1 3.63Å; H595-D749 IonicContact NE2-OD1 2.73Å; H595-W763 HydrophobicContact CB-CH2 3.88Å; H595-W763 HydrophobicContact CB-CZ3 4Å
596	A	98.7	Very high	98.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-56.5	-38.8	173.8	0	0	0	0	0	112.9	L550 Y585 N592 V599 V600	L550-A596 HydrophobicContact CD1-CB 4Å; L550-A596 HydrophobicContact CD2-CB 4.09Å; Y585-A596 HydrophobicContact CE1-CB 3.77Å; Y585-A596 HydrophobicContact CE2-CB 4.04Å; Y585-A596 VanDerWaalsContact CZ-CB 3.44Å; Y585-A596 VanDerWaalsContact OH-CB 3.3Å; Y585-A596 WeakPolarHBondContact OH-CB 3.48Å; N592-A596 PolarHBondContact O-N 3.42Å; N592-A596 VanDerWaalsContact O-N 3.12Å; A596-V599 PolarHBondContact O-N 2.96Å; A596-V600 VanDerWaalsContact O-CG2 3.25Å; A596-V600 WeakPolarHBondContact O-CG2 3.3Å; A596-V600 PolarHBondContact O-N 3.42Å
597	A	98.5	Very high	98.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.6	-39.2	175.3	0	0	0	0	0	112.3	I539 P549 L550 I553 R593 V594 H595 V600 Q601	I539-A597 HydrophobicContact CD1-CB 3.83Å; I539-A597 HydrophobicContact CG1-CB 4.17Å; P549-A597 HydrophobicContact CB-CB 4.43Å; L550-A597 HydrophobicContact CB-CB 4.29Å; L550-A597 HydrophobicContact CD1-CB 4.4Å; I553-A597 HydrophobicContact CB-CB 4.43Å; I553-A597 HydrophobicContact CG1-CB 4.37Å; R593-A597 WeakPolarHBondContact O-CB 3.48Å; R593-A597 PolarHBondContact O-N 2.92Å; V594-A597 PolarHBondContact O-N 3.24Å; H595-A597 VanDerWaalsContact C-N 3.26Å; H595-A597 PolarHBondContact O-N 3.15Å; A597-V600 PolarHBondContact O-N 3.08Å; A597-Q601 PolarHBondContact O-N 2.88Å
598	D	98.7	Very high	98.1	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.011	7%	0.072	C	C	.	.	H	α-helix	trans	-65.7	-41.5	175.4	-165	22.4	0	0	0	112	I539 V594 H595 Q601 S602 K755 W763	I539-D598 HydrophobicContact CB-CB 4.47Å; I539-D598 HydrophobicContact CG1-CB 4.12Å; I539-D598 HydrophobicContact CG2-CB 4.12Å; V594-D598 PolarHBondContact O-N 2.84Å; H595-D598 WeakPolarHBondContact O-CA 3.47Å; H595-D598 WeakPolarHBondContact O-CB 3.43Å; H595-D598 PolarHBondContact O-N 3.43Å; D598-Q601 PolarHBondContact O-N 3.25Å; D598-S602 WeakPolarHBondContact O-CB 3.29Å; D598-S602 PolarHBondContact O-N 2.91Å; D598-S602 PolarHBondContact O-OG 3.23Å; D598-K755 IonicContact OD1-NZ 2.8Å; D598-K755 PolarHBondContact OD1-NZ 3.26Å; D598-K755 IonicContact OD2-NZ 2.88Å; D598-K755 PolarHBondContact OD2-NZ 3.09Å; D598-W763 HydrophobicContact CB-CZ2 3.88Å; D598-W763 PolarHBondContact OD2-NE1 3.17Å
599	V	98.8	Very high	97.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.4	-40.1	176.9	180	0	0	0	0	111.5	H595 A596 T603 C628 A748 D749	H595-V599 VanDerWaalsContact CE1-CG2 3.44Å; H595-V599 WeakPolarHBondContact CE1-CG2 3.14Å; H595-V599 WeakPolarHBondContact O-CG2 3.11Å; H595-V599 PolarHBondContact O-N 3.49Å; A596-V599 PolarHBondContact O-N 2.96Å; V599-T603 VanDerWaalsContact O-CB 3.3Å; V599-T603 WeakPolarHBondContact O-CB 3.38Å; V599-T603 PolarHBondContact O-N 3.08Å; V599-T603 PolarHBondContact O-OG1 2.94Å; V599-C628 HydrophobicContact CG1-CB 3.98Å; V599-A748 HydrophobicContact CG1-CB 3.92Å; V599-D749 HydrophobicContact CG2-CB 4.5Å
600	V	98.8	Very high	97.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.6	-46.3	173.2	170.8	0	0	0	0	111.4	L550 I553 F554 I557 A596 A597 H604 L625 C628 A629	L550-V600 HydrophobicContact CD1-CG2 4.13Å; I553-V600 HydrophobicContact CG2-CB 4.41Å; I553-V600 HydrophobicContact CG2-CG1 4.05Å; F554-V600 HydrophobicContact CD2-CG1 4.1Å; F554-V600 HydrophobicContact CD2-CG2 4.44Å; I557-V600 HydrophobicContact CD1-CG1 3.86Å; A596-V600 VanDerWaalsContact O-CG2 3.25Å; A596-V600 WeakPolarHBondContact O-CG2 3.3Å; A596-V600 PolarHBondContact O-N 3.42Å; A597-V600 PolarHBondContact O-N 3.08Å; V600-H604 PolarHBondContact O-N 3.49Å; V600-L625 HydrophobicContact CG1-CD2 4.35Å; V600-C628 HydrophobicContact CB-CB 4.39Å; V600-C628 HydrophobicContact CG2-CB 3.65Å; V600-A629 VanDerWaalsContact CG2-CA 3.5Å; V600-A629 HydrophobicContact CG2-CB 3.72Å; V600-A629 VanDerWaalsContact CG2-N 3.35Å
601	Q	98.5	Very high	96.9	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-70.5	-41.7	179.9	-169	-87.6	-12.1	0	0	112.2	L532 L534 I537 I553 I557 A597 D598 T603 H604 V605	L532-Q601 HydrophobicContact CD1-CG 4.16Å; L532-Q601 PolarHBondContact O-NE2 3.49Å; L534-Q601 PolarHBondContact O-NE2 3.4Å; I537-Q601 HydrophobicContact CG2-CB 4.47Å; I537-Q601 HydrophobicContact CG2-CG 3.82Å; I553-Q601 HydrophobicContact CG2-CB 3.98Å; I557-Q601 HydrophobicContact CD1-CB 4.48Å; A597-Q601 PolarHBondContact O-N 2.88Å; D598-Q601 PolarHBondContact O-N 3.25Å; Q601-T603 VanDerWaalsContact C-N 3.32Å; Q601-T603 PolarHBondContact O-N 2.82Å; Q601-H604 WeakPolarHBondContact O-CA 3.47Å; Q601-H604 WeakPolarHBondContact O-CB 3.48Å; Q601-H604 PolarHBondContact O-N 3.03Å; Q601-H604 VanDerWaalsContact O-N 3.07Å; Q601-V605 VanDerWaalsContact NE2-CG2 3.35Å; Q601-V605 WeakPolarHBondContact O-CG2 3.45Å; Q601-V605 PolarHBondContact O-N 3.32Å
602	S	98.7	Very high	96.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58	-46.8	176	-61.3	0	0	0	0	110.5	D598 H604 V605 L606 K755	D598-S602 WeakPolarHBondContact O-CB 3.29Å; D598-S602 PolarHBondContact O-N 2.91Å; D598-S602 PolarHBondContact O-OG 3.23Å; S602-H604 VanDerWaalsContact C-N 3.34Å; S602-H604 PolarHBondContact O-N 3.23Å; S602-V605 PolarHBondContact O-N 2.96Å; S602-V605 VanDerWaalsContact O-N 3.13Å; S602-L606 WeakPolarHBondContact O-CG 3.47Å; S602-L606 PolarHBondContact O-N 3.26Å; S602-K755 WeakPolarHBondContact OG-CE 3.41Å; S602-K755 PolarHBondContact OG-NZ 3Å
603	T	98.7	Very high	95.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-40.4	174	-61.2	0	0	0	0	112.2	V599 Q601 V605 L606 L607 V624 L625 C628 M744 A748	V599-T603 VanDerWaalsContact O-CB 3.3Å; V599-T603 WeakPolarHBondContact O-CB 3.38Å; V599-T603 PolarHBondContact O-N 3.08Å; V599-T603 PolarHBondContact O-OG1 2.94Å; Q601-T603 VanDerWaalsContact C-N 3.32Å; Q601-T603 PolarHBondContact O-N 2.82Å; T603-V605 VanDerWaalsContact C-N 3.3Å; T603-V605 PolarHBondContact O-N 3.44Å; T603-L606 PolarHBondContact O-N 2.82Å; T603-L607 HydrophobicContact CG2-CD1 4.21Å; T603-L607 HydrophobicContact CG2-CG 4.5Å; T603-L607 WeakPolarHBondContact O-CB 3.33Å; T603-L607 WeakPolarHBondContact O-CG 3.5Å; T603-L607 PolarHBondContact O-N 3.36Å; T603-V624 HydrophobicContact CG2-CG1 4.25Å; T603-V624 HydrophobicContact CG2-CG2 3.92Å; T603-L625 HydrophobicContact CG2-CD2 4.36Å; T603-C628 PolarHBondContact OG1-SG 3.2Å; T603-M744 HydrophobicContact CG2-CG 4.36Å; T603-M744 HydrophobicContact CG2-SD 4.01Å; T603-A748 WeakPolarHBondContact OG1-CB 3.49Å
604	H	98.1	Very high	95.2	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.019	14%	0.143	C	C	.	.	H	α-helix	trans	-60	-37.5	173.7	168.3	85.5	0	0	0	112.7	L532 D533 I557 R561 V600 Q601 S602 N608 L625	L532-H604 PolarHBondContact O-CD2 3.29Å; D533-H604 IonicContact OD1-CD2 3.91Å; D533-H604 IonicContact OD1-CE1 2.7Å; D533-H604 IonicContact OD1-NE2 2.84Å; D533-H604 PolarHBondContact OD1-NE2 3.03Å; I557-H604 HydrophobicContact CD1-CB 3.71Å; I557-H604 HydrophobicContact CG1-CB 4.14Å; I557-H604 HydrophobicContact CG2-CB 4.11Å; I557-H604 WeakPolarHBondContact CG2-ND1 3.44Å; R561-H604 VanDerWaalsContact CZ-ND1 3.33Å; R561-H604 PolarHBondContact NE-ND1 3.07Å; R561-H604 PolarHBondContact NH2-CE1 3.5Å; R561-H604 PolarHBondContact NH2-ND1 2.67Å; R561-H604 PolarHBondContact NH2-O 2.75Å; V600-H604 PolarHBondContact O-N 3.49Å; Q601-H604 WeakPolarHBondContact O-CA 3.47Å; Q601-H604 WeakPolarHBondContact O-CB 3.48Å; Q601-H604 PolarHBondContact O-N 3.03Å; Q601-H604 VanDerWaalsContact O-N 3.07Å; S602-H604 VanDerWaalsContact C-N 3.34Å; S602-H604 PolarHBondContact O-N 3.23Å; H604-N608 PolarHBondContact O-ND2 3.5Å; H604-N608 PolarHBondContact O-OD1 3.18Å; H604-L625 HydrophobicContact CB-CD2 4.18Å
605	V	97.8	Very high	94.8	Very high	21 Å²	21	26.8 Å²	26.8	13%	0.127	15%	0.147	C	C	.	.	H	α-helix	trans	-71	-43.8	175.1	-179.2	0	0	0	0	111	W535 Q601 S602 T603 L607 N608	W535-V605 HydrophobicContact CB-CG1 4.32Å; W535-V605 HydrophobicContact CE3-CB 4.07Å; W535-V605 HydrophobicContact CE3-CG1 4.01Å; Q601-V605 VanDerWaalsContact NE2-CG2 3.35Å; Q601-V605 WeakPolarHBondContact O-CG2 3.45Å; Q601-V605 PolarHBondContact O-N 3.32Å; S602-V605 PolarHBondContact O-N 2.96Å; S602-V605 VanDerWaalsContact O-N 3.13Å; T603-V605 VanDerWaalsContact C-N 3.3Å; T603-V605 PolarHBondContact O-N 3.44Å; V605-L607 VanDerWaalsContact C-N 3.29Å; V605-L607 PolarHBondContact O-N 3.26Å; V605-N608 WeakPolarHBondContact O-CB 3.29Å; V605-N608 PolarHBondContact O-N 2.71Å
606	L	97.5	Very high	94.6	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-34.2	178.5	-67.3	-176.9	0	0	0	113.2	W535 S602 T603 N608 A609 M744 C747 A748 W812 W815 I826	W535-L606 HydrophobicContact CZ3-CD2 4.2Å; W535-L606 HydrophobicContact CZ3-CG 4.18Å; S602-L606 WeakPolarHBondContact O-CG 3.47Å; S602-L606 PolarHBondContact O-N 3.26Å; T603-L606 PolarHBondContact O-N 2.82Å; L606-N608 PolarHBondContact O-N 3.44Å; L606-A609 PolarHBondContact O-N 3.47Å; L606-M744 HydrophobicContact CB-CG 3.9Å; L606-M744 HydrophobicContact CB-SD 4.21Å; L606-M744 HydrophobicContact CD1-CG 3.96Å; L606-C747 HydrophobicContact CD1-CB 4.13Å; L606-A748 HydrophobicContact CD1-CB 4.46Å; L606-W812 HydrophobicContact CD1-CH2 4.18Å; L606-W812 HydrophobicContact CD2-CH2 3.99Å; L606-W812 HydrophobicContact CD2-CZ3 4.05Å; L606-W815 HydrophobicContact CB-CZ2 4.22Å; L606-W815 HydrophobicContact CD1-CZ2 4.31Å; L606-W815 HydrophobicContact CD2-CZ2 4.39Å; L606-I826 HydrophobicContact CD2-CD1 4.2Å
607	L	96.6	Very high	94.4	Very high	17 Å²	17	31 Å²	31	9%	0.089	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.3	172.6	-78	168	0	0	0	114.3	T603 V605 F616 I621 V624 L625 M744	T603-L607 HydrophobicContact CG2-CD1 4.21Å; T603-L607 HydrophobicContact CG2-CG 4.5Å; T603-L607 WeakPolarHBondContact O-CB 3.33Å; T603-L607 WeakPolarHBondContact O-CG 3.5Å; T603-L607 PolarHBondContact O-N 3.36Å; V605-L607 VanDerWaalsContact C-N 3.29Å; V605-L607 PolarHBondContact O-N 3.26Å; L607-F616 HydrophobicContact CD2-CD2 4.02Å; L607-F616 HydrophobicContact CD2-CE2 4.44Å; L607-I621 HydrophobicContact CD1-CG2 4.27Å; L607-I621 HydrophobicContact CD2-CG1 4.35Å; L607-V624 HydrophobicContact CD1-CG1 3.98Å; L607-V624 HydrophobicContact CD2-CG1 4.39Å; L607-L625 HydrophobicContact CD1-CD2 4.29Å; L607-L625 HydrophobicContact CD1-CG 4.3Å; L607-M744 HydrophobicContact CD2-CE 3.92Å; L607-M744 HydrophobicContact CD2-SD 3.73Å; L607-M744 HydrophobicContact CG-CE 4.29Å; L607-M744 HydrophobicContact CG-SD 3.69Å
608	N	94.3	Very high	94.3	Very high	77 Å²	77	34 Å²	34	41%	0.412	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	1	179.5	-60.8	-26.1	0	0	0	113.5	R561 H604 V605 L606 Q610	R561-N608 PolarHBondContact NH2-OD1 3.37Å; H604-N608 PolarHBondContact O-ND2 3.5Å; H604-N608 PolarHBondContact O-OD1 3.18Å; V605-N608 WeakPolarHBondContact O-CB 3.29Å; V605-N608 PolarHBondContact O-N 2.71Å; L606-N608 PolarHBondContact O-N 3.44Å; N608-Q610 PolarHBondContact O-N 3.01Å
609	A	92.9	Very high	94.2	Very high	9 Å²	9	34.3 Å²	34.3	7%	0.074	19%	0.189	C	C	.	.			trans	-60.3	132.2	175.6	0	0	0	0	0	111.2	L606 S611 L612 E613 V819 D822	L606-A609 PolarHBondContact O-N 3.47Å; A609-S611 PolarHBondContact O-N 3.28Å; A609-L612 HydrophobicContact CB-CD1 4.22Å; A609-L612 HydrophobicContact CB-CG 4.3Å; A609-L612 PolarHBondContact O-N 3.24Å; A609-E613 PolarHBondContact O-N 3.48Å; A609-V819 HydrophobicContact CB-CB 4.17Å; A609-V819 HydrophobicContact CB-CG1 4.45Å; A609-D822 WeakPolarHBondContact CA-OD2 3.47Å; A609-D822 HydrophobicContact CB-CB 3.96Å
610	Q	90.1	Very high	94.1	Very high	134 Å²	134	34.6 Å²	34.6	63%	0.626	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-60.7	-34.7	-176.5	-175.3	173.2	36.6	0	0	111.8	N608 L612 E613 D822	N608-Q610 PolarHBondContact O-N 3.01Å; Q610-L612 PolarHBondContact O-N 3.37Å; Q610-L612 VanDerWaalsContact O-N 3.16Å; Q610-E613 VanDerWaalsContact O-CB 3.31Å; Q610-E613 WeakPolarHBondContact O-CB 3.33Å; Q610-E613 PolarHBondContact O-N 3.08Å; Q610-E613 VanDerWaalsContact O-N 3.16Å; Q610-D822 PolarHBondContact N-OD2 3.29Å
611	S	86.3	Confident	94.1	Very high	11 Å²	11	35.7 Å²	35.7	8%	0.077	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-66.3	-14.6	176.5	67	0	0	0	0	114.5	A609 V819	A609-S611 PolarHBondContact O-N 3.28Å; S611-V819 VanDerWaalsContact OG-CA 3.26Å; S611-V819 WeakPolarHBondContact OG-CA 3.18Å; S611-V819 WeakPolarHBondContact OG-CB 3.24Å
612	L	89.5	Confident	94.1	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-107	1.8	179	-57.2	178.9	0	0	0	112.2	A609 Q610 S614 V615 F616 L729 I740 M744 W815 V819	A609-L612 HydrophobicContact CB-CD1 4.22Å; A609-L612 HydrophobicContact CB-CG 4.3Å; A609-L612 PolarHBondContact O-N 3.24Å; Q610-L612 PolarHBondContact O-N 3.37Å; Q610-L612 VanDerWaalsContact O-N 3.16Å; L612-S614 PolarHBondContact O-N 3.13Å; L612-V615 WeakPolarHBondContact O-CB 3.42Å; L612-V615 PolarHBondContact O-N 3.42Å; L612-V615 VanDerWaalsContact O-N 3.11Å; L612-F616 HydrophobicContact CB-CE2 4.3Å; L612-F616 HydrophobicContact CD1-CE2 4.28Å; L612-F616 HydrophobicContact CD2-CE2 4.32Å; L612-L729 HydrophobicContact CD2-CD1 3.86Å; L612-I740 HydrophobicContact CD2-CD1 4.29Å; L612-I740 HydrophobicContact CD2-CG2 4.47Å; L612-M744 HydrophobicContact CD1-CE 3.61Å; L612-W815 HydrophobicContact CD1-CH2 4.21Å; L612-W815 HydrophobicContact CD1-CZ2 4.16Å; L612-V819 HydrophobicContact CD1-CG1 4Å; L612-V819 HydrophobicContact CD2-CG1 4.46Å; L612-V819 HydrophobicContact CG-CG1 4.14Å
613	E	86	Confident	94	Very high	133 Å²	133	35.7 Å²	35.7	62%	0.621	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	128.1	175.7	-172.3	175.7	-169.7	0	0	110.2	A609 Q610 V615	A609-E613 PolarHBondContact O-N 3.48Å; Q610-E613 VanDerWaalsContact O-CB 3.31Å; Q610-E613 WeakPolarHBondContact O-CB 3.33Å; Q610-E613 PolarHBondContact O-N 3.08Å; Q610-E613 VanDerWaalsContact O-N 3.16Å; E613-V615 PolarHBondContact O-N 3.15Å; E613-V615 VanDerWaalsContact O-N 3.11Å
614	S	84.6	Confident	94	Very high	121 Å²	121	35.7 Å²	35.7	85%	0.846	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	4.3	-175.4	72.7	0	0	0	0	117.5	L612	L612-S614 PolarHBondContact O-N 3.13Å
615	V	89	Confident	94.1	Very high	19 Å²	19	35.5 Å²	35.5	12%	0.115	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-37.8	179.2	174.6	0	0	0	0	112.4	L612 E613 L731 R737	L612-V615 WeakPolarHBondContact O-CB 3.42Å; L612-V615 PolarHBondContact O-N 3.42Å; L612-V615 VanDerWaalsContact O-N 3.11Å; E613-V615 PolarHBondContact O-N 3.15Å; E613-V615 VanDerWaalsContact O-N 3.11Å; V615-L731 HydrophobicContact CG1-CB 4.36Å; V615-L731 HydrophobicContact CG1-CD1 3.73Å; V615-L731 HydrophobicContact CG1-CG 4.32Å; V615-R737 WeakPolarHBondContact O-CD 3.25Å
616	F	93.9	Very high	94.1	Very high	19 Å²	19	34.5 Å²	34.5	8%	0.083	19%	0.189	C	C	.	.	S	Bend	trans	-104.4	140	-177.6	-57.7	-64.4	0	0	0	112.3	L607 L612 E620 I621 R737 I740 L741 M744	L607-F616 HydrophobicContact CD2-CD2 4.02Å; L607-F616 HydrophobicContact CD2-CE2 4.44Å; L612-F616 HydrophobicContact CB-CE2 4.3Å; L612-F616 HydrophobicContact CD1-CE2 4.28Å; L612-F616 HydrophobicContact CD2-CE2 4.32Å; F616-E620 HydrophobicContact CB-CB 4.2Å; F616-E620 HydrophobicContact CD1-CB 4.47Å; F616-I621 HydrophobicContact CB-CD1 4.41Å; F616-I621 HydrophobicContact CB-CG1 3.94Å; F616-R737 HydrophobicContact CD1-CB 4.48Å; F616-R737 HydrophobicContact CE1-CB 4.15Å; F616-I740 HydrophobicContact CE2-CG2 4.49Å; F616-I740 HydrophobicContact CZ-CB 4.01Å; F616-I740 HydrophobicContact CZ-CG2 3.74Å; F616-L741 HydrophobicContact CD1-CD1 4.25Å; F616-L741 HydrophobicContact CD1-CD2 3.79Å; F616-L741 HydrophobicContact CD1-CG 4.05Å; F616-L741 HydrophobicContact CD2-CD2 4.46Å; F616-L741 HydrophobicContact CE1-CD1 4.22Å; F616-L741 HydrophobicContact CE1-CD2 3.59Å; F616-L741 HydrophobicContact CE1-CG 3.62Å; F616-L741 HydrophobicContact CE2-CD2 4.28Å; F616-L741 HydrophobicContact CG-CD2 4.23Å; F616-L741 HydrophobicContact CZ-CD2 3.85Å; F616-L741 HydrophobicContact CZ-CG 4.18Å; F616-M744 HydrophobicContact CE2-CE 3.93Å; F616-M744 HydrophobicContact CZ-CE 4.45Å
617	T	94.7	Very high	94.2	Very high	69 Å²	69	34.1 Å²	34.1	42%	0.423	19%	0.187	S	C	.	.			trans	-69.7	156.9	168.7	63.1	0	0	0	0	111.1	L619 E620 I621	T617-L619 PolarHBondContact O-N 3.01Å; T617-L619 VanDerWaalsContact O-N 3.08Å; T617-E620 WeakPolarHBondContact CB-OE2 3.38Å; T617-E620 WeakPolarHBondContact CG2-OE2 3.31Å; T617-E620 PolarHBondContact N-OE2 2.81Å; T617-E620 PolarHBondContact O-N 2.8Å; T617-E620 VanDerWaalsContact O-N 3.11Å; T617-E620 VanDerWaalsContact OG1-CD 3.24Å; T617-E620 WeakPolarHBondContact OG1-CG 3.38Å; T617-E620 PolarHBondContact OG1-N 2.97Å; T617-E620 PolarHBondContact OG1-OE2 2.93Å; T617-I621 WeakPolarHBondContact O-CG1 3.32Å; T617-I621 PolarHBondContact O-N 3.47Å
618	D	96.3	Very high	94.3	Very high	62 Å²	62	33.3 Å²	33.3	33%	0.332	18%	0.183	S	C	.	.	H	α-helix	trans	-55.1	-28.3	172.8	-74.2	-52.2	0	0	0	113.2	L563 K566 F567 F622	L563-D618 HydrophobicContact CD2-CB 4.24Å; K566-D618 HydrophobicContact CD-CB 4.26Å; K566-D618 WeakPolarHBondContact CD-OD2 3.4Å; K566-D618 IonicContact NZ-OD1 2.63Å; K566-D618 PolarHBondContact NZ-OD1 3.33Å; K566-D618 IonicContact NZ-OD2 2.75Å; K566-D618 PolarHBondContact NZ-OD2 2.92Å; F567-D618 HydrophobicContact CE2-CB 3.89Å; F567-D618 WeakPolarHBondContact CE2-O 3.19Å; F567-D618 HydrophobicContact CZ-CB 3.76Å; D618-F622 WeakPolarHBondContact O-CB 3.48Å; D618-F622 PolarHBondContact O-N 2.96Å
619	L	96.8	Very high	94.5	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.052	16%	0.164	C	C	.	.	H	α-helix	trans	-71.7	-47.6	179	-170.8	71.9	0	0	0	110.3	L317 F567 T617 I621 F622 T623 F683 Q687 S691 M694	L317-L619 HydrophobicContact CD1-CD2 4.31Å; F567-L619 HydrophobicContact CD1-CD1 4.47Å; F567-L619 HydrophobicContact CE1-CB 4.37Å; F567-L619 HydrophobicContact CE1-CD1 3.77Å; F567-L619 HydrophobicContact CZ-CB 4.05Å; F567-L619 HydrophobicContact CZ-CD1 4.05Å; T617-L619 PolarHBondContact O-N 3.01Å; T617-L619 VanDerWaalsContact O-N 3.08Å; L619-I621 VanDerWaalsContact C-N 3.35Å; L619-F622 PolarHBondContact O-N 3.13Å; L619-T623 WeakPolarHBondContact O-CB 3.44Å; L619-T623 WeakPolarHBondContact O-CG2 3.17Å; L619-T623 PolarHBondContact O-N 2.81Å; L619-T623 PolarHBondContact O-OG1 3.05Å; L619-F683 HydrophobicContact CD1-CD2 4.15Å; L619-F683 HydrophobicContact CD1-CE2 3.68Å; L619-Q687 HydrophobicContact CD1-CB 4.27Å; L619-Q687 HydrophobicContact CD2-CB 4.22Å; L619-Q687 HydrophobicContact CD2-CG 4.15Å; L619-S691 WeakPolarHBondContact CD1-OG 3.35Å; L619-M694 HydrophobicContact CD2-CE 4.05Å; L619-M694 HydrophobicContact CG-CE 4.01Å
620	E	97.3	Very high	94.8	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.023	16%	0.16	C	C	.	.	H	α-helix	trans	-57.9	-48.1	174.2	-75.1	153.6	155.2	0	0	110.2	F616 T617 F622 T623 V624 M694 R737 L741	F616-E620 HydrophobicContact CB-CB 4.2Å; F616-E620 HydrophobicContact CD1-CB 4.47Å; T617-E620 WeakPolarHBondContact CB-OE2 3.38Å; T617-E620 WeakPolarHBondContact CG2-OE2 3.31Å; T617-E620 PolarHBondContact N-OE2 2.81Å; T617-E620 PolarHBondContact O-N 2.8Å; T617-E620 VanDerWaalsContact O-N 3.11Å; T617-E620 VanDerWaalsContact OG1-CD 3.24Å; T617-E620 WeakPolarHBondContact OG1-CG 3.38Å; T617-E620 PolarHBondContact OG1-N 2.97Å; T617-E620 PolarHBondContact OG1-OE2 2.93Å; E620-F622 PolarHBondContact O-N 2.82Å; E620-T623 WeakPolarHBondContact CA-OG1 3.13Å; E620-T623 PolarHBondContact O-N 3.18Å; E620-T623 VanDerWaalsContact O-N 3.14Å; E620-T623 PolarHBondContact O-OG1 3.23Å; E620-V624 WeakPolarHBondContact O-CG1 3.35Å; E620-V624 PolarHBondContact O-N 2.74Å; E620-M694 HydrophobicContact CG-CE 4.14Å; E620-M694 HydrophobicContact CG-SD 3.62Å; E620-R737 IonicContact OE1-CZ 3.23Å; E620-R737 VanDerWaalsContact OE1-CZ 3.23Å; E620-R737 IonicContact OE1-NE 2.8Å; E620-R737 PolarHBondContact OE1-NE 3.08Å; E620-R737 IonicContact OE1-NH2 2.76Å; E620-R737 PolarHBondContact OE1-NH2 3.4Å; E620-R737 IonicContact OE2-NE 3.46Å; E620-R737 PolarHBondContact OE2-NE 3.33Å; E620-R737 IonicContact OE2-NH2 3.84Å; E620-L741 HydrophobicContact CB-CD1 4.03Å; E620-L741 HydrophobicContact CG-CD1 4.11Å
621	I	97.9	Very high	95.2	Very high	24 Å²	24	22.9 Å²	22.9	12%	0.123	13%	0.13	C	C	.	.	H	α-helix	trans	-56.4	-47.8	176.2	-66.7	170.8	0	0	0	112.1	L563 L607 F616 T617 L619 T623 V624 L625	L563-I621 HydrophobicContact CD1-CG2 4.08Å; L563-I621 HydrophobicContact CD2-CG2 4.44Å; L607-I621 HydrophobicContact CD1-CG2 4.27Å; L607-I621 HydrophobicContact CD2-CG1 4.35Å; F616-I621 HydrophobicContact CB-CD1 4.41Å; F616-I621 HydrophobicContact CB-CG1 3.94Å; T617-I621 WeakPolarHBondContact O-CG1 3.32Å; T617-I621 PolarHBondContact O-N 3.47Å; L619-I621 VanDerWaalsContact C-N 3.35Å; I621-T623 VanDerWaalsContact C-N 3.35Å; I621-V624 WeakPolarHBondContact O-CG1 3.31Å; I621-L625 HydrophobicContact CG2-CD1 4.26Å; I621-L625 WeakPolarHBondContact O-CD1 3.45Å; I621-L625 WeakPolarHBondContact O-CG 3.29Å; I621-L625 PolarHBondContact O-N 3.28Å
622	F	98.2	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.9	-41.9	177.2	179.7	-110.3	0	0	0	111.7	F554 V558 L563 F567 I569 D618 L619 E620 F626 V679 F680 F683	F554-F622 HydrophobicContact CE1-CE2 4.49Å; F554-F622 HydrophobicContact CZ-CE2 4.18Å; V558-F622 HydrophobicContact CG1-CD2 4.38Å; V558-F622 HydrophobicContact CG1-CE2 4.14Å; V558-F622 HydrophobicContact CG2-CD2 4.36Å; V558-F622 HydrophobicContact CG2-CE2 4.28Å; L563-F622 HydrophobicContact CB-CD2 4.27Å; L563-F622 HydrophobicContact CD1-CB 4.16Å; L563-F622 HydrophobicContact CD1-CD2 4.15Å; F567-F622 HydrophobicContact CD2-CB 4.42Å; F567-F622 HydrophobicContact CE2-CB 4.09Å; I569-F622 HydrophobicContact CD1-CD2 4.17Å; I569-F622 HydrophobicContact CD1-CE1 4.1Å; I569-F622 HydrophobicContact CD1-CE2 3.59Å; I569-F622 HydrophobicContact CD1-CZ 3.55Å; D618-F622 WeakPolarHBondContact O-CB 3.48Å; D618-F622 PolarHBondContact O-N 2.96Å; L619-F622 PolarHBondContact O-N 3.13Å; E620-F622 PolarHBondContact O-N 2.82Å; F622-F626 HydrophobicContact CE1-CD2 4.42Å; F622-F626 HydrophobicContact CZ-CD2 4.2Å; F622-F626 WeakPolarHBondContact O-CB 3.26Å; F622-F626 PolarHBondContact O-N 3.4Å; F622-V679 HydrophobicContact CZ-CG1 3.83Å; F622-F680 HydrophobicContact CD1-CE1 4.36Å; F622-F680 HydrophobicContact CE1-CD1 4.35Å; F622-F680 AromaticContact CE1-CE1 3.72Å; F622-F680 HydrophobicContact CE1-CE1 3.72Å; F622-F680 HydrophobicContact CE1-CZ 4.31Å; F622-F683 HydrophobicContact CD1-CE2 4.32Å; F622-F683 AromaticContact CD1-CZ 3.92Å; F622-F683 HydrophobicContact CD1-CZ 3.92Å; F622-F683 HydrophobicContact CE1-CE2 4.47Å; F622-F683 AromaticContact CE1-CZ 3.85Å; F622-F683 HydrophobicContact CE1-CZ 3.85Å
623	T	98.3	Very high	96.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-74.5	-30.7	-175.2	58.5	0	0	0	0	114.3	L619 E620 I621 F626 A627 M694 I695 M698	L619-T623 WeakPolarHBondContact O-CB 3.44Å; L619-T623 WeakPolarHBondContact O-CG2 3.17Å; L619-T623 PolarHBondContact O-N 2.81Å; L619-T623 PolarHBondContact O-OG1 3.05Å; E620-T623 WeakPolarHBondContact CA-OG1 3.13Å; E620-T623 PolarHBondContact O-N 3.18Å; E620-T623 VanDerWaalsContact O-N 3.14Å; E620-T623 PolarHBondContact O-OG1 3.23Å; I621-T623 VanDerWaalsContact C-N 3.35Å; T623-F626 PolarHBondContact O-N 2.88Å; T623-A627 WeakPolarHBondContact O-CB 3.38Å; T623-A627 PolarHBondContact O-N 3.31Å; T623-M694 HydrophobicContact CG2-CE 3.99Å; T623-M694 WeakPolarHBondContact OG1-CE 3.48Å; T623-I695 HydrophobicContact CG2-CD1 4.33Å; T623-I695 HydrophobicContact CG2-CG1 4.44Å; T623-M698 WeakPolarHBondContact O-CE 3.17Å
624	V	98.7	Very high	96.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-70.8	-42.1	174.7	68.7	0	0	0	0	110.9	T603 L607 E620 I621 F626 A627 C628 M698 L741 V745	T603-V624 HydrophobicContact CG2-CG1 4.25Å; T603-V624 HydrophobicContact CG2-CG2 3.92Å; L607-V624 HydrophobicContact CD1-CG1 3.98Å; L607-V624 HydrophobicContact CD2-CG1 4.39Å; E620-V624 WeakPolarHBondContact O-CG1 3.35Å; E620-V624 PolarHBondContact O-N 2.74Å; I621-V624 WeakPolarHBondContact O-CG1 3.31Å; V624-F626 VanDerWaalsContact C-N 3.34Å; V624-F626 PolarHBondContact O-N 3.08Å; V624-A627 PolarHBondContact O-N 3.5Å; V624-C628 PolarHBondContact O-N 2.9Å; V624-C628 PolarHBondContact O-SG 3.02Å; V624-M698 HydrophobicContact CB-CE 4.17Å; V624-M698 HydrophobicContact CB-SD 3.73Å; V624-M698 HydrophobicContact CG2-SD 3.64Å; V624-L741 HydrophobicContact CB-CD2 4.08Å; V624-L741 HydrophobicContact CG1-CD2 4.2Å; V624-L741 HydrophobicContact CG2-CD2 4.16Å; V624-V745 HydrophobicContact CG2-CG2 3.46Å; V624-V745 VanDerWaalsContact CG2-CG2 3.46Å
625	L	98.7	Very high	97.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.2	-44	172.4	-67.5	168.3	0	0	0	111.1	F554 I557 L563 V600 T603 H604 L607 I621 C628 A629	F554-L625 HydrophobicContact CE2-CB 4.14Å; F554-L625 WeakPolarHBondContact CE2-O 3.44Å; I557-L625 HydrophobicContact CG2-CD1 3.61Å; I557-L625 HydrophobicContact CG2-CD2 3.98Å; I557-L625 HydrophobicContact CG2-CG 4.43Å; L563-L625 HydrophobicContact CD1-CD1 4.13Å; V600-L625 HydrophobicContact CG1-CD2 4.35Å; T603-L625 HydrophobicContact CG2-CD2 4.36Å; H604-L625 HydrophobicContact CB-CD2 4.18Å; L607-L625 HydrophobicContact CD1-CD2 4.29Å; L607-L625 HydrophobicContact CD1-CG 4.3Å; I621-L625 HydrophobicContact CG2-CD1 4.26Å; I621-L625 WeakPolarHBondContact O-CD1 3.45Å; I621-L625 WeakPolarHBondContact O-CG 3.29Å; I621-L625 PolarHBondContact O-N 3.28Å; L625-C628 PolarHBondContact O-N 3.09Å; L625-A629 PolarHBondContact O-N 2.92Å
626	F	98.7	Very high	97.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.6	-44.4	176.5	-170.8	-78.8	0	0	0	111.6	F554 Y577 F622 T623 V624 A629 I630 L672 V679 F680 I695	F554-F626 HydrophobicContact CZ-CB 4.48Å; F554-F626 HydrophobicContact CZ-CD2 4.41Å; Y577-F626 HydrophobicContact CD1-CE2 4.02Å; Y577-F626 HydrophobicContact CD1-CZ 4.29Å; Y577-F626 HydrophobicContact CE1-CE1 4.33Å; Y577-F626 AromaticContact CE1-CE2 3.44Å; Y577-F626 HydrophobicContact CE1-CE2 3.44Å; Y577-F626 VanDerWaalsContact CE1-CE2 3.44Å; Y577-F626 AromaticContact CE1-CZ 3.32Å; Y577-F626 HydrophobicContact CE1-CZ 3.32Å; Y577-F626 AromaticContact CZ-CZ 3.52Å; Y577-F626 WeakPolarHBondContact OH-CZ 3.45Å; F622-F626 HydrophobicContact CE1-CD2 4.42Å; F622-F626 HydrophobicContact CZ-CD2 4.2Å; F622-F626 WeakPolarHBondContact O-CB 3.26Å; F622-F626 PolarHBondContact O-N 3.4Å; T623-F626 PolarHBondContact O-N 2.88Å; V624-F626 VanDerWaalsContact C-N 3.34Å; V624-F626 PolarHBondContact O-N 3.08Å; F626-A629 PolarHBondContact O-N 3.03Å; F626-I630 HydrophobicContact CD1-CD1 4.37Å; F626-I630 HydrophobicContact CD1-CG2 4.43Å; F626-I630 HydrophobicContact CE1-CD1 4.14Å; F626-I630 HydrophobicContact CE1-CG2 4.14Å; F626-I630 WeakPolarHBondContact O-CG1 3.28Å; F626-I630 PolarHBondContact O-N 3.05Å; F626-L672 HydrophobicContact CZ-CD2 4.46Å; F626-V679 HydrophobicContact CE2-CG2 4.46Å; F626-F680 HydrophobicContact CD1-CZ 4.27Å; F626-F680 HydrophobicContact CD2-CE2 4.47Å; F626-F680 AromaticContact CD2-CZ 3.96Å; F626-F680 HydrophobicContact CD2-CZ 3.96Å; F626-F680 HydrophobicContact CE1-CE2 4.17Å; F626-F680 HydrophobicContact CE1-CZ 4.06Å; F626-F680 AromaticContact CE2-CE2 3.78Å; F626-F680 HydrophobicContact CE2-CE2 3.78Å; F626-F680 AromaticContact CE2-CZ 3.73Å; F626-F680 HydrophobicContact CE2-CZ 3.73Å; F626-F680 HydrophobicContact CG-CZ 4.22Å; F626-F680 AromaticContact CZ-CE2 3.59Å; F626-F680 HydrophobicContact CZ-CE2 3.59Å; F626-F680 AromaticContact CZ-CZ 3.77Å; F626-F680 HydrophobicContact CZ-CZ 3.77Å; F626-I695 HydrophobicContact CB-CD1 4.47Å; F626-I695 HydrophobicContact CD1-CD1 3.5Å; F626-I695 HydrophobicContact CD1-CG1 4.13Å; F626-I695 HydrophobicContact CD1-CG2 4.39Å; F626-I695 HydrophobicContact CE1-CD1 3.96Å; F626-I695 HydrophobicContact CG-CD1 4.16Å
627	A	98.9	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.1	-47.4	176	0	0	0	0	0	111.6	T623 V624 A629 I630 H631 I695 M698 V699	T623-A627 WeakPolarHBondContact O-CB 3.38Å; T623-A627 PolarHBondContact O-N 3.31Å; V624-A627 PolarHBondContact O-N 3.5Å; A627-A629 VanDerWaalsContact C-N 3.27Å; A627-A629 PolarHBondContact O-N 2.89Å; A627-I630 WeakPolarHBondContact O-CG1 3.43Å; A627-I630 PolarHBondContact O-N 3.13Å; A627-I630 VanDerWaalsContact O-N 3.13Å; A627-H631 WeakPolarHBondContact O-CB 3.43Å; A627-H631 PolarHBondContact O-N 3.09Å; A627-I695 HydrophobicContact CB-CG2 4.41Å; A627-M698 HydrophobicContact CB-CB 4.05Å; A627-M698 HydrophobicContact CB-CE 3.98Å; A627-V699 HydrophobicContact CB-CG2 4.03Å
628	C	98.9	Very high	98.2	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-56.7	-39.9	175.3	-64.6	0	0	0	0	112.5	V599 V600 T603 V624 L625 I630 H631	V599-C628 HydrophobicContact CG1-CB 3.98Å; V600-C628 HydrophobicContact CB-CB 4.39Å; V600-C628 HydrophobicContact CG2-CB 3.65Å; T603-C628 PolarHBondContact OG1-SG 3.2Å; V624-C628 PolarHBondContact O-N 2.9Å; V624-C628 PolarHBondContact O-SG 3.02Å; L625-C628 PolarHBondContact O-N 3.09Å; C628-I630 PolarHBondContact O-N 3.41Å; C628-H631 PolarHBondContact O-ND1 2.78Å
629	A	98.8	Very high	98.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-68.1	-24.3	-178.6	0	0	0	0	0	113.5	L550 F554 M578 Y585 V600 L625 F626 A627	L550-A629 HydrophobicContact CD1-CB 4.1Å; F554-A629 HydrophobicContact CD2-CB 3.66Å; F554-A629 HydrophobicContact CE2-CB 3.9Å; M578-A629 HydrophobicContact CE-CB 3.88Å; Y585-A629 WeakPolarHBondContact CE2-O 3.5Å; Y585-A629 PolarHBondContact OH-O 3.02Å; V600-A629 VanDerWaalsContact CG2-CA 3.5Å; V600-A629 HydrophobicContact CG2-CB 3.72Å; V600-A629 VanDerWaalsContact CG2-N 3.35Å; L625-A629 PolarHBondContact O-N 2.92Å; F626-A629 PolarHBondContact O-N 3.03Å; A627-A629 VanDerWaalsContact C-N 3.27Å; A627-A629 PolarHBondContact O-N 2.89Å
630	I	98.8	Very high	98.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-110.1	-5	-176.9	68.9	156.6	0	0	0	114.2	V581 F626 A627 C628 D632 V633 L665 A668 I695 V699	V581-I630 HydrophobicContact CG1-CG2 4.25Å; V581-I630 HydrophobicContact CG2-CG2 4.3Å; F626-I630 HydrophobicContact CD1-CD1 4.37Å; F626-I630 HydrophobicContact CD1-CG2 4.43Å; F626-I630 HydrophobicContact CE1-CD1 4.14Å; F626-I630 HydrophobicContact CE1-CG2 4.14Å; F626-I630 WeakPolarHBondContact O-CG1 3.28Å; F626-I630 PolarHBondContact O-N 3.05Å; A627-I630 WeakPolarHBondContact O-CG1 3.43Å; A627-I630 PolarHBondContact O-N 3.13Å; A627-I630 VanDerWaalsContact O-N 3.13Å; C628-I630 PolarHBondContact O-N 3.41Å; I630-D632 PolarHBondContact O-N 2.63Å; I630-V633 HydrophobicContact CB-CG1 4.31Å; I630-V633 WeakPolarHBondContact O-CG1 3.43Å; I630-V633 PolarHBondContact O-N 2.87Å; I630-V633 VanDerWaalsContact O-N 3.08Å; I630-L665 HydrophobicContact CD1-CD2 4.27Å; I630-A668 HydrophobicContact CB-CB 3.74Å; I630-A668 HydrophobicContact CD1-CB 3.38Å; I630-A668 HydrophobicContact CG1-CB 4.15Å; I630-A668 HydrophobicContact CG2-CB 3.86Å; I630-I695 HydrophobicContact CD1-CG2 3.72Å; I630-V699 HydrophobicContact CD1-CG2 4.3Å; I630-V699 HydrophobicContact CG1-CG2 4.21Å
631	H	98.8	Very high	98.3	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.4	-162.9	76.7	-70.3	0	0	0	114	H595 A627 C628 H664 V699 T702	H595-H631 AromaticContact NE2-NE2 3.64Å; A627-H631 WeakPolarHBondContact O-CB 3.43Å; A627-H631 PolarHBondContact O-N 3.09Å; C628-H631 PolarHBondContact O-ND1 2.78Å; H631-H664 VanDerWaalsContact O-CB 3.26Å; H631-H664 WeakPolarHBondContact O-CB 3.44Å; H631-H664 PolarHBondContact O-CD2 3.47Å; H631-V699 HydrophobicContact CB-CG1 4.35Å; H631-V699 HydrophobicContact CB-CG2 4.31Å; H631-T702 HydrophobicContact CB-CG2 4.41Å
632	D	98.8	Very high	98.3	Very high	13 Å²	13	11.7 Å²	11.7	7%	0.07	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	11	-178.9	-93.9	-12	0	0	0	114	Y585 H591 H595 I630 G634 H635 H664	Y585-D632 VanDerWaalsContact CE1-C 3.46Å; Y585-D632 HydrophobicContact CE1-CB 3.61Å; Y585-D632 WeakPolarHBondContact CE1-O 3.25Å; H591-D632 IonicContact CD2-OD2 3.95Å; H591-D632 PolarHBondContact CD2-OD2 2.98Å; H591-D632 IonicContact CG-OD2 2.64Å; H595-D632 IonicContact CD2-OD2 3.71Å; H595-D632 PolarHBondContact CD2-OD2 3.28Å; H595-D632 VanDerWaalsContact CD2-OD2 3.23Å; H595-D632 IonicContact NE2-OD2 2.94Å; I630-D632 PolarHBondContact O-N 2.63Å; D632-G634 PolarHBondContact O-N 2.89Å; D632-G634 VanDerWaalsContact O-N 3.13Å; D632-H635 WeakPolarHBondContact O-CB 3.45Å; D632-H635 PolarHBondContact O-N 2.76Å; D632-H664 VanDerWaalsContact C-ND1 3.3Å; D632-H664 PolarHBondContact O-CE1 2.65Å; D632-H664 PolarHBondContact O-ND1 2.72Å; D632-H664 IonicContact OD1-NE2 3.71Å
633	V	98.5	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	123	-170.2	71	0	0	0	0	111.5	V581 K584 Y585 I630 H664 I667 A668	V581-V633 HydrophobicContact CG1-CG2 4.08Å; V581-V633 WeakPolarHBondContact O-CG2 3.34Å; K584-V633 HydrophobicContact CB-CG2 3.53Å; Y585-V633 HydrophobicContact CD2-CB 4.43Å; Y585-V633 HydrophobicContact CD2-CG2 4.09Å; Y585-V633 HydrophobicContact CE2-CB 3.88Å; Y585-V633 HydrophobicContact CE2-CG2 3.95Å; I630-V633 HydrophobicContact CB-CG1 4.31Å; I630-V633 WeakPolarHBondContact O-CG1 3.43Å; I630-V633 PolarHBondContact O-N 2.87Å; I630-V633 VanDerWaalsContact O-N 3.08Å; V633-H664 HydrophobicContact CG1-CB 4.35Å; V633-H664 VanDerWaalsContact CG1-O 3.31Å; V633-H664 WeakPolarHBondContact CG1-O 3.39Å; V633-H664 PolarHBondContact O-ND1 3.07Å; V633-I667 HydrophobicContact CG1-CB 4.13Å; V633-I667 HydrophobicContact CG1-CG2 3.96Å; V633-I667 HydrophobicContact CG2-CG2 4.11Å; V633-A668 HydrophobicContact CG1-CB 4.04Å
634	G	98	Very high	98.3	Very high	10 Å²	10	13.4 Å²	13.4	10%	0.103	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	10.7	-174.4	0	0	0	0	0	116	K584 D632	K584-G634 VanDerWaalsContact O-CA 3.24Å; K584-G634 WeakPolarHBondContact O-CA 3.33Å; K584-G634 PolarHBondContact O-N 3.31Å; D632-G634 PolarHBondContact O-N 2.89Å; D632-G634 VanDerWaalsContact O-N 3.13Å
635	H	98.6	Very high	98.1	Very high	9 Å²	9	17.5 Å²	17.5	4%	0.042	10%	0.097	C	C	.	.			trans	-51.7	127.5	177.9	-166.2	-93.8	0	0	0	112.5	N586 N588 H591 D632 G637 V638 H664 E770	N586-H635 PolarHBondContact ND2-O 3.46Å; N588-H635 PolarHBondContact ND2-O 2.76Å; H591-H635 HydrophobicContact CB-CB 3.89Å; H591-H635 VanDerWaalsContact CB-ND1 3.31Å; H591-H635 WeakPolarHBondContact CB-ND1 3.5Å; H591-H635 AromaticContact CE1-CE1 3.81Å; H591-H635 AromaticContact CG-CE1 3.61Å; H591-H635 AromaticContact CG-CG 3.95Å; H591-H635 AromaticContact CG-ND1 3.54Å; H591-H635 AromaticContact ND1-CE1 3.24Å; H591-H635 PolarHBondContact ND1-CE1 3.08Å; H591-H635 AromaticContact ND1-ND1 3.54Å; H591-H635 AromaticContact ND1-NE2 3.91Å; D632-H635 WeakPolarHBondContact O-CB 3.45Å; D632-H635 PolarHBondContact O-N 2.76Å; H635-G637 VanDerWaalsContact C-N 3.29Å; H635-G637 PolarHBondContact ND1-N 2.91Å; H635-G637 VanDerWaalsContact ND1-N 3.16Å; H635-G637 PolarHBondContact O-N 2.91Å; H635-V638 PolarHBondContact NE2-O 3.3Å; H635-H664 AromaticContact CD2-CE1 3.98Å; H635-H664 AromaticContact CD2-NE2 3.86Å; H635-E770 IonicContact CE1-OE1 3.14Å; H635-E770 IonicContact ND1-OE1 2.77Å
636	P	98.2	Very high	98	Very high	40 Å²	40	19.6 Å²	19.6	26%	0.26	11%	0.11	S	C	.	.			trans	-84.5	3.8	-174.5	33.1	-35.5	0	0	0	114.5	V638 L660	P636-V638 HydrophobicContact CB-CG2 4.17Å; P636-V638 HydrophobicContact CG-CG2 3.72Å; P636-L660 HydrophobicContact CG-CD2 3.78Å
637	G	98	Very high	97.9	Very high	3 Å²	3	25.5 Å²	25.5	3%	0.031	14%	0.141	C	C	.	.	S	Bend	trans	73.4	33.9	-178.1	0	0	0	0	0	113.5	H635 E770 K777	H635-G637 VanDerWaalsContact C-N 3.29Å; H635-G637 PolarHBondContact ND1-N 2.91Å; H635-G637 VanDerWaalsContact ND1-N 3.16Å; H635-G637 PolarHBondContact O-N 2.91Å; G637-E770 VanDerWaalsContact CA-OE1 3.29Å; G637-E770 WeakPolarHBondContact CA-OE1 3.49Å; G637-K777 PolarHBondContact O-NZ 3.48Å
638	V	98.1	Very high	97.9	Very high	9 Å²	9	28.3 Å²	28.3	6%	0.055	16%	0.156	C	C	.	.	S	Bend	trans	-153.4	152.2	176.5	-65.8	0	0	0	0	109.8	H635 P636 Y642 L643 L660 Q774 K777	H635-V638 PolarHBondContact NE2-O 3.3Å; P636-V638 HydrophobicContact CB-CG2 4.17Å; P636-V638 HydrophobicContact CG-CG2 3.72Å; V638-Y642 HydrophobicContact CB-CD1 3.56Å; V638-Y642 HydrophobicContact CB-CE1 4.12Å; V638-Y642 HydrophobicContact CB-CG 3.82Å; V638-Y642 HydrophobicContact CG1-CD1 3.78Å; V638-Y642 HydrophobicContact CG1-CD2 4.35Å; V638-Y642 HydrophobicContact CG1-CE1 3.87Å; V638-Y642 HydrophobicContact CG1-CE2 4.4Å; V638-Y642 HydrophobicContact CG1-CG 4.05Å; V638-Y642 HydrophobicContact CG2-CD1 3.53Å; V638-Y642 HydrophobicContact CG2-CE1 3.98Å; V638-Y642 HydrophobicContact CG2-CG 4.29Å; V638-L643 HydrophobicContact CG2-CD2 3.75Å; V638-L643 HydrophobicContact CG2-CG 4.11Å; V638-L660 WeakPolarHBondContact O-CD1 3.32Å; V638-Q774 HydrophobicContact CB-CG 4.31Å; V638-Q774 HydrophobicContact CG1-CB 4.25Å; V638-Q774 HydrophobicContact CG1-CG 3.95Å; V638-K777 HydrophobicContact CG1-CD 3.83Å
639	T	97.9	Very high	97.8	Very high	56 Å²	56	36.2 Å²	36.2	34%	0.344	19%	0.193	S	C	.	.			trans	-71.8	160.2	-178.8	56	0	0	0	0	114.4	Q641 Y642 L643 Q774	T639-Q641 PolarHBondContact O-N 3.3Å; T639-Y642 WeakPolarHBondContact O-CB 3.2Å; T639-Y642 PolarHBondContact O-N 3.31Å; T639-Y642 VanDerWaalsContact O-N 3.17Å; T639-Y642 PolarHBondContact OG1-N 3.01Å; T639-L643 PolarHBondContact O-N 2.89Å; T639-Q774 PolarHBondContact OG1-NE2 3.46Å; T639-Q774 PolarHBondContact OG1-OE1 3.04Å
640	N	98	Very high	97.8	Very high	28 Å²	28	37.7 Å²	37.7	15%	0.15	20%	0.201	C	C	.	.	H	α-helix	trans	-48.5	-43.8	167.6	-82.8	-34.7	0	0	0	112	L643 I644 V659 L660 E661	N640-L643 PolarHBondContact O-N 2.99Å; N640-I644 WeakPolarHBondContact O-CD1 3.16Å; N640-I644 VanDerWaalsContact O-CG1 3.3Å; N640-I644 WeakPolarHBondContact O-CG1 3.47Å; N640-I644 PolarHBondContact O-N 3.02Å; N640-I644 VanDerWaalsContact O-N 3.14Å; N640-V659 WeakPolarHBondContact OD1-CB 3.29Å; N640-V659 PolarHBondContact OD1-N 3.28Å; N640-L660 WeakPolarHBondContact OD1-CB 3.48Å; N640-L660 WeakPolarHBondContact OD1-CD1 3.16Å; N640-L660 VanDerWaalsContact OD1-CG 3.22Å; N640-L660 WeakPolarHBondContact OD1-CG 3.39Å; N640-L660 PolarHBondContact OD1-N 2.85Å; N640-E661 PolarHBondContact ND2-OE1 3.04Å; N640-E661 PolarHBondContact ND2-OE2 3.13Å; N640-E661 VanDerWaalsContact ND2-OE2 3.09Å
641	Q	96.8	Very high	97.7	Very high	50 Å²	50	37.7 Å²	37.7	23%	0.234	20%	0.201	C	C	.	.	H	α-helix	trans	-67.4	-38.4	-178.2	-167.8	60.2	47	0	0	112.9	Y86 T639 I644 N645	Y86-Q641 VanDerWaalsContact CZ-OE1 3.3Å; Y86-Q641 PolarHBondContact OH-OE1 2.78Å; T639-Q641 PolarHBondContact O-N 3.3Å; Q641-I644 PolarHBondContact O-N 3.46Å; Q641-N645 PolarHBondContact NE2-OD1 3.25Å; Q641-N645 WeakPolarHBondContact O-CB 3.26Å; Q641-N645 PolarHBondContact O-N 2.93Å; Q641-N645 PolarHBondContact O-OD1 3.12Å
642	Y	97.7	Very high	97.7	Very high	27 Å²	27	43 Å²	43	11%	0.106	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-49.6	173.3	173.8	-81	0	0	0	110.5	V638 T639 I644 N645 T646 Q774 K777 E778 L781	V638-Y642 HydrophobicContact CB-CD1 3.56Å; V638-Y642 HydrophobicContact CB-CE1 4.12Å; V638-Y642 HydrophobicContact CB-CG 3.82Å; V638-Y642 HydrophobicContact CG1-CD1 3.78Å; V638-Y642 HydrophobicContact CG1-CD2 4.35Å; V638-Y642 HydrophobicContact CG1-CE1 3.87Å; V638-Y642 HydrophobicContact CG1-CE2 4.4Å; V638-Y642 HydrophobicContact CG1-CG 4.05Å; V638-Y642 HydrophobicContact CG2-CD1 3.53Å; V638-Y642 HydrophobicContact CG2-CE1 3.98Å; V638-Y642 HydrophobicContact CG2-CG 4.29Å; T639-Y642 WeakPolarHBondContact O-CB 3.2Å; T639-Y642 PolarHBondContact O-N 3.31Å; T639-Y642 VanDerWaalsContact O-N 3.17Å; T639-Y642 PolarHBondContact OG1-N 3.01Å; Y642-I644 VanDerWaalsContact C-N 3.31Å; Y642-I644 PolarHBondContact O-N 3.09Å; Y642-N645 PolarHBondContact O-N 3Å; Y642-T646 HydrophobicContact CD1-CG2 4.22Å; Y642-T646 HydrophobicContact CD2-CG2 4.45Å; Y642-T646 HydrophobicContact CE1-CG2 3.83Å; Y642-T646 HydrophobicContact CE2-CG2 4.11Å; Y642-T646 WeakPolarHBondContact O-CG2 3.35Å; Y642-T646 PolarHBondContact O-N 2.98Å; Y642-T646 PolarHBondContact O-OG1 2.95Å; Y642-T646 VanDerWaalsContact O-OG1 3.07Å; Y642-Q774 HydrophobicContact CD2-CG 3.61Å; Y642-Q774 HydrophobicContact CE2-CG 4.23Å; Y642-Q774 HydrophobicContact CG-CG 4.13Å; Y642-K777 HydrophobicContact CE2-CB 4.01Å; Y642-E778 HydrophobicContact CD2-CG 3.72Å; Y642-E778 HydrophobicContact CE2-CG 3.81Å; Y642-L781 HydrophobicContact CE2-CD1 4.47Å; Y642-L781 WeakPolarHBondContact OH-CD1 3.4Å
643	L	98.1	Very high	97.6	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-41.3	-178.8	-64.3	175.7	0	0	0	112.3	V638 T639 N640 T646 N647 D648 L650 A651 V659 L660	V638-L643 HydrophobicContact CG2-CD2 3.75Å; V638-L643 HydrophobicContact CG2-CG 4.11Å; T639-L643 PolarHBondContact O-N 2.89Å; N640-L643 PolarHBondContact O-N 2.99Å; L643-T646 PolarHBondContact O-OG1 3.13Å; L643-N647 PolarHBondContact O-N 3.3Å; L643-D648 HydrophobicContact CB-CB 4.05Å; L643-D648 HydrophobicContact CD2-CB 3.81Å; L643-D648 WeakPolarHBondContact O-CB 3.3Å; L643-D648 PolarHBondContact O-N 2.68Å; L643-L650 HydrophobicContact CD1-CD1 4.43Å; L643-A651 HydrophobicContact CB-CB 4.27Å; L643-V659 HydrophobicContact CD1-CG1 3.95Å; L643-L660 HydrophobicContact CD1-CD2 3.76Å; L643-L660 HydrophobicContact CD1-CG 3.94Å
644	I	97.4	Very high	97.6	Very high	31 Å²	31	49.8 Å²	49.8	16%	0.159	26%	0.261	C	S	.	.	H	α-helix	trans	-64.2	-50.8	175.8	-64.4	162.7	0	0	0	110.1	N640 Q641 Y642 T646 N647 A651 D656 V659	N640-I644 WeakPolarHBondContact O-CD1 3.16Å; N640-I644 VanDerWaalsContact O-CG1 3.3Å; N640-I644 WeakPolarHBondContact O-CG1 3.47Å; N640-I644 PolarHBondContact O-N 3.02Å; N640-I644 VanDerWaalsContact O-N 3.14Å; Q641-I644 PolarHBondContact O-N 3.46Å; Y642-I644 VanDerWaalsContact C-N 3.31Å; Y642-I644 PolarHBondContact O-N 3.09Å; I644-T646 VanDerWaalsContact C-N 3.29Å; I644-T646 PolarHBondContact O-N 2.95Å; I644-N647 PolarHBondContact O-N 3.06Å; I644-A651 HydrophobicContact CG1-CB 4.06Å; I644-D656 HydrophobicContact CD1-CB 3.94Å; I644-D656 HydrophobicContact CG1-CB 3.94Å; I644-D656 HydrophobicContact CG2-CB 4.45Å; I644-V659 HydrophobicContact CG1-CG2 4.46Å
645	N	95.8	Very high	97.6	Very high	86 Å²	86	55.5 Å²	55.5	46%	0.46	29%	0.289	S	S	.	.	H	α-helix	trans	-59.8	-37.7	-179.6	-71	-4.6	0	0	0	112.3	Q641 Y642 N647	Q641-N645 PolarHBondContact NE2-OD1 3.25Å; Q641-N645 WeakPolarHBondContact O-CB 3.26Å; Q641-N645 PolarHBondContact O-N 2.93Å; Q641-N645 PolarHBondContact O-OD1 3.12Å; Y642-N645 PolarHBondContact O-N 3Å; N645-N647 VanDerWaalsContact C-N 3.28Å; N645-N647 PolarHBondContact O-N 3.4Å; N645-N647 PolarHBondContact O-ND2 3.47Å
646	T	96.5	Very high	97.6	Very high	43 Å²	43	59 Å²	59	26%	0.264	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	0.4	177.6	60.1	0	0	0	0	114.2	Y642 L643 I644 D648 L781 I783	Y642-T646 HydrophobicContact CD1-CG2 4.22Å; Y642-T646 HydrophobicContact CD2-CG2 4.45Å; Y642-T646 HydrophobicContact CE1-CG2 3.83Å; Y642-T646 HydrophobicContact CE2-CG2 4.11Å; Y642-T646 WeakPolarHBondContact O-CG2 3.35Å; Y642-T646 PolarHBondContact O-N 2.98Å; Y642-T646 PolarHBondContact O-OG1 2.95Å; Y642-T646 VanDerWaalsContact O-OG1 3.07Å; L643-T646 PolarHBondContact O-OG1 3.13Å; I644-T646 VanDerWaalsContact C-N 3.29Å; I644-T646 PolarHBondContact O-N 2.95Å; T646-D648 VanDerWaalsContact C-N 3.26Å; T646-D648 PolarHBondContact O-N 3.38Å; T646-L781 HydrophobicContact CG2-CD1 3.67Å; T646-I783 HydrophobicContact CG2-CD1 4.15Å
647	N	96.2	Very high	97.5	Very high	124 Å²	124	60.5 Å²	60.5	66%	0.663	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	42.8	-173.5	-64.1	-109.2	0	0	0	112	L643 I644 N645 I652	L643-N647 PolarHBondContact O-N 3.3Å; I644-N647 PolarHBondContact O-N 3.06Å; N645-N647 VanDerWaalsContact C-N 3.28Å; N645-N647 PolarHBondContact O-N 3.4Å; N645-N647 PolarHBondContact O-ND2 3.47Å; N647-I652 WeakPolarHBondContact O-CD1 3.5Å
648	D	97.7	Very high	97.4	Very high	59 Å²	59	61 Å²	61	32%	0.316	32%	0.323	S	S	.	.			trans	-64	151.9	-178.2	-172.8	-92.3	0	0	0	111.7	L643 T646 L650 A651 I652	L643-D648 HydrophobicContact CB-CB 4.05Å; L643-D648 HydrophobicContact CD2-CB 3.81Å; L643-D648 WeakPolarHBondContact O-CB 3.3Å; L643-D648 PolarHBondContact O-N 2.68Å; T646-D648 VanDerWaalsContact C-N 3.26Å; T646-D648 PolarHBondContact O-N 3.38Å; D648-L650 PolarHBondContact O-N 2.76Å; D648-L650 WeakPolarHBondContact OD1-CB 3.27Å; D648-L650 WeakPolarHBondContact OD1-CG 3.15Å; D648-L650 PolarHBondContact OD1-N 3.03Å; D648-A651 PolarHBondContact O-N 2.94Å; D648-I652 WeakPolarHBondContact O-CG1 3.25Å; D648-I652 PolarHBondContact O-N 3.42Å
649	Q	97.7	Very high	97.5	Very high	166 Å²	166	60.6 Å²	60.6	78%	0.776	32%	0.32	S	S	*	.	H	α-helix	trans	-59.3	-31	179.8	-63.8	-174.5	19	0	0	112.7	L653	Q649-L653 WeakPolarHBondContact O-CB 3.24Å; Q649-L653 PolarHBondContact O-N 2.92Å
650	L	97.5	Very high	97.5	Very high	31 Å²	31	58.2 Å²	58.2	16%	0.162	31%	0.305	C	S	.	.	H	α-helix	trans	-67.8	-44.4	174.4	-62.8	-178.3	0	0	0	111.6	L643 D648 I652 L653 Y654 V659	L643-L650 HydrophobicContact CD1-CD1 4.43Å; D648-L650 PolarHBondContact O-N 2.76Å; D648-L650 WeakPolarHBondContact OD1-CB 3.27Å; D648-L650 WeakPolarHBondContact OD1-CG 3.15Å; D648-L650 PolarHBondContact OD1-N 3.03Å; L650-I652 PolarHBondContact O-N 3.03Å; L650-L653 PolarHBondContact O-N 3.29Å; L650-Y654 HydrophobicContact CD2-CE2 4.35Å; L650-Y654 VanDerWaalsContact O-CD2 3.27Å; L650-Y654 WeakPolarHBondContact O-CD2 3.37Å; L650-Y654 PolarHBondContact O-N 3.18Å; L650-V659 VanDerWaalsContact C-CG1 3.44Å; L650-V659 HydrophobicContact CB-CG1 3.71Å; L650-V659 WeakPolarHBondContact O-CG1 3.37Å
651	A	98	Very high	97.5	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-61	-46.5	178.2	0	0	0	0	0	111	L643 I644 D648 L653 Y654 N655 D656 V659	L643-A651 HydrophobicContact CB-CB 4.27Å; I644-A651 HydrophobicContact CG1-CB 4.06Å; D648-A651 PolarHBondContact O-N 2.94Å; A651-L653 PolarHBondContact O-N 3.38Å; A651-Y654 PolarHBondContact O-N 2.84Å; A651-N655 WeakPolarHBondContact O-CA 3.21Å; A651-N655 PolarHBondContact O-N 2.86Å; A651-D656 PolarHBondContact O-N 3.34Å; A651-V659 HydrophobicContact CB-CG1 4.42Å; A651-V659 HydrophobicContact CB-CG2 4.36Å
652	I	97.7	Very high	97.6	Very high	111 Å²	111	57.7 Å²	57.7	57%	0.569	30%	0.304	S	S	*	.	H	α-helix	trans	-60.7	-43	174.2	-62.6	169.3	0	0	0	111.5	N647 D648 L650	N647-I652 WeakPolarHBondContact O-CD1 3.5Å; D648-I652 WeakPolarHBondContact O-CG1 3.25Å; D648-I652 PolarHBondContact O-N 3.42Å; L650-I652 PolarHBondContact O-N 3.03Å
653	L	97.6	Very high	97.7	Very high	110 Å²	110	58.2 Å²	58.2	58%	0.576	31%	0.307	S	S	*	.	H	α-helix	trans	-65	-40	-179.1	177.9	63.7	0	0	0	112.5	Q649 L650 A651 N655	Q649-L653 WeakPolarHBondContact O-CB 3.24Å; Q649-L653 PolarHBondContact O-N 2.92Å; L650-L653 PolarHBondContact O-N 3.29Å; A651-L653 PolarHBondContact O-N 3.38Å; L653-N655 PolarHBondContact O-ND2 3.21Å
654	Y	98	Very high	97.7	Very high	46 Å²	46	58 Å²	58	18%	0.18	31%	0.306	C	S	.	.	H	α-helix	trans	-97.7	3.8	-177.9	-63.6	-63.3	0	0	0	114.1	L650 A651 D656 V659 N662 H663 A666	L650-Y654 HydrophobicContact CD2-CE2 4.35Å; L650-Y654 VanDerWaalsContact O-CD2 3.27Å; L650-Y654 WeakPolarHBondContact O-CD2 3.37Å; L650-Y654 PolarHBondContact O-N 3.18Å; A651-Y654 PolarHBondContact O-N 2.84Å; Y654-D656 VanDerWaalsContact C-N 3.34Å; Y654-D656 PolarHBondContact O-N 2.78Å; Y654-V659 HydrophobicContact CD2-CG1 4.18Å; Y654-V659 VanDerWaalsContact CD2-O 3.3Å; Y654-V659 WeakPolarHBondContact CD2-O 3.26Å; Y654-N662 HydrophobicContact CD1-CB 3.44Å; Y654-N662 VanDerWaalsContact CD1-CB 3.44Å; Y654-N662 HydrophobicContact CD2-CB 4.36Å; Y654-N662 HydrophobicContact CE1-CB 3.58Å; Y654-N662 HydrophobicContact CE2-CB 4.48Å; Y654-N662 HydrophobicContact CG-CB 3.87Å; Y654-H663 HydrophobicContact CE2-CB 3.79Å; Y654-A666 VanDerWaalsContact OH-CB 3.23Å; Y654-A666 WeakPolarHBondContact OH-CB 3.26Å
655	N	97.9	Very high	97.8	Very high	130 Å²	130	57 Å²	57	70%	0.695	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	48.3	177.1	-46.5	-100.1	0	0	0	111.4	A651 L653 S657	A651-N655 WeakPolarHBondContact O-CA 3.21Å; A651-N655 PolarHBondContact O-N 2.86Å; L653-N655 PolarHBondContact O-ND2 3.21Å; N655-S657 PolarHBondContact O-N 3.49Å
656	D	98	Very high	97.9	Very high	84 Å²	84	55.1 Å²	55.1	45%	0.449	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	5.8	175	-48.9	-36.1	0	0	0	116.4	I644 A651 Y654	I644-D656 HydrophobicContact CD1-CB 3.94Å; I644-D656 HydrophobicContact CG1-CB 3.94Å; I644-D656 HydrophobicContact CG2-CB 4.45Å; A651-D656 PolarHBondContact O-N 3.34Å; Y654-D656 VanDerWaalsContact C-N 3.34Å; Y654-D656 PolarHBondContact O-N 2.78Å
657	S	96.4	Very high	98	Very high	71 Å²	71	54.4 Å²	54.4	50%	0.497	29%	0.291	S	S	.	.	S	Bend	trans	-106.6	106.5	-175.7	174.8	0	0	0	0	112	N655 V659 N662	N655-S657 PolarHBondContact O-N 3.49Å; S657-V659 PolarHBondContact O-N 2.87Å; S657-N662 PolarHBondContact O-ND2 2.92Å
658	S	97.6	Very high	98.1	Very high	13 Å²	13	48.5 Å²	48.5	9%	0.091	26%	0.26	C	S	.	.	S	Bend	trans	52.2	55.4	177.7	-47.4	0	0	0	0	110.9	E661 N662 D703 K706	S658-E661 WeakPolarHBondContact CA-OE2 3.41Å; S658-E661 VanDerWaalsContact CB-OE2 3.3Å; S658-E661 WeakPolarHBondContact CB-OE2 3.46Å; S658-N662 WeakPolarHBondContact O-CB 3.35Å; S658-N662 PolarHBondContact O-N 3.39Å; S658-N662 PolarHBondContact O-ND2 2.72Å; S658-D703 WeakPolarHBondContact CB-OD2 3.49Å; S658-D703 PolarHBondContact OG-OD2 2.94Å; S658-K706 PolarHBondContact OG-NZ 3.23Å
659	V	98.6	Very high	98.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-48.6	-164.3	173.8	0	0	0	0	110.9	N640 L643 I644 L650 A651 Y654 S657 E661 H663	N640-V659 WeakPolarHBondContact OD1-CB 3.29Å; N640-V659 PolarHBondContact OD1-N 3.28Å; L643-V659 HydrophobicContact CD1-CG1 3.95Å; I644-V659 HydrophobicContact CG1-CG2 4.46Å; L650-V659 VanDerWaalsContact C-CG1 3.44Å; L650-V659 HydrophobicContact CB-CG1 3.71Å; L650-V659 WeakPolarHBondContact O-CG1 3.37Å; A651-V659 HydrophobicContact CB-CG1 4.42Å; A651-V659 HydrophobicContact CB-CG2 4.36Å; Y654-V659 HydrophobicContact CD2-CG1 4.18Å; Y654-V659 VanDerWaalsContact CD2-O 3.3Å; Y654-V659 WeakPolarHBondContact CD2-O 3.26Å; S657-V659 PolarHBondContact O-N 2.87Å; V659-E661 PolarHBondContact N-OE2 3.06Å; V659-H663 WeakPolarHBondContact O-CB 3.42Å; V659-H663 PolarHBondContact O-N 3.44Å; V659-H663 VanDerWaalsContact O-N 3.15Å
660	L	98.7	Very high	98.1	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-46.8	178.7	-73	167.9	0	0	0	111.4	P636 V638 N640 L643 N662 H663 H664	P636-L660 HydrophobicContact CG-CD2 3.78Å; V638-L660 WeakPolarHBondContact O-CD1 3.32Å; N640-L660 WeakPolarHBondContact OD1-CB 3.48Å; N640-L660 WeakPolarHBondContact OD1-CD1 3.16Å; N640-L660 VanDerWaalsContact OD1-CG 3.22Å; N640-L660 WeakPolarHBondContact OD1-CG 3.39Å; N640-L660 PolarHBondContact OD1-N 2.85Å; L643-L660 HydrophobicContact CD1-CD2 3.76Å; L643-L660 HydrophobicContact CD1-CG 3.94Å; L660-N662 VanDerWaalsContact C-N 3.32Å; L660-N662 PolarHBondContact O-N 3.21Å; L660-H663 CarbonylContact O-C 3.56Å; L660-H663 VanDerWaalsContact O-CA 3.32Å; L660-H663 WeakPolarHBondContact O-CA 3.39Å; L660-H663 VanDerWaalsContact O-CB 3.24Å; L660-H663 WeakPolarHBondContact O-CB 3.48Å; L660-H663 PolarHBondContact O-N 2.98Å; L660-H664 PolarHBondContact O-CD2 3.01Å; L660-H664 PolarHBondContact O-N 3.49Å; L660-H664 PolarHBondContact O-NE2 3.34Å
661	E	98.7	Very high	98.1	Very high	15 Å²	15	41.6 Å²	41.6	7%	0.07	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-37.4	-175	-55.1	77.9	-169.3	0	0	111.4	N640 S658 V659 L665 L700 D703	N640-E661 PolarHBondContact ND2-OE1 3.04Å; N640-E661 PolarHBondContact ND2-OE2 3.13Å; N640-E661 VanDerWaalsContact ND2-OE2 3.09Å; S658-E661 WeakPolarHBondContact CA-OE2 3.41Å; S658-E661 VanDerWaalsContact CB-OE2 3.3Å; S658-E661 WeakPolarHBondContact CB-OE2 3.46Å; V659-E661 PolarHBondContact N-OE2 3.06Å; E661-L665 WeakPolarHBondContact O-CD1 3.48Å; E661-L665 WeakPolarHBondContact O-CG 3.37Å; E661-L665 PolarHBondContact O-N 3.47Å; E661-L700 HydrophobicContact CB-CD2 4Å; E661-D703 HydrophobicContact CG-CB 3.87Å; E661-D703 WeakPolarHBondContact OE1-CA 3.31Å
662	N	98.6	Very high	98	Very high	52 Å²	52	42.1 Å²	42.1	28%	0.278	24%	0.235	S	C	.	.	H	α-helix	trans	-67.7	-34.8	169	-78.9	-78.2	0	0	0	112.8	Y654 S657 S658 L660 A666	Y654-N662 HydrophobicContact CD1-CB 3.44Å; Y654-N662 VanDerWaalsContact CD1-CB 3.44Å; Y654-N662 HydrophobicContact CD2-CB 4.36Å; Y654-N662 HydrophobicContact CE1-CB 3.58Å; Y654-N662 HydrophobicContact CE2-CB 4.48Å; Y654-N662 HydrophobicContact CG-CB 3.87Å; S657-N662 PolarHBondContact O-ND2 2.92Å; S658-N662 WeakPolarHBondContact O-CB 3.35Å; S658-N662 PolarHBondContact O-N 3.39Å; S658-N662 PolarHBondContact O-ND2 2.72Å; L660-N662 VanDerWaalsContact C-N 3.32Å; L660-N662 PolarHBondContact O-N 3.21Å; N662-A666 WeakPolarHBondContact O-CB 3.33Å; N662-A666 PolarHBondContact O-N 3.42Å
663	H	98.5	Very high	97.9	Very high	38 Å²	38	40.1 Å²	40.1	18%	0.176	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-45.5	176.8	-171.2	53.5	0	0	0	112.2	Y654 V659 L660 L665 A666 I667	Y654-H663 HydrophobicContact CE2-CB 3.79Å; V659-H663 WeakPolarHBondContact O-CB 3.42Å; V659-H663 PolarHBondContact O-N 3.44Å; V659-H663 VanDerWaalsContact O-N 3.15Å; L660-H663 CarbonylContact O-C 3.56Å; L660-H663 VanDerWaalsContact O-CA 3.32Å; L660-H663 WeakPolarHBondContact O-CA 3.39Å; L660-H663 VanDerWaalsContact O-CB 3.24Å; L660-H663 WeakPolarHBondContact O-CB 3.48Å; L660-H663 PolarHBondContact O-N 2.98Å; H663-L665 PolarHBondContact O-N 2.85Å; H663-A666 PolarHBondContact O-N 2.92Å; H663-A666 VanDerWaalsContact O-N 3.11Å; H663-I667 WeakPolarHBondContact NE2-CD1 3.42Å; H663-I667 PolarHBondContact O-N 2.71Å
664	H	98.7	Very high	97.7	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-57	-49.2	176.1	-56.6	-37.6	0	0	0	111	H631 D632 V633 H635 L660 A666 I667 A668 V699	H631-H664 VanDerWaalsContact O-CB 3.26Å; H631-H664 WeakPolarHBondContact O-CB 3.44Å; H631-H664 PolarHBondContact O-CD2 3.47Å; D632-H664 VanDerWaalsContact C-ND1 3.3Å; D632-H664 PolarHBondContact O-CE1 2.65Å; D632-H664 PolarHBondContact O-ND1 2.72Å; D632-H664 IonicContact OD1-NE2 3.71Å; V633-H664 HydrophobicContact CG1-CB 4.35Å; V633-H664 VanDerWaalsContact CG1-O 3.31Å; V633-H664 WeakPolarHBondContact CG1-O 3.39Å; V633-H664 PolarHBondContact O-ND1 3.07Å; H635-H664 AromaticContact CD2-CE1 3.98Å; H635-H664 AromaticContact CD2-NE2 3.86Å; L660-H664 PolarHBondContact O-CD2 3.01Å; L660-H664 PolarHBondContact O-N 3.49Å; L660-H664 PolarHBondContact O-NE2 3.34Å; H664-A666 PolarHBondContact O-N 2.77Å; H664-I667 PolarHBondContact O-N 2.86Å; H664-A668 VanDerWaalsContact O-CB 3.3Å; H664-A668 WeakPolarHBondContact O-CB 3.49Å; H664-A668 PolarHBondContact O-N 3.33Å; H664-V699 HydrophobicContact CB-CG1 4.47Å
665	L	98.7	Very high	97.6	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.052	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-44.2	173.3	-74	166.5	0	0	0	112.6	I630 E661 H663 A668 F669 I695 I696 V699 L700	I630-L665 HydrophobicContact CD1-CD2 4.27Å; E661-L665 WeakPolarHBondContact O-CD1 3.48Å; E661-L665 WeakPolarHBondContact O-CG 3.37Å; E661-L665 PolarHBondContact O-N 3.47Å; H663-L665 PolarHBondContact O-N 2.85Å; L665-A668 PolarHBondContact O-N 3.37Å; L665-F669 HydrophobicContact CB-CD2 4.5Å; L665-F669 HydrophobicContact CD2-CD2 4.25Å; L665-F669 HydrophobicContact CD2-CE2 3.76Å; L665-F669 WeakPolarHBondContact O-CB 3.31Å; L665-F669 VanDerWaalsContact O-CD2 3.25Å; L665-F669 WeakPolarHBondContact O-CD2 3.28Å; L665-F669 PolarHBondContact O-N 2.9Å; L665-I695 HydrophobicContact CD2-CG2 4Å; L665-I696 HydrophobicContact CD1-CB 4.39Å; L665-I696 HydrophobicContact CD1-CG1 4.28Å; L665-I696 HydrophobicContact CD1-CG2 4.23Å; L665-I696 HydrophobicContact CD2-CG1 4.01Å; L665-V699 HydrophobicContact CD1-CB 4.1Å; L665-V699 HydrophobicContact CD1-CG1 4.25Å; L665-V699 HydrophobicContact CD2-CB 3.84Å; L665-V699 HydrophobicContact CD2-CG1 4.28Å; L665-V699 HydrophobicContact CD2-CG2 3.99Å; L665-V699 HydrophobicContact CG-CB 3.88Å; L665-V699 HydrophobicContact CG-CG1 3.85Å; L665-V699 HydrophobicContact CG-CG2 4.48Å; L665-L700 HydrophobicContact CD1-CD2 3.92Å; L665-L700 HydrophobicContact CD1-CG 3.83Å
666	A	98.4	Very high	97.4	Very high	45 Å²	45	38 Å²	38	37%	0.372	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-43.9	-179.7	0	0	0	0	0	112.4	Y654 N662 H663 H664 S670	Y654-A666 VanDerWaalsContact OH-CB 3.23Å; Y654-A666 WeakPolarHBondContact OH-CB 3.26Å; N662-A666 WeakPolarHBondContact O-CB 3.33Å; N662-A666 PolarHBondContact O-N 3.42Å; H663-A666 PolarHBondContact O-N 2.92Å; H663-A666 VanDerWaalsContact O-N 3.11Å; H664-A666 PolarHBondContact O-N 2.77Å; A666-S670 VanDerWaalsContact O-CB 3.32Å; A666-S670 WeakPolarHBondContact O-CB 3.44Å; A666-S670 PolarHBondContact O-N 2.96Å; A666-S670 VanDerWaalsContact O-N 3.1Å; A666-S670 PolarHBondContact O-OG 3.41Å
667	I	98.2	Very high	97.3	Very high	28 Å²	28	35.2 Å²	35.2	14%	0.144	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-57.1	173.8	-70.5	172.3	0	0	0	109.6	K584 V633 H663 H664 F669 S670 L671	K584-I667 HydrophobicContact CB-CG2 4.24Å; K584-I667 HydrophobicContact CG-CG2 4.24Å; V633-I667 HydrophobicContact CG1-CB 4.13Å; V633-I667 HydrophobicContact CG1-CG2 3.96Å; V633-I667 HydrophobicContact CG2-CG2 4.11Å; H663-I667 WeakPolarHBondContact NE2-CD1 3.42Å; H663-I667 PolarHBondContact O-N 2.71Å; H664-I667 PolarHBondContact O-N 2.86Å; I667-F669 VanDerWaalsContact C-N 3.34Å; I667-F669 PolarHBondContact O-N 2.84Å; I667-S670 WeakPolarHBondContact O-CB 3.38Å; I667-S670 PolarHBondContact O-N 3.39Å; I667-S670 PolarHBondContact O-OG 3.05Å; I667-L671 HydrophobicContact CG2-CD1 4.31Å; I667-L671 PolarHBondContact O-N 3.37Å; I667-L671 VanDerWaalsContact O-N 3.12Å
668	A	98.2	Very high	97.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56	-44.3	-174.4	0	0	0	0	0	113.5	Y577 I630 V633 H664 L665 L671	Y577-A668 PolarHBondContact OH-O 2.86Å; I630-A668 HydrophobicContact CB-CB 3.74Å; I630-A668 HydrophobicContact CD1-CB 3.38Å; I630-A668 HydrophobicContact CG1-CB 4.15Å; I630-A668 HydrophobicContact CG2-CB 3.86Å; V633-A668 HydrophobicContact CG1-CB 4.04Å; H664-A668 VanDerWaalsContact O-CB 3.3Å; H664-A668 WeakPolarHBondContact O-CB 3.49Å; H664-A668 PolarHBondContact O-N 3.33Å; L665-A668 PolarHBondContact O-N 3.37Å; A668-L671 PolarHBondContact O-N 3.23Å
669	F	98.2	Very high	97.3	Very high	37 Å²	37	32.9 Å²	32.9	16%	0.162	21%	0.211	C	C	.	.	H	α-helix	trans	-75.9	-23.1	178.1	-77.7	-69.8	0	0	0	113.5	L665 I667 L672 R692 I695 I696	L665-F669 HydrophobicContact CB-CD2 4.5Å; L665-F669 HydrophobicContact CD2-CD2 4.25Å; L665-F669 HydrophobicContact CD2-CE2 3.76Å; L665-F669 WeakPolarHBondContact O-CB 3.31Å; L665-F669 VanDerWaalsContact O-CD2 3.25Å; L665-F669 WeakPolarHBondContact O-CD2 3.28Å; L665-F669 PolarHBondContact O-N 2.9Å; I667-F669 VanDerWaalsContact C-N 3.34Å; I667-F669 PolarHBondContact O-N 2.84Å; F669-L672 HydrophobicContact CD1-CD1 3.64Å; F669-L672 HydrophobicContact CE1-CD1 4.14Å; F669-R692 HydrophobicContact CE1-CB 4.22Å; F669-R692 HydrophobicContact CE1-CG 3.97Å; F669-R692 HydrophobicContact CE2-CG 4.47Å; F669-R692 HydrophobicContact CZ-CB 4.24Å; F669-R692 HydrophobicContact CZ-CG 3.84Å; F669-I695 HydrophobicContact CE2-CG2 3.94Å; F669-I695 HydrophobicContact CZ-CB 4.08Å; F669-I695 HydrophobicContact CZ-CD1 4.38Å; F669-I695 HydrophobicContact CZ-CG2 3.78Å; F669-I696 HydrophobicContact CE2-CD1 4.43Å; F669-I696 HydrophobicContact CE2-CG1 3.94Å
670	S	97.7	Very high	97.2	Very high	71 Å²	71	33.1 Å²	33.1	50%	0.497	21%	0.212	S	C	.	.	H	α-helix	trans	-70.4	-35.4	172.3	77.3	0	0	0	0	112.4	A666 I667 L672 G673	A666-S670 VanDerWaalsContact O-CB 3.32Å; A666-S670 WeakPolarHBondContact O-CB 3.44Å; A666-S670 PolarHBondContact O-N 2.96Å; A666-S670 VanDerWaalsContact O-N 3.1Å; A666-S670 PolarHBondContact O-OG 3.41Å; I667-S670 WeakPolarHBondContact O-CB 3.38Å; I667-S670 PolarHBondContact O-N 3.39Å; I667-S670 PolarHBondContact O-OG 3.05Å; S670-L672 VanDerWaalsContact C-N 3.31Å; S670-L672 PolarHBondContact O-N 3.38Å; S670-G673 PolarHBondContact O-N 3.28Å
671	L	97.7	Very high	97	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-34.9	179	-67.7	176.3	0	0	0	112.4	Y577 A580 V581 K584 I667 A668 G673 Q674 H677	Y577-L671 HydrophobicContact CD2-CB 4.18Å; Y577-L671 HydrophobicContact CE2-CB 3.65Å; A580-L671 HydrophobicContact CB-CD2 4.38Å; V581-L671 HydrophobicContact CB-CD1 4.37Å; V581-L671 HydrophobicContact CG2-CD1 3.64Å; K584-L671 HydrophobicContact CG-CD1 4.26Å; K584-L671 HydrophobicContact CG-CD2 4.48Å; I667-L671 HydrophobicContact CG2-CD1 4.31Å; I667-L671 PolarHBondContact O-N 3.37Å; I667-L671 VanDerWaalsContact O-N 3.12Å; A668-L671 PolarHBondContact O-N 3.23Å; L671-G673 PolarHBondContact O-N 2.83Å; L671-G673 VanDerWaalsContact O-N 3.13Å; L671-Q674 WeakPolarHBondContact O-CB 3.34Å; L671-Q674 WeakPolarHBondContact O-CG 3.36Å; L671-Q674 PolarHBondContact O-N 3.42Å; L671-H677 WeakPolarHBondContact O-CB 3.34Å
672	L	96.9	Very high	96.9	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.058	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.3	174.6	-65.7	167.3	0	0	0	113.4	Y577 F626 F669 S670 Q674 V679 F680	Y577-L672 HydrophobicContact CD2-CD2 3.64Å; Y577-L672 HydrophobicContact CD2-CG 4.16Å; Y577-L672 HydrophobicContact CE2-CB 4.45Å; Y577-L672 HydrophobicContact CE2-CD2 3.45Å; Y577-L672 VanDerWaalsContact CE2-CD2 3.45Å; Y577-L672 HydrophobicContact CE2-CG 3.55Å; Y577-L672 HydrophobicContact CG-CD2 4.3Å; F626-L672 HydrophobicContact CZ-CD2 4.46Å; F669-L672 HydrophobicContact CD1-CD1 3.64Å; F669-L672 HydrophobicContact CE1-CD1 4.14Å; S670-L672 VanDerWaalsContact C-N 3.31Å; S670-L672 PolarHBondContact O-N 3.38Å; L672-Q674 VanDerWaalsContact C-N 3.29Å; L672-V679 HydrophobicContact CD2-CB 4.27Å; L672-V679 HydrophobicContact CD2-CG2 4.11Å; L672-F680 HydrophobicContact CD1-CD2 3.8Å; L672-F680 HydrophobicContact CD1-CE2 3.69Å; L672-F680 HydrophobicContact CD2-CD2 3.85Å; L672-F680 HydrophobicContact CD2-CE2 3.95Å; L672-F680 HydrophobicContact CG-CD2 4.49Å; L672-F680 HydrophobicContact CG-CE2 4.49Å
673	G	93.9	Very high	96.7	Very high	70 Å²	70	40 Å²	40	72%	0.722	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.8	175.9	0	0	0	0	0	114.2	S670 L671	S670-G673 PolarHBondContact O-N 3.28Å; L671-G673 PolarHBondContact O-N 2.83Å; L671-G673 VanDerWaalsContact O-N 3.13Å
674	Q	95.1	Very high	96.6	Very high	84 Å²	84	41.9 Å²	41.9	39%	0.393	26%	0.261	S	S	.	.	S	Bend	trans	-78.4	146.9	178.3	-60.8	-172.4	16	0	0	111.4	L671 L672 G676 H677	L671-Q674 WeakPolarHBondContact O-CB 3.34Å; L671-Q674 WeakPolarHBondContact O-CG 3.36Å; L671-Q674 PolarHBondContact O-N 3.42Å; L672-Q674 VanDerWaalsContact C-N 3.29Å; Q674-G676 PolarHBondContact O-N 3.31Å; Q674-H677 HydrophobicContact CB-CB 4.02Å; Q674-H677 WeakPolarHBondContact O-CB 3.3Å; Q674-H677 PolarHBondContact O-N 2.85Å
675	P	95.1	Very high	96.4	Very high	125 Å²	125	51.5 Å²	51.5	81%	0.812	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	124.1	-178.7	-26.5	35.2	0	0	0	112.4	H677	P675-H677 VanDerWaalsContact C-N 3.27Å; P675-H677 PolarHBondContact O-N 2.98Å; P675-H677 PolarHBondContact O-ND1 2.94Å
676	G	93.7	Very high	96.2	Very high	33 Å²	33	55 Å²	55	34%	0.34	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	12.9	-179.6	0	0	0	0	0	115.6	N573 L576 Q674	N573-G676 VanDerWaalsContact CA-O 3.24Å; N573-G676 WeakPolarHBondContact CA-O 3.48Å; N573-G676 WeakPolarHBondContact CB-O 3.42Å; N573-G676 PolarHBondContact OD1-O 2.97Å; L576-G676 WeakPolarHBondContact CD1-O 3.45Å; Q674-G676 PolarHBondContact O-N 3.31Å
677	H	96.3	Very high	96	Very high	25 Å²	25	55.6 Å²	55.6	12%	0.116	31%	0.307	C	S	.	.			trans	-103	-0.4	176.7	-66.4	64.9	0	0	0	113	Y577 L671 Q674 P675 V679	Y577-H677 HydrophobicContact CD2-CB 4.4Å; Y577-H677 WeakPolarHBondContact CD2-O 3.46Å; L671-H677 WeakPolarHBondContact O-CB 3.34Å; Q674-H677 HydrophobicContact CB-CB 4.02Å; Q674-H677 WeakPolarHBondContact O-CB 3.3Å; Q674-H677 PolarHBondContact O-N 2.85Å; P675-H677 VanDerWaalsContact C-N 3.27Å; P675-H677 PolarHBondContact O-N 2.98Å; P675-H677 PolarHBondContact O-ND1 2.94Å; H677-V679 PolarHBondContact O-N 3.21Å
678	D	97.2	Very high	95.9	Very high	34 Å²	34	58.2 Å²	58.2	18%	0.182	32%	0.315	C	S	.	.			trans	-77.9	97.5	-179.2	-165	-1.9	0	0	0	110.9	N573 F680 E681 R688	N573-D678 PolarHBondContact ND2-O 2.96Å; D678-F680 PolarHBondContact O-N 3.06Å; D678-F680 PolarHBondContact OD1-N 3.09Å; D678-F680 VanDerWaalsContact OD1-N 3.09Å; D678-E681 HydrophobicContact CB-CB 4.26Å; D678-E681 WeakPolarHBondContact O-CB 3.26Å; D678-E681 PolarHBondContact O-N 3.29Å; D678-R688 VanDerWaalsContact CG-NH1 3.26Å; D678-R688 IonicContact OD1-CZ 3.29Å; D678-R688 IonicContact OD1-NH1 2.61Å; D678-R688 PolarHBondContact OD1-NH1 2.94Å; D678-R688 IonicContact OD1-NH2 2.73Å; D678-R688 PolarHBondContact OD1-NH2 3.47Å; D678-R688 IonicContact OD2-CZ 3.9Å; D678-R688 IonicContact OD2-NH1 2.87Å; D678-R688 PolarHBondContact OD2-NH1 2.77Å; D678-R688 IonicContact OD2-NH2 2.73Å; D678-R688 PolarHBondContact OD2-NH2 2.76Å
679	V	96.4	Very high	95.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.8	175.9	-170.6	0	0	0	0	111.6	I569 L574 Y577 F622 F626 L672 H677	I569-V679 HydrophobicContact CG2-CG1 3.75Å; L574-V679 HydrophobicContact CD1-CG1 3.76Å; L574-V679 HydrophobicContact CD1-CG2 4.15Å; Y577-V679 VanDerWaalsContact CB-CG2 3.41Å; Y577-V679 HydrophobicContact CD1-CG2 3.63Å; Y577-V679 HydrophobicContact CD2-CG2 4.21Å; Y577-V679 HydrophobicContact CE1-CG2 4.49Å; Y577-V679 HydrophobicContact CG-CG2 3.46Å; Y577-V679 VanDerWaalsContact CG-CG2 3.46Å; F622-V679 HydrophobicContact CZ-CG1 3.83Å; F626-V679 HydrophobicContact CE2-CG2 4.46Å; L672-V679 HydrophobicContact CD2-CB 4.27Å; L672-V679 HydrophobicContact CD2-CG2 4.11Å; H677-V679 PolarHBondContact O-N 3.21Å
680	F	96.2	Very high	95.7	Very high	6 Å²	6	61.3 Å²	61.3	3%	0.026	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	16.7	-178	-51.5	-84.8	0	0	0	112.8	F622 F626 L672 D678 N682 F683 R688 I695	F622-F680 HydrophobicContact CD1-CE1 4.36Å; F622-F680 HydrophobicContact CE1-CD1 4.35Å; F622-F680 AromaticContact CE1-CE1 3.72Å; F622-F680 HydrophobicContact CE1-CE1 3.72Å; F622-F680 HydrophobicContact CE1-CZ 4.31Å; F626-F680 HydrophobicContact CD1-CZ 4.27Å; F626-F680 HydrophobicContact CD2-CE2 4.47Å; F626-F680 AromaticContact CD2-CZ 3.96Å; F626-F680 HydrophobicContact CD2-CZ 3.96Å; F626-F680 HydrophobicContact CE1-CE2 4.17Å; F626-F680 HydrophobicContact CE1-CZ 4.06Å; F626-F680 AromaticContact CE2-CE2 3.78Å; F626-F680 HydrophobicContact CE2-CE2 3.78Å; F626-F680 AromaticContact CE2-CZ 3.73Å; F626-F680 HydrophobicContact CE2-CZ 3.73Å; F626-F680 HydrophobicContact CG-CZ 4.22Å; F626-F680 AromaticContact CZ-CE2 3.59Å; F626-F680 HydrophobicContact CZ-CE2 3.59Å; F626-F680 AromaticContact CZ-CZ 3.77Å; F626-F680 HydrophobicContact CZ-CZ 3.77Å; L672-F680 HydrophobicContact CD1-CD2 3.8Å; L672-F680 HydrophobicContact CD1-CE2 3.69Å; L672-F680 HydrophobicContact CD2-CD2 3.85Å; L672-F680 HydrophobicContact CD2-CE2 3.95Å; L672-F680 HydrophobicContact CG-CD2 4.49Å; L672-F680 HydrophobicContact CG-CE2 4.49Å; D678-F680 PolarHBondContact O-N 3.06Å; D678-F680 PolarHBondContact OD1-N 3.09Å; D678-F680 VanDerWaalsContact OD1-N 3.09Å; F680-N682 VanDerWaalsContact C-N 3.32Å; F680-N682 PolarHBondContact O-N 3.32Å; F680-F683 HydrophobicContact CB-CB 4.34Å; F680-F683 HydrophobicContact CB-CD1 4.24Å; F680-F683 HydrophobicContact CB-CG 4.16Å; F680-F683 HydrophobicContact CD1-CD1 4.37Å; F680-F683 AromaticContact CD1-CD2 3.83Å; F680-F683 HydrophobicContact CD1-CD2 3.83Å; F680-F683 HydrophobicContact CD1-CE1 4.23Å; F680-F683 AromaticContact CD1-CE2 3.69Å; F680-F683 HydrophobicContact CD1-CE2 3.69Å; F680-F683 HydrophobicContact CD1-CG 4.18Å; F680-F683 AromaticContact CD1-CZ 3.91Å; F680-F683 HydrophobicContact CD1-CZ 3.91Å; F680-F683 HydrophobicContact CE1-CE2 4.21Å; F680-F683 HydrophobicContact CE1-CZ 4.43Å; F680-F683 WeakPolarHBondContact O-CB 3.3Å; F680-F683 PolarHBondContact O-N 2.75Å; F680-F683 VanDerWaalsContact O-N 3.13Å; F680-R688 HydrophobicContact CB-CG 4.12Å; F680-R688 PolarHBondContact O-NH1 2.87Å; F680-I695 HydrophobicContact CE1-CD1 4.44Å; F680-I695 HydrophobicContact CZ-CD1 3.83Å
681	E	95	Very high	95.6	Very high	113 Å²	113	58 Å²	58	53%	0.528	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-46.4	-176.7	-177.6	173	-170.8	0	0	112.2	N573 D678 F683	N573-E681 PolarHBondContact ND2-OE2 2.92Å; D678-E681 HydrophobicContact CB-CB 4.26Å; D678-E681 WeakPolarHBondContact O-CB 3.26Å; D678-E681 PolarHBondContact O-N 3.29Å; E681-F683 VanDerWaalsContact C-N 3.34Å; E681-F683 PolarHBondContact O-N 3.49Å
682	N	95.9	Very high	95.6	Very high	89 Å²	89	63.2 Å²	63.2	48%	0.476	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	2	-178.2	-68.3	-35.3	0	0	0	114.3	A568 F680	A568-N682 HydrophobicContact CB-CB 4.42Å; A568-N682 PolarHBondContact O-ND2 2.88Å; F680-N682 VanDerWaalsContact C-N 3.32Å; F680-N682 PolarHBondContact O-N 3.32Å
683	F	95.8	Very high	95.6	Very high	14 Å²	14	65.7 Å²	65.7	6%	0.061	34%	0.338	C	S	.	.	S	Bend	trans	-78.3	128.8	-177.3	-78.6	47.3	0	0	0	110.5	F567 I569 L619 F622 F680 E681 R685 Q687 R688	F567-F683 HydrophobicContact CB-CE1 3.64Å; F567-F683 HydrophobicContact CB-CZ 3.73Å; F567-F683 HydrophobicContact CD1-CE1 4.37Å; F567-F683 HydrophobicContact CD1-CE2 4.11Å; F567-F683 AromaticContact CD1-CZ 3.9Å; F567-F683 HydrophobicContact CD1-CZ 3.9Å; F567-F683 HydrophobicContact CD2-CZ 4.42Å; F567-F683 HydrophobicContact CG-CE1 4.16Å; F567-F683 HydrophobicContact CG-CE2 4.39Å; F567-F683 AromaticContact CG-CZ 3.75Å; F567-F683 HydrophobicContact CG-CZ 3.75Å; I569-F683 HydrophobicContact CD1-CE1 4.36Å; I569-F683 HydrophobicContact CD1-CZ 4.45Å; I569-F683 HydrophobicContact CG1-CE1 3.9Å; I569-F683 HydrophobicContact CG1-CZ 4.47Å; L619-F683 HydrophobicContact CD1-CD2 4.15Å; L619-F683 HydrophobicContact CD1-CE2 3.68Å; F622-F683 HydrophobicContact CD1-CE2 4.32Å; F622-F683 AromaticContact CD1-CZ 3.92Å; F622-F683 HydrophobicContact CD1-CZ 3.92Å; F622-F683 HydrophobicContact CE1-CE2 4.47Å; F622-F683 AromaticContact CE1-CZ 3.85Å; F622-F683 HydrophobicContact CE1-CZ 3.85Å; F680-F683 HydrophobicContact CB-CB 4.34Å; F680-F683 HydrophobicContact CB-CD1 4.24Å; F680-F683 HydrophobicContact CB-CG 4.16Å; F680-F683 HydrophobicContact CD1-CD1 4.37Å; F680-F683 AromaticContact CD1-CD2 3.83Å; F680-F683 HydrophobicContact CD1-CD2 3.83Å; F680-F683 HydrophobicContact CD1-CE1 4.23Å; F680-F683 AromaticContact CD1-CE2 3.69Å; F680-F683 HydrophobicContact CD1-CE2 3.69Å; F680-F683 HydrophobicContact CD1-CG 4.18Å; F680-F683 AromaticContact CD1-CZ 3.91Å; F680-F683 HydrophobicContact CD1-CZ 3.91Å; F680-F683 HydrophobicContact CE1-CE2 4.21Å; F680-F683 HydrophobicContact CE1-CZ 4.43Å; F680-F683 WeakPolarHBondContact O-CB 3.3Å; F680-F683 PolarHBondContact O-N 2.75Å; F680-F683 VanDerWaalsContact O-N 3.13Å; E681-F683 VanDerWaalsContact C-N 3.34Å; E681-F683 PolarHBondContact O-N 3.49Å; F683-R685 PolarHBondContact O-N 3.23Å; F683-Q687 HydrophobicContact CD2-CB 4.2Å; F683-R688 HydrophobicContact CB-CB 4.13Å
684	P	96	Very high	95.8	Very high	78 Å²	78	62.4 Å²	62.4	51%	0.506	30%	0.304	S	S	.	.			trans	-51	139.5	168.2	-26.3	33.7	0	0	0	111.5	K686 Q687 R688	P684-K686 CarbonylContact O-C 3.55Å; P684-K686 PolarHBondContact O-N 2.94Å; P684-Q687 WeakPolarHBondContact O-CA 3.38Å; P684-Q687 PolarHBondContact O-N 3.33Å; P684-R688 PolarHBondContact O-N 3.5Å
685	R	94.9	Very high	96	Very high	205 Å²	205	58.4 Å²	58.4	77%	0.774	29%	0.285	S	S	*	.	H	α-helix	trans	-46.6	-38.3	-174.8	-175.6	177.3	-178.3	-91.5	-0.6	114	F683 L689	F683-R685 PolarHBondContact O-N 3.23Å; R685-L689 HydrophobicContact CG-CD1 4.06Å; R685-L689 WeakPolarHBondContact O-CB 3.39Å; R685-L689 VanDerWaalsContact O-CG 3.25Å; R685-L689 WeakPolarHBondContact O-CG 3.4Å; R685-L689 PolarHBondContact O-N 3.23Å
686	K	93.1	Very high	96.1	Very high	82 Å²	82	54.6 Å²	54.6	36%	0.357	26%	0.258	S	S	.	.	H	α-helix	trans	-64.7	-47.9	176	-177.7	-175.4	170.4	-164.9	0	112.3	P316 P684 L689 S690	P316-K686 VanDerWaalsContact C-NZ 3.26Å; P316-K686 PolarHBondContact O-NZ 2.81Å; P684-K686 CarbonylContact O-C 3.55Å; P684-K686 PolarHBondContact O-N 2.94Å; K686-L689 PolarHBondContact O-N 2.83Å; K686-S690 WeakPolarHBondContact O-CB 3.35Å; K686-S690 PolarHBondContact O-N 3.46Å
687	Q	95.2	Very high	96.3	Very high	58 Å²	58	54.8 Å²	54.8	27%	0.271	25%	0.251	S	S	.	.	H	α-helix	trans	-65.7	-40.3	176.9	-72.3	-175.1	-14.5	0	0	111.6	L619 F683 P684 L689 S690 S691	L619-Q687 HydrophobicContact CD1-CB 4.27Å; L619-Q687 HydrophobicContact CD2-CB 4.22Å; L619-Q687 HydrophobicContact CD2-CG 4.15Å; F683-Q687 HydrophobicContact CD2-CB 4.2Å; P684-Q687 WeakPolarHBondContact O-CA 3.38Å; P684-Q687 PolarHBondContact O-N 3.33Å; Q687-L689 PolarHBondContact O-N 3.26Å; Q687-S690 PolarHBondContact O-N 3.14Å; Q687-S691 VanDerWaalsContact O-CB 3.3Å; Q687-S691 WeakPolarHBondContact O-CB 3.25Å; Q687-S691 PolarHBondContact O-N 3.02Å; Q687-S691 PolarHBondContact O-OG 3.06Å
688	R	96.6	Very high	96.4	Very high	84 Å²	84	53.6 Å²	53.6	32%	0.317	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-43.9	175.6	-170.6	-178.4	-174	116.3	-0.7	112.5	D678 F680 F683 P684 R692	D678-R688 VanDerWaalsContact CG-NH1 3.26Å; D678-R688 IonicContact OD1-CZ 3.29Å; D678-R688 IonicContact OD1-NH1 2.61Å; D678-R688 PolarHBondContact OD1-NH1 2.94Å; D678-R688 IonicContact OD1-NH2 2.73Å; D678-R688 PolarHBondContact OD1-NH2 3.47Å; D678-R688 IonicContact OD2-CZ 3.9Å; D678-R688 IonicContact OD2-NH1 2.87Å; D678-R688 PolarHBondContact OD2-NH1 2.77Å; D678-R688 IonicContact OD2-NH2 2.73Å; D678-R688 PolarHBondContact OD2-NH2 2.76Å; F680-R688 HydrophobicContact CB-CG 4.12Å; F680-R688 PolarHBondContact O-NH1 2.87Å; F683-R688 HydrophobicContact CB-CB 4.13Å; P684-R688 PolarHBondContact O-N 3.5Å; R688-R692 WeakPolarHBondContact O-CB 3.43Å; R688-R692 PolarHBondContact O-N 3.35Å
689	L	95.3	Very high	96.5	Very high	92 Å²	92	52 Å²	52	48%	0.482	24%	0.237	S	C	.	.	H	α-helix	trans	-68.2	-41.6	177.4	-72.1	171.9	0	0	0	112.4	R685 K686 Q687 R692 R693	R685-L689 HydrophobicContact CG-CD1 4.06Å; R685-L689 WeakPolarHBondContact O-CB 3.39Å; R685-L689 VanDerWaalsContact O-CG 3.25Å; R685-L689 WeakPolarHBondContact O-CG 3.4Å; R685-L689 PolarHBondContact O-N 3.23Å; K686-L689 PolarHBondContact O-N 2.83Å; Q687-L689 PolarHBondContact O-N 3.26Å; L689-R692 PolarHBondContact O-N 3.06Å; L689-R693 PolarHBondContact O-N 3.03Å
690	S	95	Very high	96.6	Very high	9 Å²	9	54.4 Å²	54.4	6%	0.063	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-48.4	173.4	174.9	0	0	0	0	111	L317 K686 Q687 R692 R693 M694	L317-S690 WeakPolarHBondContact CD1-OG 3.48Å; K686-S690 WeakPolarHBondContact O-CB 3.35Å; K686-S690 PolarHBondContact O-N 3.46Å; Q687-S690 PolarHBondContact O-N 3.14Å; S690-R692 VanDerWaalsContact C-N 3.35Å; S690-R692 PolarHBondContact O-N 3.15Å; S690-R693 WeakPolarHBondContact O-CB 3.47Å; S690-R693 PolarHBondContact O-N 3.28Å; S690-M694 WeakPolarHBondContact O-CG 3.45Å; S690-M694 PolarHBondContact O-N 2.76Å
691	S	97.2	Very high	96.6	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.007	25%	0.25	C	S	.	.	H	α-helix	trans	-54.4	-49	175.7	-57	0	0	0	0	112	L619 Q687 R693 M694 I695	L619-S691 WeakPolarHBondContact CD1-OG 3.35Å; Q687-S691 VanDerWaalsContact O-CB 3.3Å; Q687-S691 WeakPolarHBondContact O-CB 3.25Å; Q687-S691 PolarHBondContact O-N 3.02Å; Q687-S691 PolarHBondContact O-OG 3.06Å; S691-R693 VanDerWaalsContact C-N 3.33Å; S691-R693 PolarHBondContact O-N 3.24Å; S691-M694 PolarHBondContact O-N 3.15Å; S691-I695 WeakPolarHBondContact O-CB 3.34Å; S691-I695 WeakPolarHBondContact O-CD1 3.47Å; S691-I695 VanDerWaalsContact O-CG1 3.24Å; S691-I695 WeakPolarHBondContact O-CG1 3.18Å; S691-I695 PolarHBondContact O-N 3.29Å
692	R	97.7	Very high	96.8	Very high	115 Å²	115	49.4 Å²	49.4	43%	0.434	23%	0.228	S	C	.	.	H	α-helix	trans	-58.9	-42.7	176.7	176.1	173.4	177.9	78.5	1.9	112.1	F669 R688 L689 S690 I696	F669-R692 HydrophobicContact CE1-CB 4.22Å; F669-R692 HydrophobicContact CE1-CG 3.97Å; F669-R692 HydrophobicContact CE2-CG 4.47Å; F669-R692 HydrophobicContact CZ-CB 4.24Å; F669-R692 HydrophobicContact CZ-CG 3.84Å; R688-R692 WeakPolarHBondContact O-CB 3.43Å; R688-R692 PolarHBondContact O-N 3.35Å; L689-R692 PolarHBondContact O-N 3.06Å; S690-R692 VanDerWaalsContact C-N 3.35Å; S690-R692 PolarHBondContact O-N 3.15Å; R692-I696 HydrophobicContact CG-CD1 3.77Å; R692-I696 WeakPolarHBondContact O-CD1 3.45Å; R692-I696 VanDerWaalsContact O-CG1 3.24Å; R692-I696 WeakPolarHBondContact O-CG1 3.4Å; R692-I696 PolarHBondContact O-N 3.31Å; R692-I696 VanDerWaalsContact O-N 3.11Å
693	R	96.5	Very high	96.9	Very high	62 Å²	62	45.5 Å²	45.5	23%	0.234	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-50.9	177.3	178.3	-178.9	175	-179.4	-3.3	110.9	K312 L689 S690 S691 I695 I696 D697 Y734	K312-R693 PolarHBondContact O-NH1 3.2Å; K312-R693 PolarHBondContact O-NH2 2.92Å; L689-R693 PolarHBondContact O-N 3.03Å; S690-R693 WeakPolarHBondContact O-CB 3.47Å; S690-R693 PolarHBondContact O-N 3.28Å; S691-R693 VanDerWaalsContact C-N 3.33Å; S691-R693 PolarHBondContact O-N 3.24Å; R693-I695 PolarHBondContact O-N 2.81Å; R693-I696 PolarHBondContact O-N 3.14Å; R693-D697 WeakPolarHBondContact CG-OD2 3.37Å; R693-D697 IonicContact NE-OD2 3.75Å; R693-D697 WeakPolarHBondContact O-CB 3.31Å; R693-D697 PolarHBondContact O-N 3.36Å; R693-Y734 PolarHBondContact NE-OH 2.9Å
694	M	98	Very high	96.9	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-45.5	-179.4	-65.2	-167.2	-67.4	0	0	111.8	L619 E620 T623 S690 S691 I696 D697 M698 Y734 M738	L619-M694 HydrophobicContact CD2-CE 4.05Å; L619-M694 HydrophobicContact CG-CE 4.01Å; E620-M694 HydrophobicContact CG-CE 4.14Å; E620-M694 HydrophobicContact CG-SD 3.62Å; T623-M694 HydrophobicContact CG2-CE 3.99Å; T623-M694 WeakPolarHBondContact OG1-CE 3.48Å; S690-M694 WeakPolarHBondContact O-CG 3.45Å; S690-M694 PolarHBondContact O-N 2.76Å; S691-M694 PolarHBondContact O-N 3.15Å; M694-I696 PolarHBondContact O-N 3.42Å; M694-D697 PolarHBondContact O-N 2.85Å; M694-M698 HydrophobicContact CB-CE 4.01Å; M694-M698 WeakPolarHBondContact O-CB 3.29Å; M694-M698 VanDerWaalsContact O-CE 3.28Å; M694-M698 WeakPolarHBondContact O-CE 3.45Å; M694-M698 WeakPolarHBondContact O-CG 3.43Å; M694-M698 PolarHBondContact O-N 3.03Å; M694-Y734 HydrophobicContact CG-CE2 3.93Å; M694-Y734 HydrophobicContact SD-CE2 4.08Å; M694-M738 HydrophobicContact CB-CE 3.67Å; M694-M738 HydrophobicContact CG-CE 3.51Å; M694-M738 HydrophobicContact SD-CE 4.17Å
695	I	98.6	Very high	96.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-42.9	177.5	-68.6	160.5	0	0	0	111.7	T623 F626 A627 I630 L665 F669 F680 S691 R693 M698 V699	T623-I695 HydrophobicContact CG2-CD1 4.33Å; T623-I695 HydrophobicContact CG2-CG1 4.44Å; F626-I695 HydrophobicContact CB-CD1 4.47Å; F626-I695 HydrophobicContact CD1-CD1 3.5Å; F626-I695 HydrophobicContact CD1-CG1 4.13Å; F626-I695 HydrophobicContact CD1-CG2 4.39Å; F626-I695 HydrophobicContact CE1-CD1 3.96Å; F626-I695 HydrophobicContact CG-CD1 4.16Å; A627-I695 HydrophobicContact CB-CG2 4.41Å; I630-I695 HydrophobicContact CD1-CG2 3.72Å; L665-I695 HydrophobicContact CD2-CG2 4Å; F669-I695 HydrophobicContact CE2-CG2 3.94Å; F669-I695 HydrophobicContact CZ-CB 4.08Å; F669-I695 HydrophobicContact CZ-CD1 4.38Å; F669-I695 HydrophobicContact CZ-CG2 3.78Å; F680-I695 HydrophobicContact CE1-CD1 4.44Å; F680-I695 HydrophobicContact CZ-CD1 3.83Å; S691-I695 WeakPolarHBondContact O-CB 3.34Å; S691-I695 WeakPolarHBondContact O-CD1 3.47Å; S691-I695 VanDerWaalsContact O-CG1 3.24Å; S691-I695 WeakPolarHBondContact O-CG1 3.18Å; S691-I695 PolarHBondContact O-N 3.29Å; R693-I695 PolarHBondContact O-N 2.81Å; I695-M698 PolarHBondContact O-N 3.38Å; I695-V699 HydrophobicContact CG2-CG2 4.49Å; I695-V699 WeakPolarHBondContact O-CG2 3.38Å; I695-V699 PolarHBondContact O-N 3.08Å
696	I	98.3	Very high	96.7	Very high	45 Å²	45	43 Å²	43	23%	0.231	21%	0.207	C	C	.	.	H	α-helix	trans	-65.5	-47.6	176.2	-69	165.8	0	0	0	111	L665 F669 R692 R693 M694 M698 L700	L665-I696 HydrophobicContact CD1-CB 4.39Å; L665-I696 HydrophobicContact CD1-CG1 4.28Å; L665-I696 HydrophobicContact CD1-CG2 4.23Å; L665-I696 HydrophobicContact CD2-CG1 4.01Å; F669-I696 HydrophobicContact CE2-CD1 4.43Å; F669-I696 HydrophobicContact CE2-CG1 3.94Å; R692-I696 HydrophobicContact CG-CD1 3.77Å; R692-I696 WeakPolarHBondContact O-CD1 3.45Å; R692-I696 VanDerWaalsContact O-CG1 3.24Å; R692-I696 WeakPolarHBondContact O-CG1 3.4Å; R692-I696 PolarHBondContact O-N 3.31Å; R692-I696 VanDerWaalsContact O-N 3.11Å; R693-I696 PolarHBondContact O-N 3.14Å; M694-I696 PolarHBondContact O-N 3.42Å; I696-M698 PolarHBondContact O-N 3.48Å; I696-L700 HydrophobicContact CG2-CD1 3.73Å; I696-L700 HydrophobicContact CG2-CG 4.31Å; I696-L700 WeakPolarHBondContact O-CB 3.31Å; I696-L700 WeakPolarHBondContact O-CG 3.41Å; I696-L700 PolarHBondContact O-N 2.93Å; I696-L700 VanDerWaalsContact O-N 3.08Å
697	D	97.3	Very high	96.8	Very high	36 Å²	36	39.4 Å²	39.4	19%	0.193	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-32.5	179.9	-72.8	-25.7	0	0	0	111	R693 M694 Y734 M738 Q742	R693-D697 WeakPolarHBondContact CG-OD2 3.37Å; R693-D697 IonicContact NE-OD2 3.75Å; R693-D697 WeakPolarHBondContact O-CB 3.31Å; R693-D697 PolarHBondContact O-N 3.36Å; M694-D697 PolarHBondContact O-N 2.85Å; D697-Y734 PolarHBondContact OD2-OH 3.3Å; D697-M738 HydrophobicContact CB-CG 4.36Å; D697-M738 HydrophobicContact CB-SD 3.89Å; D697-Q742 PolarHBondContact O-NE2 2.94Å
698	M	98.6	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-79.7	-47	177.2	-72.3	-178.1	-70.4	0	0	114.5	T623 V624 A627 M694 I695 I696 A701 M738 L741 Q742 V745	T623-M698 WeakPolarHBondContact O-CE 3.17Å; V624-M698 HydrophobicContact CB-CE 4.17Å; V624-M698 HydrophobicContact CB-SD 3.73Å; V624-M698 HydrophobicContact CG2-SD 3.64Å; A627-M698 HydrophobicContact CB-CB 4.05Å; A627-M698 HydrophobicContact CB-CE 3.98Å; M694-M698 HydrophobicContact CB-CE 4.01Å; M694-M698 WeakPolarHBondContact O-CB 3.29Å; M694-M698 VanDerWaalsContact O-CE 3.28Å; M694-M698 WeakPolarHBondContact O-CE 3.45Å; M694-M698 WeakPolarHBondContact O-CG 3.43Å; M694-M698 PolarHBondContact O-N 3.03Å; I695-M698 PolarHBondContact O-N 3.38Å; I696-M698 PolarHBondContact O-N 3.48Å; M698-A701 VanDerWaalsContact O-CB 3.29Å; M698-A701 WeakPolarHBondContact O-CB 3.47Å; M698-A701 PolarHBondContact O-N 3.17Å; M698-M738 HydrophobicContact CG-SD 3.89Å; M698-L741 HydrophobicContact CG-CB 4.38Å; M698-L741 HydrophobicContact SD-CB 3.77Å; M698-L741 HydrophobicContact SD-CD1 4.49Å; M698-Q742 HydrophobicContact CG-CG 4.29Å; M698-V745 HydrophobicContact CB-CG2 4.48Å; M698-V745 HydrophobicContact SD-CG2 4.29Å
699	V	98.7	Very high	96.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-69.8	-34.3	-179.7	177.9	0	0	0	0	111.4	A627 I630 H631 H664 L665 I695 A701 T702	A627-V699 HydrophobicContact CB-CG2 4.03Å; I630-V699 HydrophobicContact CD1-CG2 4.3Å; I630-V699 HydrophobicContact CG1-CG2 4.21Å; H631-V699 HydrophobicContact CB-CG1 4.35Å; H631-V699 HydrophobicContact CB-CG2 4.31Å; H664-V699 HydrophobicContact CB-CG1 4.47Å; L665-V699 HydrophobicContact CD1-CB 4.1Å; L665-V699 HydrophobicContact CD1-CG1 4.25Å; L665-V699 HydrophobicContact CD2-CB 3.84Å; L665-V699 HydrophobicContact CD2-CG1 4.28Å; L665-V699 HydrophobicContact CD2-CG2 3.99Å; L665-V699 HydrophobicContact CG-CB 3.88Å; L665-V699 HydrophobicContact CG-CG1 3.85Å; L665-V699 HydrophobicContact CG-CG2 4.48Å; I695-V699 HydrophobicContact CG2-CG2 4.49Å; I695-V699 WeakPolarHBondContact O-CG2 3.38Å; I695-V699 PolarHBondContact O-N 3.08Å; V699-A701 PolarHBondContact O-N 3.3Å; V699-A701 VanDerWaalsContact O-N 3.13Å; V699-T702 PolarHBondContact O-N 2.79Å; V699-T702 VanDerWaalsContact O-N 3.16Å; V699-T702 PolarHBondContact O-OG1 3.43Å
700	L	98.3	Very high	96.3	Very high	51 Å²	51	36.2 Å²	36.2	27%	0.267	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-10.1	172.1	-66.8	179	0	0	0	113.6	E661 L665 I696	E661-L700 HydrophobicContact CB-CD2 4Å; L665-L700 HydrophobicContact CD1-CD2 3.92Å; L665-L700 HydrophobicContact CD1-CG 3.83Å; I696-L700 HydrophobicContact CG2-CD1 3.73Å; I696-L700 HydrophobicContact CG2-CG 4.31Å; I696-L700 WeakPolarHBondContact O-CB 3.31Å; I696-L700 WeakPolarHBondContact O-CG 3.41Å; I696-L700 PolarHBondContact O-N 2.93Å; I696-L700 VanDerWaalsContact O-N 3.08Å
701	A	97.6	Very high	96.2	Very high	5 Å²	5	36.3 Å²	36.3	4%	0.041	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-15.7	174.6	0	0	0	0	0	113.3	M698 V699 D703 L710 Q742	M698-A701 VanDerWaalsContact O-CB 3.29Å; M698-A701 WeakPolarHBondContact O-CB 3.47Å; M698-A701 PolarHBondContact O-N 3.17Å; V699-A701 PolarHBondContact O-N 3.3Å; V699-A701 VanDerWaalsContact O-N 3.13Å; A701-D703 PolarHBondContact O-N 3.39Å; A701-L710 HydrophobicContact CB-CD1 4.12Å; A701-L710 HydrophobicContact CB-CD2 4.2Å; A701-L710 VanDerWaalsContact O-CD1 3.26Å; A701-L710 WeakPolarHBondContact O-CD1 3.44Å; A701-Q742 HydrophobicContact CB-CB 3.88Å; A701-Q742 HydrophobicContact CB-CG 3.85Å
702	T	98.3	Very high	95.8	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.055	21%	0.205	C	C	.	.			trans	-77.3	-5.5	174.6	65.5	0	0	0	0	112.9	H631 V699 M704 V745	H631-T702 HydrophobicContact CB-CG2 4.41Å; V699-T702 PolarHBondContact O-N 2.79Å; V699-T702 VanDerWaalsContact O-N 3.16Å; V699-T702 PolarHBondContact O-OG1 3.43Å; T702-M704 WeakPolarHBondContact O-CE 3.41Å; T702-M704 PolarHBondContact O-N 3.16Å; T702-V745 HydrophobicContact CG2-CG1 3.69Å
703	D	97.9	Very high	95.4	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.043	20%	0.198	C	C	.	.			trans	-61.1	111.1	167.7	175.4	-13.2	0	0	0	109.8	S658 E661 A701 S705 K706	S658-D703 WeakPolarHBondContact CB-OD2 3.49Å; S658-D703 PolarHBondContact OG-OD2 2.94Å; E661-D703 HydrophobicContact CG-CB 3.87Å; E661-D703 WeakPolarHBondContact OE1-CA 3.31Å; A701-D703 PolarHBondContact O-N 3.39Å; D703-S705 PolarHBondContact O-N 2.79Å; D703-S705 VanDerWaalsContact OD1-CB 3.25Å; D703-S705 WeakPolarHBondContact OD1-CB 3.38Å; D703-S705 PolarHBondContact OD1-N 3.13Å; D703-S705 PolarHBondContact OD1-OG 3.46Å; D703-S705 PolarHBondContact OD2-OG 3.08Å; D703-S705 VanDerWaalsContact OD2-OG 3.07Å; D703-K706 HydrophobicContact CB-CG 3.93Å; D703-K706 WeakPolarHBondContact O-CA 3.2Å; D703-K706 VanDerWaalsContact O-CB 3.25Å; D703-K706 WeakPolarHBondContact O-CB 3.45Å; D703-K706 WeakPolarHBondContact O-CG 3.25Å; D703-K706 PolarHBondContact O-N 3.05Å; D703-K706 IonicContact OD1-NZ 3.3Å; D703-K706 IonicContact OD2-NZ 3.15Å; D703-K706 PolarHBondContact OD2-NZ 3.21Å
704	M	95	Very high	95	Very high	83 Å²	83	32.6 Å²	32.6	41%	0.409	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-57.5	-23	-176.5	-69.7	-64.3	123.4	0	0	114.3	T702 K706 H707 H746 D749 L750	T702-M704 WeakPolarHBondContact O-CE 3.41Å; T702-M704 PolarHBondContact O-N 3.16Å; M704-K706 PolarHBondContact O-N 3.34Å; M704-H707 VanDerWaalsContact O-CB 3.31Å; M704-H707 WeakPolarHBondContact O-CB 3.26Å; M704-H707 PolarHBondContact O-N 3.04Å; M704-H746 VanDerWaalsContact CE-CE1 3.47Å; M704-H746 WeakPolarHBondContact CE-CE1 2.99Å; M704-D749 VanDerWaalsContact CE-OD2 3.31Å; M704-D749 WeakPolarHBondContact CE-OD2 3.36Å; M704-L750 HydrophobicContact CE-CD1 4.19Å; M704-L750 HydrophobicContact CE-CD2 3.91Å; M704-L750 HydrophobicContact CE-CG 4.09Å; M704-L750 HydrophobicContact SD-CD1 4.01Å; M704-L750 HydrophobicContact SD-CD2 3.85Å; M704-L750 HydrophobicContact SD-CG 4.32Å
705	S	93.7	Very high	94.6	Very high	87 Å²	87	36.5 Å²	36.5	61%	0.608	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-65.4	-16.4	172.2	71.9	0	0	0	0	113.3	D703	D703-S705 PolarHBondContact O-N 2.79Å; D703-S705 VanDerWaalsContact OD1-CB 3.25Å; D703-S705 WeakPolarHBondContact OD1-CB 3.38Å; D703-S705 PolarHBondContact OD1-N 3.13Å; D703-S705 PolarHBondContact OD1-OG 3.46Å; D703-S705 PolarHBondContact OD2-OG 3.08Å; D703-S705 VanDerWaalsContact OD2-OG 3.07Å
706	K	93	Very high	93.9	Very high	75 Å²	75	40.4 Å²	40.4	33%	0.326	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-90.9	-9.3	178.3	-50.6	-58.6	179.3	-71.9	0	113.3	S658 D703 M704 M708 S709 L710	S658-K706 PolarHBondContact OG-NZ 3.23Å; D703-K706 HydrophobicContact CB-CG 3.93Å; D703-K706 WeakPolarHBondContact O-CA 3.2Å; D703-K706 VanDerWaalsContact O-CB 3.25Å; D703-K706 WeakPolarHBondContact O-CB 3.45Å; D703-K706 WeakPolarHBondContact O-CG 3.25Å; D703-K706 PolarHBondContact O-N 3.05Å; D703-K706 IonicContact OD1-NZ 3.3Å; D703-K706 IonicContact OD2-NZ 3.15Å; D703-K706 PolarHBondContact OD2-NZ 3.21Å; M704-K706 PolarHBondContact O-N 3.34Å; K706-M708 VanDerWaalsContact C-N 3.3Å; K706-M708 PolarHBondContact O-N 2.85Å; K706-M708 VanDerWaalsContact O-N 3.14Å; K706-S709 WeakPolarHBondContact O-CB 3.26Å; K706-S709 PolarHBondContact O-N 3.08Å; K706-L710 PolarHBondContact O-N 3.14Å; K706-L710 VanDerWaalsContact O-N 3.13Å
707	H	95.5	Very high	93.2	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-47.1	-48.1	-175.6	177.2	108	0	0	0	113	M704 S709 L710 L711 H746 I807	M704-H707 VanDerWaalsContact O-CB 3.31Å; M704-H707 WeakPolarHBondContact O-CB 3.26Å; M704-H707 PolarHBondContact O-N 3.04Å; H707-S709 VanDerWaalsContact C-N 3.3Å; H707-S709 PolarHBondContact O-N 2.85Å; H707-L710 PolarHBondContact O-N 3.08Å; H707-L711 WeakPolarHBondContact O-CB 3.36Å; H707-L711 PolarHBondContact O-N 2.95Å; H707-H746 AromaticContact CE1-NE2 3.92Å; H707-H746 AromaticContact CG-NE2 3.56Å; H707-H746 AromaticContact ND1-CE1 3.77Å; H707-H746 AromaticContact ND1-NE2 3.03Å; H707-H746 PolarHBondContact ND1-NE2 3.25Å; H707-I807 VanDerWaalsContact CE1-CG2 3.41Å; H707-I807 WeakPolarHBondContact CE1-CG2 3.43Å; H707-I807 PolarHBondContact CE1-O 2.96Å; H707-I807 VanDerWaalsContact CE1-O 3.31Å
708	M	92.5	Very high	92.6	Very high	83 Å²	83	37.5 Å²	37.5	41%	0.409	21%	0.212	S	C	.	.	H	α-helix	trans	-69	-26.2	-177.1	-66	-61.1	159.1	0	0	113.5	K706 L711 A712 I807	K706-M708 VanDerWaalsContact C-N 3.3Å; K706-M708 PolarHBondContact O-N 2.85Å; K706-M708 VanDerWaalsContact O-N 3.14Å; M708-L711 HydrophobicContact SD-CD2 4.48Å; M708-A712 WeakPolarHBondContact O-CB 3.5Å; M708-A712 PolarHBondContact O-N 3.5Å; M708-I807 HydrophobicContact CE-CD1 4.08Å
709	S	92	Very high	91.7	Very high	73 Å²	73	43.7 Å²	43.7	51%	0.51	24%	0.241	S	C	.	.	H	α-helix	trans	-72.5	-46.5	172.7	-164	0	0	0	0	110.7	K706 H707 L711 A712 D713	K706-S709 WeakPolarHBondContact O-CB 3.26Å; K706-S709 PolarHBondContact O-N 3.08Å; H707-S709 VanDerWaalsContact C-N 3.3Å; H707-S709 PolarHBondContact O-N 2.85Å; S709-L711 VanDerWaalsContact C-N 3.35Å; S709-L711 PolarHBondContact O-N 3.13Å; S709-A712 PolarHBondContact O-N 3.5Å; S709-D713 PolarHBondContact O-N 3.41Å
710	L	93.4	Very high	90.6	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.052	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-44.5	178.3	-67.9	170.1	0	0	0	111.7	A701 K706 H707 A712 D713 L714 Q742 N743 H746	A701-L710 HydrophobicContact CB-CD1 4.12Å; A701-L710 HydrophobicContact CB-CD2 4.2Å; A701-L710 VanDerWaalsContact O-CD1 3.26Å; A701-L710 WeakPolarHBondContact O-CD1 3.44Å; K706-L710 PolarHBondContact O-N 3.14Å; K706-L710 VanDerWaalsContact O-N 3.13Å; H707-L710 PolarHBondContact O-N 3.08Å; L710-A712 PolarHBondContact O-N 2.94Å; L710-D713 PolarHBondContact O-N 3.44Å; L710-L714 WeakPolarHBondContact O-CB 3.45Å; L710-L714 PolarHBondContact O-N 2.81Å; L710-Q742 HydrophobicContact CD2-CB 3.87Å; L710-N743 PolarHBondContact O-ND2 2.85Å; L710-N743 PolarHBondContact O-OD1 3.2Å; L710-H746 HydrophobicContact CD1-CB 4.18Å
711	L	92.6	Very high	89.4	Confident	11 Å²	11	46.9 Å²	46.9	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-35.3	177.2	-176.2	58.7	0	0	0	112.8	H707 M708 S709 K715 P810 L811 T814	H707-L711 WeakPolarHBondContact O-CB 3.36Å; H707-L711 PolarHBondContact O-N 2.95Å; M708-L711 HydrophobicContact SD-CD2 4.48Å; S709-L711 VanDerWaalsContact C-N 3.35Å; S709-L711 PolarHBondContact O-N 3.13Å; L711-K715 HydrophobicContact CD1-CD 4.43Å; L711-K715 HydrophobicContact CD1-CG 4.49Å; L711-K715 HydrophobicContact CG-CD 4.35Å; L711-K715 WeakPolarHBondContact O-CB 3.25Å; L711-K715 VanDerWaalsContact O-CG 3.29Å; L711-K715 WeakPolarHBondContact O-CG 3.43Å; L711-K715 PolarHBondContact O-N 2.97Å; L711-P810 WeakPolarHBondContact CD1-O 3.49Å; L711-P810 HydrophobicContact CD2-CB 4Å; L711-L811 HydrophobicContact CD1-CD1 4.49Å; L711-T814 HydrophobicContact CD1-CG2 4.46Å; L711-T814 WeakPolarHBondContact CD1-OG1 3.35Å
712	A	89.2	Confident	88.1	Confident	49 Å²	49	52 Å²	52	41%	0.405	28%	0.282	S	S	.	.	H	α-helix	trans	-69.1	-42.9	175.8	0	0	0	0	0	111.9	M708 S709 L710 K715 T716	M708-A712 WeakPolarHBondContact O-CB 3.5Å; M708-A712 PolarHBondContact O-N 3.5Å; S709-A712 PolarHBondContact O-N 3.5Å; L710-A712 PolarHBondContact O-N 2.94Å; A712-K715 PolarHBondContact O-N 3Å; A712-T716 WeakPolarHBondContact O-CB 3.48Å; A712-T716 PolarHBondContact O-N 3.18Å; A712-T716 PolarHBondContact O-OG1 3.23Å
713	D	87.4	Confident	86.2	Confident	52 Å²	52	57.9 Å²	57.9	28%	0.278	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-45.9	174.8	-75.1	-1.1	0	0	0	110.8	S709 L710 K715 T716 M717 Q739	S709-D713 PolarHBondContact O-N 3.41Å; L710-D713 PolarHBondContact O-N 3.44Å; D713-K715 PolarHBondContact O-N 3.48Å; D713-T716 WeakPolarHBondContact O-CB 3.33Å; D713-T716 PolarHBondContact O-N 2.96Å; D713-M717 PolarHBondContact O-N 3.37Å; D713-Q739 HydrophobicContact CB-CG 4.45Å; D713-Q739 PolarHBondContact OD2-NE2 3.45Å
714	L	89.5	Confident	84.5	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.2	-45.2	178.1	-168.1	67.1	0	0	0	112.1	L710 T716 M717 V718 N743 L811 T814 W815 L818	L710-L714 WeakPolarHBondContact O-CB 3.45Å; L710-L714 PolarHBondContact O-N 2.81Å; L714-T716 PolarHBondContact O-N 3.29Å; L714-M717 PolarHBondContact O-N 3.11Å; L714-V718 WeakPolarHBondContact O-CG2 3.3Å; L714-V718 PolarHBondContact O-N 3.46Å; L714-N743 HydrophobicContact CD1-CB 3.9Å; L714-N743 HydrophobicContact CD2-CB 4.33Å; L714-L811 HydrophobicContact CD2-CD1 4.15Å; L714-T814 HydrophobicContact CB-CG2 4.12Å; L714-T814 HydrophobicContact CD2-CG2 3.77Å; L714-T814 HydrophobicContact CG-CG2 3.67Å; L714-W815 HydrophobicContact CD1-CE3 4.37Å; L714-W815 HydrophobicContact CD2-CB 4.48Å; L714-L818 HydrophobicContact CD1-CD2 3.68Å
715	K	89.3	Confident	82.9	Confident	84 Å²	84	60.3 Å²	60.3	37%	0.365	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-44.5	175.7	-78.3	176.4	178.7	172.9	0	112.1	L711 A712 D713 M717 V718 E719 T814	L711-K715 HydrophobicContact CD1-CD 4.43Å; L711-K715 HydrophobicContact CD1-CG 4.49Å; L711-K715 HydrophobicContact CG-CD 4.35Å; L711-K715 WeakPolarHBondContact O-CB 3.25Å; L711-K715 VanDerWaalsContact O-CG 3.29Å; L711-K715 WeakPolarHBondContact O-CG 3.43Å; L711-K715 PolarHBondContact O-N 2.97Å; A712-K715 PolarHBondContact O-N 3Å; D713-K715 PolarHBondContact O-N 3.48Å; K715-M717 PolarHBondContact O-N 3.46Å; K715-V718 PolarHBondContact O-N 3.45Å; K715-E719 WeakPolarHBondContact O-CG 3.33Å; K715-E719 PolarHBondContact O-N 2.68Å; K715-T814 HydrophobicContact CB-CG2 4.31Å; K715-T814 WeakPolarHBondContact CE-OG1 3.47Å; K715-T814 HydrophobicContact CG-CG2 3.47Å; K715-T814 VanDerWaalsContact CG-CG2 3.47Å
716	T	84.7	Confident	81.1	Confident	82 Å²	82	58.5 Å²	58.5	50%	0.503	35%	0.346	S	S	.	.	H	α-helix	trans	-58.7	-39.8	176.6	-54.6	0	0	0	0	111	A712 D713 L714 E719 T720	A712-T716 WeakPolarHBondContact O-CB 3.48Å; A712-T716 PolarHBondContact O-N 3.18Å; A712-T716 PolarHBondContact O-OG1 3.23Å; D713-T716 WeakPolarHBondContact O-CB 3.33Å; D713-T716 PolarHBondContact O-N 2.96Å; L714-T716 PolarHBondContact O-N 3.29Å; T716-E719 PolarHBondContact O-N 3.12Å; T716-T720 WeakPolarHBondContact O-CG2 3.44Å; T716-T720 PolarHBondContact O-N 2.99Å; T716-T720 VanDerWaalsContact O-N 3.07Å; T716-T720 PolarHBondContact O-OG1 3.47Å
717	M	83	Confident	79.4	Confident	13 Å²	13	57.7 Å²	57.7	6%	0.064	36%	0.359	C	S	.	.	H	α-helix	trans	-71.2	-36.5	177.9	-164.5	-178.1	-63.1	0	0	113.7	D713 L714 K715 E719 T720 K721 D736 Q739 I740 L818	D713-M717 PolarHBondContact O-N 3.37Å; L714-M717 PolarHBondContact O-N 3.11Å; K715-M717 PolarHBondContact O-N 3.46Å; M717-E719 VanDerWaalsContact C-N 3.35Å; M717-T720 WeakPolarHBondContact CA-OG1 3.45Å; M717-T720 PolarHBondContact O-N 3.1Å; M717-T720 PolarHBondContact O-OG1 2.97Å; M717-T720 VanDerWaalsContact O-OG1 3.05Å; M717-K721 WeakPolarHBondContact O-CB 3.39Å; M717-K721 PolarHBondContact O-N 3.48Å; M717-D736 HydrophobicContact CE-CB 4.31Å; M717-D736 VanDerWaalsContact CE-O 3.3Å; M717-D736 WeakPolarHBondContact CE-O 3.31Å; M717-Q739 HydrophobicContact CE-CB 3.69Å; M717-I740 HydrophobicContact CE-CG1 3.87Å; M717-I740 HydrophobicContact SD-CD1 3.55Å; M717-I740 VanDerWaalsContact SD-CD1 3.55Å; M717-I740 HydrophobicContact SD-CG1 3.3Å; M717-I740 WeakPolarHBondContact SD-CG1 3.35Å; M717-L818 HydrophobicContact CG-CD1 4.43Å; M717-L818 HydrophobicContact SD-CD1 4.48Å
718	V	83.8	Confident	77.7	Confident	6 Å²	6	62.5 Å²	62.5	4%	0.036	38%	0.384	C	S	.	.	H	α-helix	trans	-62.5	-43.2	171.8	167	0	0	0	0	111	L714 K715 K721 K722 T814 D817 L818	L714-V718 WeakPolarHBondContact O-CG2 3.3Å; L714-V718 PolarHBondContact O-N 3.46Å; K715-V718 PolarHBondContact O-N 3.45Å; V718-K721 PolarHBondContact O-N 3.48Å; V718-K722 HydrophobicContact CG1-CD 4.08Å; V718-K722 WeakPolarHBondContact O-CG 3.44Å; V718-K722 PolarHBondContact O-N 2.98Å; V718-T814 HydrophobicContact CG2-CG2 3.99Å; V718-T814 WeakPolarHBondContact CG2-O 3.46Å; V718-D817 HydrophobicContact CG1-CB 3.86Å; V718-D817 HydrophobicContact CG2-CB 4.32Å; V718-L818 HydrophobicContact CG2-CB 3.74Å; V718-L818 HydrophobicContact CG2-CD1 4Å; V718-L818 HydrophobicContact CG2-CG 4.46Å
719	E	80.9	Confident	76.5	Confident	131 Å²	131	59 Å²	59	61%	0.612	37%	0.367	S	S	*	.	H	α-helix	trans	-63.6	-43.4	178.1	-72.4	178	-175.3	0	0	111.8	K715 T716 M717 K722 V723	K715-E719 WeakPolarHBondContact O-CG 3.33Å; K715-E719 PolarHBondContact O-N 2.68Å; T716-E719 PolarHBondContact O-N 3.12Å; M717-E719 VanDerWaalsContact C-N 3.35Å; E719-K722 PolarHBondContact O-N 3.39Å; E719-V723 WeakPolarHBondContact O-CG2 3.45Å; E719-V723 PolarHBondContact O-N 2.73Å
720	T	75.1	Confident	75.1	Confident	88 Å²	88	60.5 Å²	60.5	54%	0.54	37%	0.373	S	S	.	.	H	α-helix	trans	-68.9	-37.7	176.2	56.9	0	0	0	0	112.8	T716 M717 K722 V723 A724	T716-T720 WeakPolarHBondContact O-CG2 3.44Å; T716-T720 PolarHBondContact O-N 2.99Å; T716-T720 VanDerWaalsContact O-N 3.07Å; T716-T720 PolarHBondContact O-OG1 3.47Å; M717-T720 WeakPolarHBondContact CA-OG1 3.45Å; M717-T720 PolarHBondContact O-N 3.1Å; M717-T720 PolarHBondContact O-OG1 2.97Å; M717-T720 VanDerWaalsContact O-OG1 3.05Å; T720-K722 VanDerWaalsContact C-N 3.35Å; T720-K722 PolarHBondContact O-N 2.7Å; T720-V723 PolarHBondContact O-N 3.24Å; T720-A724 PolarHBondContact O-N 3.16Å; T720-A724 VanDerWaalsContact O-N 3.08Å
721	K	72.8	Confident	74	Confident	29 Å²	29	61.2 Å²	61.2	13%	0.126	38%	0.377	C	S	.	.	H	α-helix	trans	-56.5	-47.9	171.9	-172.4	-165.4	-177.7	-177	0	111.2	M717 V718 V723 A724 G725 G727 L729 L818	M717-K721 WeakPolarHBondContact O-CB 3.39Å; M717-K721 PolarHBondContact O-N 3.48Å; V718-K721 PolarHBondContact O-N 3.48Å; K721-V723 VanDerWaalsContact C-N 3.27Å; K721-V723 PolarHBondContact O-N 3.3Å; K721-A724 PolarHBondContact O-N 3.41Å; K721-A724 VanDerWaalsContact O-N 3.12Å; K721-G725 PolarHBondContact O-N 3.13Å; K721-G727 WeakPolarHBondContact CE-O 3.47Å; K721-G727 PolarHBondContact NZ-O 2.96Å; K721-G727 VanDerWaalsContact NZ-O 3.16Å; K721-L729 HydrophobicContact CB-CD2 4Å; K721-L729 HydrophobicContact CD-CD1 4.42Å; K721-L729 HydrophobicContact CD-CD2 3.78Å; K721-L729 HydrophobicContact CD-CG 3.9Å; K721-L729 HydrophobicContact CG-CD2 3.77Å; K721-L729 HydrophobicContact CG-CG 4.26Å; K721-L818 HydrophobicContact CD-CD1 4.43Å; K721-L818 PolarHBondContact NZ-O 2.87Å
722	K	69.9	Low	72.8	Confident	113 Å²	113	68.8 Å²	68.8	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-60.9	-34.7	-179.9	-74.3	171.9	-179.1	176	0	112.4	V718 E719 T720 D817	V718-K722 HydrophobicContact CG1-CD 4.08Å; V718-K722 WeakPolarHBondContact O-CG 3.44Å; V718-K722 PolarHBondContact O-N 2.98Å; E719-K722 PolarHBondContact O-N 3.39Å; T720-K722 VanDerWaalsContact C-N 3.35Å; T720-K722 PolarHBondContact O-N 2.7Å; K722-D817 IonicContact NZ-OD2 3.84Å; K722-D817 PolarHBondContact NZ-OD2 2.73Å
723	V	59.6	Low	72.3	Confident	132 Å²	132	69.8 Å²	69.8	80%	0.8	41%	0.41	S	S	*	.	H	α-helix	trans	-72.8	-33.2	175.2	174.1	0	0	0	0	112.6	E719 T720 K721 G725	E719-V723 WeakPolarHBondContact O-CG2 3.45Å; E719-V723 PolarHBondContact O-N 2.73Å; T720-V723 PolarHBondContact O-N 3.24Å; K721-V723 VanDerWaalsContact C-N 3.27Å; K721-V723 PolarHBondContact O-N 3.3Å; V723-G725 VanDerWaalsContact C-N 3.3Å; V723-G725 PolarHBondContact O-N 2.76Å
724	A	61.9	Low	72.1	Confident	71 Å²	71	68.3 Å²	68.3	59%	0.587	40%	0.401	S	S	*	.	H	α-helix	trans	-70.8	-21.5	-177.9	0	0	0	0	0	114.1	T720 K721 S726	T720-A724 PolarHBondContact O-N 3.16Å; T720-A724 VanDerWaalsContact O-N 3.08Å; K721-A724 PolarHBondContact O-N 3.41Å; K721-A724 VanDerWaalsContact O-N 3.12Å; A724-S726 PolarHBondContact O-N 2.69Å
725	G	60.6	Low	72	Confident	71 Å²	71	72.7 Å²	72.7	73%	0.732	42%	0.423	S	S	*	.			trans	69.7	-12	175.8	0	0	0	0	0	116	K721 V723	K721-G725 PolarHBondContact O-N 3.13Å; V723-G725 VanDerWaalsContact C-N 3.3Å; V723-G725 PolarHBondContact O-N 2.76Å
726	S	56.8	Low	71.8	Confident	49 Å²	49	71.2 Å²	71.2	34%	0.343	42%	0.419	S	S	.	.			trans	-74.7	123	165.9	175	0	0	0	0	109.7	A724 I728	A724-S726 PolarHBondContact O-N 2.69Å; S726-I728 PolarHBondContact O-N 3.14Å; S726-I728 PolarHBondContact OG-N 3.07Å; S726-I728 PolarHBondContact OG-O 2.85Å
727	G	57.4	Low	72.2	Confident	58 Å²	58	68.7 Å²	68.7	60%	0.598	40%	0.401	S	S	*	.	S	Bend	trans	-63.3	-21.3	171.6	0	0	0	0	0	113.3	K721	K721-G727 WeakPolarHBondContact CE-O 3.47Å; K721-G727 PolarHBondContact NZ-O 2.96Å; K721-G727 VanDerWaalsContact NZ-O 3.16Å
728	I	59.8	Low	72.7	Confident	107 Å²	107	68.6 Å²	68.6	55%	0.549	40%	0.4	S	S	.	.	S	Bend	trans	-90.9	130.3	177.3	-58.6	169	0	0	0	109.3	S726 T730	S726-I728 PolarHBondContact O-N 3.14Å; S726-I728 PolarHBondContact OG-N 3.07Å; S726-I728 PolarHBondContact OG-O 2.85Å; I728-T730 PolarHBondContact O-N 3.31Å
729	L	66.2	Low	73.1	Confident	10 Å²	10	70.3 Å²	70.3	5%	0.052	41%	0.408	C	S	.	.			trans	-74.4	98.7	175.3	-80.2	157.3	0	0	0	110.9	L612 K721 L731 I740 L818	L612-L729 HydrophobicContact CD2-CD1 3.86Å; K721-L729 HydrophobicContact CB-CD2 4Å; K721-L729 HydrophobicContact CD-CD1 4.42Å; K721-L729 HydrophobicContact CD-CD2 3.78Å; K721-L729 HydrophobicContact CD-CG 3.9Å; K721-L729 HydrophobicContact CG-CD2 3.77Å; K721-L729 HydrophobicContact CG-CG 4.26Å; L729-L731 HydrophobicContact CB-CD1 4.32Å; L729-L731 HydrophobicContact CB-CG 4.16Å; L729-L731 HydrophobicContact CD2-CD2 4.32Å; L729-L731 PolarHBondContact O-N 3.18Å; L729-I740 HydrophobicContact CD1-CD1 4.17Å; L729-L818 HydrophobicContact CD1-CD1 3.73Å; L729-L818 HydrophobicContact CD1-CG 3.93Å; L729-L818 HydrophobicContact CD2-CD1 3.9Å; L729-L818 HydrophobicContact CG-CD1 4.41Å
730	T	63.7	Low	73.7	Confident	105 Å²	105	64 Å²	64	64%	0.644	38%	0.379	S	S	*	.			trans	-82.2	90	173.8	53.6	0	0	0	0	110.7	I728	I728-T730 PolarHBondContact O-N 3.31Å
731	L	69.5	Low	74.7	Confident	25 Å²	25	59.9 Å²	59.9	13%	0.131	35%	0.353	C	S	.	.			trans	-103.8	85.8	-176.6	-55.4	176.4	0	0	0	111.6	V615 L729 N733 D736 R737 I740	V615-L731 HydrophobicContact CG1-CB 4.36Å; V615-L731 HydrophobicContact CG1-CD1 3.73Å; V615-L731 HydrophobicContact CG1-CG 4.32Å; L729-L731 HydrophobicContact CB-CD1 4.32Å; L729-L731 HydrophobicContact CB-CG 4.16Å; L729-L731 HydrophobicContact CD2-CD2 4.32Å; L729-L731 PolarHBondContact O-N 3.18Å; L731-N733 VanDerWaalsContact C-N 3.33Å; L731-D736 HydrophobicContact CD2-CB 4.04Å; L731-R737 HydrophobicContact CB-CG 3.68Å; L731-R737 HydrophobicContact CD1-CG 4.29Å; L731-R737 PolarHBondContact O-NH1 2.92Å; L731-I740 HydrophobicContact CD1-CD1 3.25Å; L731-I740 HydrophobicContact CD1-CG1 4.14Å
732	E	67.9	Low	75.9	Confident	170 Å²	170	60.2 Å²	60.2	79%	0.794	36%	0.355	S	S	*	.			trans	-71.8	-28.7	-179.9	-60.2	-173.5	169.6	0	0	112.6
733	N	78.5	Confident	77.2	Confident	69 Å²	69	54.9 Å²	54.9	37%	0.369	33%	0.332	S	S	.	.	S	Bend	trans	-93	139.5	-173	-176.9	16.9	0	0	0	112.9	L731 I735 D736 R737	L731-N733 VanDerWaalsContact C-N 3.33Å; N733-I735 VanDerWaalsContact C-N 3.28Å; N733-I735 PolarHBondContact O-N 3.39Å; N733-I735 PolarHBondContact OD1-N 2.73Å; N733-D736 PolarHBondContact ND2-OD1 3.1Å; N733-D736 PolarHBondContact O-N 3.44Å; N733-R737 PolarHBondContact O-N 3.45Å
734	Y	84.2	Confident	79	Confident	21 Å²	21	48.6 Å²	48.6	8%	0.082	29%	0.294	C	S	.	.	H	α-helix	trans	-57.3	-38.7	173.3	169.5	-88.6	0	0	0	112.6	R693 M694 D697 R737 M738	R693-Y734 PolarHBondContact NE-OH 2.9Å; M694-Y734 HydrophobicContact CG-CE2 3.93Å; M694-Y734 HydrophobicContact SD-CE2 4.08Å; D697-Y734 PolarHBondContact OD2-OH 3.3Å; Y734-R737 PolarHBondContact O-N 2.96Å; Y734-M738 HydrophobicContact CE1-CB 4.29Å; Y734-M738 HydrophobicContact CE2-CE 4.3Å; Y734-M738 VanDerWaalsContact O-CB 3.3Å; Y734-M738 WeakPolarHBondContact O-CB 3.32Å; Y734-M738 PolarHBondContact O-N 3.31Å
735	I	86	Confident	80.8	Confident	92 Å²	92	45.2 Å²	45.2	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-49.1	-176.8	-58	176.2	0	0	0	109.9	N733 R737 M738 Q739	N733-I735 VanDerWaalsContact C-N 3.28Å; N733-I735 PolarHBondContact O-N 3.39Å; N733-I735 PolarHBondContact OD1-N 2.73Å; I735-R737 PolarHBondContact O-N 3.1Å; I735-M738 PolarHBondContact O-N 3.09Å; I735-Q739 PolarHBondContact O-N 3.37Å
736	D	86.3	Confident	82.6	Confident	53 Å²	53	41.9 Å²	41.9	28%	0.283	23%	0.231	S	C	.	.	H	α-helix	trans	-64.9	-42	-177.7	-40	-1	0	0	0	110.5	M717 L731 N733 Q739 I740	M717-D736 HydrophobicContact CE-CB 4.31Å; M717-D736 VanDerWaalsContact CE-O 3.3Å; M717-D736 WeakPolarHBondContact CE-O 3.31Å; L731-D736 HydrophobicContact CD2-CB 4.04Å; N733-D736 PolarHBondContact ND2-OD1 3.1Å; N733-D736 PolarHBondContact O-N 3.44Å; D736-Q739 PolarHBondContact O-N 3.47Å; D736-I740 PolarHBondContact O-N 3.37Å
737	R	91.3	Very high	84.5	Confident	30 Å²	30	39.5 Å²	39.5	11%	0.113	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-42.3	173.5	-66.5	-157.3	-52.8	-95.3	2.1	112.2	V615 F616 E620 L731 N733 Y734 I735 Q739 I740 L741	V615-R737 WeakPolarHBondContact O-CD 3.25Å; F616-R737 HydrophobicContact CD1-CB 4.48Å; F616-R737 HydrophobicContact CE1-CB 4.15Å; E620-R737 IonicContact OE1-CZ 3.23Å; E620-R737 VanDerWaalsContact OE1-CZ 3.23Å; E620-R737 IonicContact OE1-NE 2.8Å; E620-R737 PolarHBondContact OE1-NE 3.08Å; E620-R737 IonicContact OE1-NH2 2.76Å; E620-R737 PolarHBondContact OE1-NH2 3.4Å; E620-R737 IonicContact OE2-NE 3.46Å; E620-R737 PolarHBondContact OE2-NE 3.33Å; E620-R737 IonicContact OE2-NH2 3.84Å; L731-R737 HydrophobicContact CB-CG 3.68Å; L731-R737 HydrophobicContact CD1-CG 4.29Å; L731-R737 PolarHBondContact O-NH1 2.92Å; N733-R737 PolarHBondContact O-N 3.45Å; Y734-R737 PolarHBondContact O-N 2.96Å; I735-R737 PolarHBondContact O-N 3.1Å; R737-Q739 PolarHBondContact O-N 3.46Å; R737-I740 PolarHBondContact O-N 3.28Å; R737-L741 WeakPolarHBondContact O-CG 3.28Å; R737-L741 PolarHBondContact O-N 3.34Å
738	M	94.1	Very high	86.5	Confident	11 Å²	11	36.8 Å²	36.8	5%	0.054	19%	0.186	C	C	.	.	H	α-helix	trans	-62.5	-41	176.7	-178.4	51.2	55.3	0	0	111.9	M694 D697 M698 Y734 I735 I740 L741 Q742	M694-M738 HydrophobicContact CB-CE 3.67Å; M694-M738 HydrophobicContact CG-CE 3.51Å; M694-M738 HydrophobicContact SD-CE 4.17Å; D697-M738 HydrophobicContact CB-CG 4.36Å; D697-M738 HydrophobicContact CB-SD 3.89Å; M698-M738 HydrophobicContact CG-SD 3.89Å; Y734-M738 HydrophobicContact CE1-CB 4.29Å; Y734-M738 HydrophobicContact CE2-CE 4.3Å; Y734-M738 VanDerWaalsContact O-CB 3.3Å; Y734-M738 WeakPolarHBondContact O-CB 3.32Å; Y734-M738 PolarHBondContact O-N 3.31Å; I735-M738 PolarHBondContact O-N 3.09Å; M738-I740 VanDerWaalsContact C-N 3.32Å; M738-I740 PolarHBondContact O-N 3.02Å; M738-L741 HydrophobicContact CE-CD1 4.32Å; M738-L741 PolarHBondContact O-N 3.04Å; M738-L741 VanDerWaalsContact O-N 3.15Å; M738-Q742 HydrophobicContact CG-CG 4.28Å; M738-Q742 WeakPolarHBondContact O-CB 3.35Å; M738-Q742 WeakPolarHBondContact O-CG 3.46Å; M738-Q742 PolarHBondContact O-N 3.47Å; M738-Q742 HydrophobicContact SD-CG 3.88Å
739	Q	92.3	Very high	88.3	Confident	41 Å²	41	32.3 Å²	32.3	19%	0.192	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-37.4	175.7	-78.5	176.4	-37.8	0	0	112.6	D713 M717 I735 D736 R737 N743	D713-Q739 HydrophobicContact CB-CG 4.45Å; D713-Q739 PolarHBondContact OD2-NE2 3.45Å; M717-Q739 HydrophobicContact CE-CB 3.69Å; I735-Q739 PolarHBondContact O-N 3.37Å; D736-Q739 PolarHBondContact O-N 3.47Å; R737-Q739 PolarHBondContact O-N 3.46Å; Q739-N743 WeakPolarHBondContact O-CB 3.49Å; Q739-N743 PolarHBondContact O-N 3.28Å; Q739-N743 VanDerWaalsContact O-N 3.14Å; Q739-N743 PolarHBondContact O-ND2 2.68Å
740	I	93.9	Very high	89.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.2	-45.9	171.1	-59.8	-170.2	0	0	0	111	L612 F616 M717 L729 L731 D736 R737 M738 Q742 N743 M744 W815 L818	L612-I740 HydrophobicContact CD2-CD1 4.29Å; L612-I740 HydrophobicContact CD2-CG2 4.47Å; F616-I740 HydrophobicContact CE2-CG2 4.49Å; F616-I740 HydrophobicContact CZ-CB 4.01Å; F616-I740 HydrophobicContact CZ-CG2 3.74Å; M717-I740 HydrophobicContact CE-CG1 3.87Å; M717-I740 HydrophobicContact SD-CD1 3.55Å; M717-I740 VanDerWaalsContact SD-CD1 3.55Å; M717-I740 HydrophobicContact SD-CG1 3.3Å; M717-I740 WeakPolarHBondContact SD-CG1 3.35Å; L729-I740 HydrophobicContact CD1-CD1 4.17Å; L731-I740 HydrophobicContact CD1-CD1 3.25Å; L731-I740 HydrophobicContact CD1-CG1 4.14Å; D736-I740 PolarHBondContact O-N 3.37Å; R737-I740 PolarHBondContact O-N 3.28Å; M738-I740 VanDerWaalsContact C-N 3.32Å; M738-I740 PolarHBondContact O-N 3.02Å; I740-Q742 VanDerWaalsContact C-N 3.34Å; I740-Q742 PolarHBondContact O-N 2.97Å; I740-N743 CarbonylContact O-C 3.25Å; I740-N743 PolarHBondContact O-N 2.85Å; I740-M744 HydrophobicContact CG2-CE 4.5Å; I740-M744 WeakPolarHBondContact O-CB 3.14Å; I740-M744 PolarHBondContact O-N 2.89Å; I740-W815 HydrophobicContact CG2-CH2 3.9Å; I740-W815 HydrophobicContact CG2-CZ3 3.92Å; I740-L818 HydrophobicContact CD1-CD2 4.04Å; I740-L818 HydrophobicContact CG1-CD2 4.26Å; I740-L818 HydrophobicContact CG2-CD2 4.47Å
741	L	97.1	Very high	91.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60	-43.9	-178.9	-68	171.8	0	0	0	111.7	F616 E620 V624 M698 R737 M738 M744 V745	F616-L741 HydrophobicContact CD1-CD1 4.25Å; F616-L741 HydrophobicContact CD1-CD2 3.79Å; F616-L741 HydrophobicContact CD1-CG 4.05Å; F616-L741 HydrophobicContact CD2-CD2 4.46Å; F616-L741 HydrophobicContact CE1-CD1 4.22Å; F616-L741 HydrophobicContact CE1-CD2 3.59Å; F616-L741 HydrophobicContact CE1-CG 3.62Å; F616-L741 HydrophobicContact CE2-CD2 4.28Å; F616-L741 HydrophobicContact CG-CD2 4.23Å; F616-L741 HydrophobicContact CZ-CD2 3.85Å; F616-L741 HydrophobicContact CZ-CG 4.18Å; E620-L741 HydrophobicContact CB-CD1 4.03Å; E620-L741 HydrophobicContact CG-CD1 4.11Å; V624-L741 HydrophobicContact CB-CD2 4.08Å; V624-L741 HydrophobicContact CG1-CD2 4.2Å; V624-L741 HydrophobicContact CG2-CD2 4.16Å; M698-L741 HydrophobicContact CG-CB 4.38Å; M698-L741 HydrophobicContact SD-CB 3.77Å; M698-L741 HydrophobicContact SD-CD1 4.49Å; R737-L741 WeakPolarHBondContact O-CG 3.28Å; R737-L741 PolarHBondContact O-N 3.34Å; M738-L741 HydrophobicContact CE-CD1 4.32Å; M738-L741 PolarHBondContact O-N 3.04Å; M738-L741 VanDerWaalsContact O-N 3.15Å; L741-M744 WeakPolarHBondContact O-CB 3.46Å; L741-M744 PolarHBondContact O-N 3.06Å; L741-V745 WeakPolarHBondContact O-CG2 3.39Å; L741-V745 PolarHBondContact O-N 3.07Å
742	Q	97.8	Very high	92.9	Very high	37 Å²	37	26.8 Å²	26.8	17%	0.173	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-48.3	173.5	-72	173.6	-47.4	0	0	111.8	D697 M698 A701 L710 M738 I740 M744 V745 H746	D697-Q742 PolarHBondContact O-NE2 2.94Å; M698-Q742 HydrophobicContact CG-CG 4.29Å; A701-Q742 HydrophobicContact CB-CB 3.88Å; A701-Q742 HydrophobicContact CB-CG 3.85Å; L710-Q742 HydrophobicContact CD2-CB 3.87Å; M738-Q742 HydrophobicContact CG-CG 4.28Å; M738-Q742 WeakPolarHBondContact O-CB 3.35Å; M738-Q742 WeakPolarHBondContact O-CG 3.46Å; M738-Q742 PolarHBondContact O-N 3.47Å; M738-Q742 HydrophobicContact SD-CG 3.88Å; I740-Q742 VanDerWaalsContact C-N 3.34Å; I740-Q742 PolarHBondContact O-N 2.97Å; Q742-M744 VanDerWaalsContact C-N 3.31Å; Q742-M744 PolarHBondContact O-N 2.57Å; Q742-V745 PolarHBondContact O-N 2.73Å; Q742-H746 WeakPolarHBondContact O-CB 3.37Å; Q742-H746 PolarHBondContact O-N 3.29Å
743	N	96.9	Very high	94.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.9	-31.3	176.6	-84.3	-81.9	0	0	0	113	L710 L714 Q739 I740 H746 C747 W815	L710-N743 PolarHBondContact O-ND2 2.85Å; L710-N743 PolarHBondContact O-OD1 3.2Å; L714-N743 HydrophobicContact CD1-CB 3.9Å; L714-N743 HydrophobicContact CD2-CB 4.33Å; Q739-N743 WeakPolarHBondContact O-CB 3.49Å; Q739-N743 PolarHBondContact O-N 3.28Å; Q739-N743 VanDerWaalsContact O-N 3.14Å; Q739-N743 PolarHBondContact O-ND2 2.68Å; I740-N743 CarbonylContact O-C 3.25Å; I740-N743 PolarHBondContact O-N 2.85Å; N743-H746 PolarHBondContact O-N 2.94Å; N743-C747 WeakPolarHBondContact O-CB 3.47Å; N743-C747 PolarHBondContact O-N 2.83Å; N743-C747 PolarHBondContact O-SG 3.11Å; N743-W815 HydrophobicContact CB-CZ3 4.38Å
744	M	97.8	Very high	95.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.2	-46.8	177.3	-173.8	-175.6	-71.6	0	0	111.4	T603 L606 L607 L612 F616 I740 L741 Q742 H746 C747 A748 W815	T603-M744 HydrophobicContact CG2-CG 4.36Å; T603-M744 HydrophobicContact CG2-SD 4.01Å; L606-M744 HydrophobicContact CB-CG 3.9Å; L606-M744 HydrophobicContact CB-SD 4.21Å; L606-M744 HydrophobicContact CD1-CG 3.96Å; L607-M744 HydrophobicContact CD2-CE 3.92Å; L607-M744 HydrophobicContact CD2-SD 3.73Å; L607-M744 HydrophobicContact CG-CE 4.29Å; L607-M744 HydrophobicContact CG-SD 3.69Å; L612-M744 HydrophobicContact CD1-CE 3.61Å; F616-M744 HydrophobicContact CE2-CE 3.93Å; F616-M744 HydrophobicContact CZ-CE 4.45Å; I740-M744 HydrophobicContact CG2-CE 4.5Å; I740-M744 WeakPolarHBondContact O-CB 3.14Å; I740-M744 PolarHBondContact O-N 2.89Å; L741-M744 WeakPolarHBondContact O-CB 3.46Å; L741-M744 PolarHBondContact O-N 3.06Å; Q742-M744 VanDerWaalsContact C-N 3.31Å; Q742-M744 PolarHBondContact O-N 2.57Å; M744-H746 VanDerWaalsContact C-N 3.34Å; M744-C747 PolarHBondContact O-N 2.64Å; M744-A748 WeakPolarHBondContact O-CB 3.49Å; M744-A748 PolarHBondContact O-N 3.48Å; M744-W815 HydrophobicContact CB-CH2 3.66Å; M744-W815 HydrophobicContact CB-CZ3 4.01Å; M744-W815 HydrophobicContact CE-CH2 3.74Å; M744-W815 HydrophobicContact CE-CZ2 4.18Å; M744-W815 HydrophobicContact CG-CH2 3.87Å; M744-W815 HydrophobicContact CG-CZ2 4.28Å
745	V	98.5	Very high	96	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-61.2	-45.9	174.1	-179.8	0	0	0	0	110	V624 M698 T702 L741 Q742 C747 A748 D749	V624-V745 HydrophobicContact CG2-CG2 3.46Å; V624-V745 VanDerWaalsContact CG2-CG2 3.46Å; M698-V745 HydrophobicContact CB-CG2 4.48Å; M698-V745 HydrophobicContact SD-CG2 4.29Å; T702-V745 HydrophobicContact CG2-CG1 3.69Å; L741-V745 WeakPolarHBondContact O-CG2 3.39Å; L741-V745 PolarHBondContact O-N 3.07Å; Q742-V745 PolarHBondContact O-N 2.73Å; V745-C747 VanDerWaalsContact C-N 3.34Å; V745-C747 PolarHBondContact O-N 3.49Å; V745-A748 WeakPolarHBondContact O-CB 3.48Å; V745-A748 PolarHBondContact O-N 3.49Å; V745-A748 VanDerWaalsContact O-N 3.09Å; V745-D749 WeakPolarHBondContact O-CB 3.34Å; V745-D749 PolarHBondContact O-N 3.4Å
746	H	97.9	Very high	96.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.6	-36.1	178.4	-168.1	59.7	0	0	0	113.3	M704 H707 L710 Q742 N743 M744 L750	M704-H746 VanDerWaalsContact CE-CE1 3.47Å; M704-H746 WeakPolarHBondContact CE-CE1 2.99Å; H707-H746 AromaticContact CE1-NE2 3.92Å; H707-H746 AromaticContact CG-NE2 3.56Å; H707-H746 AromaticContact ND1-CE1 3.77Å; H707-H746 AromaticContact ND1-NE2 3.03Å; H707-H746 PolarHBondContact ND1-NE2 3.25Å; L710-H746 HydrophobicContact CD1-CB 4.18Å; Q742-H746 WeakPolarHBondContact O-CB 3.37Å; Q742-H746 PolarHBondContact O-N 3.29Å; N743-H746 PolarHBondContact O-N 2.94Å; M744-H746 VanDerWaalsContact C-N 3.34Å; H746-L750 VanDerWaalsContact O-CB 3.31Å; H746-L750 WeakPolarHBondContact O-CB 3.13Å; H746-L750 WeakPolarHBondContact O-CG 3.47Å; H746-L750 PolarHBondContact O-N 2.93Å
747	C	98.2	Very high	97.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-69.1	-38.7	171.4	-68.6	0	0	0	0	111.9	L606 N743 M744 V745 L750 S751 W812	L606-C747 HydrophobicContact CD1-CB 4.13Å; N743-C747 WeakPolarHBondContact O-CB 3.47Å; N743-C747 PolarHBondContact O-N 2.83Å; N743-C747 PolarHBondContact O-SG 3.11Å; M744-C747 PolarHBondContact O-N 2.64Å; V745-C747 VanDerWaalsContact C-N 3.34Å; V745-C747 PolarHBondContact O-N 3.49Å; C747-L750 CarbonylContact O-C 3.52Å; C747-L750 VanDerWaalsContact O-C 3.25Å; C747-S751 WeakPolarHBondContact O-CA 3.31Å; C747-S751 WeakPolarHBondContact O-CB 3.35Å; C747-S751 PolarHBondContact O-N 2.99Å; C747-S751 VanDerWaalsContact O-N 3.09Å; C747-W812 HydrophobicContact CB-CH2 4.17Å; C747-W812 HydrophobicContact CB-CZ2 3.99Å; C747-W812 WeakPolarHBondContact O-CZ2 3.38Å
748	A	98.6	Very high	97.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-69.2	-38	179.5	0	0	0	0	0	112.8	V599 T603 L606 M744 V745 S751	V599-A748 HydrophobicContact CG1-CB 3.92Å; T603-A748 WeakPolarHBondContact OG1-CB 3.49Å; L606-A748 HydrophobicContact CD1-CB 4.46Å; M744-A748 WeakPolarHBondContact O-CB 3.49Å; M744-A748 PolarHBondContact O-N 3.48Å; V745-A748 WeakPolarHBondContact O-CB 3.48Å; V745-A748 PolarHBondContact O-N 3.49Å; V745-A748 VanDerWaalsContact O-N 3.09Å; A748-S751 WeakPolarHBondContact O-CB 3.46Å; A748-S751 PolarHBondContact O-OG 2.97Å
749	D	98.6	Very high	97.6	Very high	14 Å²	14	16.4 Å²	16.4	8%	0.075	9%	0.088	C	C	.	.	H	α-helix	trans	-61.7	-56.2	168.7	175.6	6.5	0	0	0	110.3	H595 V599 M704 V745 S751	H595-D749 IonicContact CE1-OD1 3.63Å; H595-D749 IonicContact NE2-OD1 2.73Å; V599-D749 HydrophobicContact CG2-CB 4.5Å; M704-D749 VanDerWaalsContact CE-OD2 3.31Å; M704-D749 WeakPolarHBondContact CE-OD2 3.36Å; V745-D749 WeakPolarHBondContact O-CB 3.34Å; V745-D749 PolarHBondContact O-N 3.4Å; D749-S751 PolarHBondContact O-N 3.35Å
750	L	98.3	Very high	97.9	Very high	12 Å²	12	14.6 Å²	14.6	6%	0.063	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	33.4	176.9	-57.1	-177.4	0	0	0	113.9	M704 H746 C747 F803 I807 L811 W812	M704-L750 HydrophobicContact CE-CD1 4.19Å; M704-L750 HydrophobicContact CE-CD2 3.91Å; M704-L750 HydrophobicContact CE-CG 4.09Å; M704-L750 HydrophobicContact SD-CD1 4.01Å; M704-L750 HydrophobicContact SD-CD2 3.85Å; M704-L750 HydrophobicContact SD-CG 4.32Å; H746-L750 VanDerWaalsContact O-CB 3.31Å; H746-L750 WeakPolarHBondContact O-CB 3.13Å; H746-L750 WeakPolarHBondContact O-CG 3.47Å; H746-L750 PolarHBondContact O-N 2.93Å; C747-L750 CarbonylContact O-C 3.52Å; C747-L750 VanDerWaalsContact O-C 3.25Å; L750-F803 HydrophobicContact CD2-CZ 4.03Å; L750-I807 HydrophobicContact CD1-CG2 4.18Å; L750-L811 HydrophobicContact CB-CD2 4.22Å; L750-L811 HydrophobicContact CD1-CD2 3.82Å; L750-W812 PolarHBondContact O-NE1 3.18Å
751	S	98.5	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-22.9	-174.4	67.2	0	0	0	0	114.6	C747 A748 D749 A754 K755	C747-S751 WeakPolarHBondContact O-CA 3.31Å; C747-S751 WeakPolarHBondContact O-CB 3.35Å; C747-S751 PolarHBondContact O-N 2.99Å; C747-S751 VanDerWaalsContact O-N 3.09Å; A748-S751 WeakPolarHBondContact O-CB 3.46Å; A748-S751 PolarHBondContact O-OG 2.97Å; D749-S751 PolarHBondContact O-N 3.35Å; S751-A754 CarbonylContact O-C 3.52Å; S751-A754 WeakPolarHBondContact O-CA 3.25Å; S751-A754 PolarHBondContact O-N 3.5Å; S751-K755 PolarHBondContact O-N 3.09Å; S751-K755 VanDerWaalsContact OG-CE 3.31Å; S751-K755 WeakPolarHBondContact OG-CE 3.41Å; S751-K755 PolarHBondContact OG-NZ 3.48Å
752	N	98.5	Very high	98.2	Very high	12 Å²	12	23.2 Å²	23.2	6%	0.064	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-52.7	-45.1	-169.6	-50	-40.5	0	0	0	114.1	Y590 A754 K755 Y760 W763	Y590-N752 WeakPolarHBondContact CE2-ND2 3.36Å; Y590-N752 PolarHBondContact OH-ND2 3.42Å; N752-A754 PolarHBondContact O-N 3.38Å; N752-A754 VanDerWaalsContact O-N 3.13Å; N752-K755 WeakPolarHBondContact O-CB 3.27Å; N752-K755 PolarHBondContact O-N 2.9Å; N752-Y760 HydrophobicContact CB-CD2 4.19Å; N752-Y760 VanDerWaalsContact O-CB 3.31Å; N752-Y760 WeakPolarHBondContact O-CB 3Å; N752-Y760 WeakPolarHBondContact O-CD2 3.37Å; N752-W763 HydrophobicContact CB-CB 3.84Å; N752-W763 HydrophobicContact CB-CG 3.99Å; N752-W763 VanDerWaalsContact OD1-CD1 3.3Å; N752-W763 PolarHBondContact OD1-NE1 2.87Å
753	P	98.6	Very high	98.2	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.013	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-67.1	-13.6	-180	-21.8	37.2	0	0	0	114.5	Y760 F803 I804 V808 L830 N833	P753-Y760 HydrophobicContact CB-CD1 4.4Å; P753-Y760 HydrophobicContact CB-CD2 4.34Å; P753-Y760 HydrophobicContact CB-CE1 3.82Å; P753-Y760 HydrophobicContact CB-CE2 3.82Å; P753-Y760 HydrophobicContact CG-CD2 4.36Å; P753-Y760 HydrophobicContact CG-CE2 3.67Å; P753-F803 HydrophobicContact CG-CD1 4.21Å; P753-F803 HydrophobicContact CG-CE1 4.01Å; P753-I804 HydrophobicContact CB-CD1 3.99Å; P753-I804 HydrophobicContact CB-CG1 3.81Å; P753-I804 HydrophobicContact CG-CG1 4.42Å; P753-V808 HydrophobicContact CB-CG1 4.19Å; P753-V808 HydrophobicContact CG-CG1 4.13Å; P753-V808 HydrophobicContact CG-CG2 4.23Å; P753-L830 HydrophobicContact CB-CD1 3.56Å; P753-L830 WeakPolarHBondContact O-CD1 3.4Å; P753-N833 PolarHBondContact O-ND2 3.15Å
754	A	98.3	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-104.7	6.4	176.1	0	0	0	0	0	113.2	W535 S751 N752 I826 L830	W535-A754 PolarHBondContact NE1-O 3.42Å; S751-A754 CarbonylContact O-C 3.52Å; S751-A754 WeakPolarHBondContact O-CA 3.25Å; S751-A754 PolarHBondContact O-N 3.5Å; N752-A754 PolarHBondContact O-N 3.38Å; N752-A754 VanDerWaalsContact O-N 3.13Å; A754-I826 HydrophobicContact CB-CG2 3.48Å; A754-I826 VanDerWaalsContact CB-CG2 3.48Å; A754-L830 HydrophobicContact CB-CB 3.97Å; A754-L830 HydrophobicContact CB-CD1 4.33Å
755	K	98.4	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-81.3	160.6	168.2	-60.3	-69.8	166.4	68.2	0	110.1	W535 D598 S602 S751 N752 L757 L759 T829 N833	W535-K755 HydrophobicContact CZ2-CD 4.15Å; D598-K755 IonicContact OD1-NZ 2.8Å; D598-K755 PolarHBondContact OD1-NZ 3.26Å; D598-K755 IonicContact OD2-NZ 2.88Å; D598-K755 PolarHBondContact OD2-NZ 3.09Å; S602-K755 WeakPolarHBondContact OG-CE 3.41Å; S602-K755 PolarHBondContact OG-NZ 3Å; S751-K755 PolarHBondContact O-N 3.09Å; S751-K755 VanDerWaalsContact OG-CE 3.31Å; S751-K755 WeakPolarHBondContact OG-CE 3.41Å; S751-K755 PolarHBondContact OG-NZ 3.48Å; N752-K755 WeakPolarHBondContact O-CB 3.27Å; N752-K755 PolarHBondContact O-N 2.9Å; K755-L757 PolarHBondContact O-N 3.01Å; K755-L759 HydrophobicContact CB-CB 4.22Å; K755-T829 WeakPolarHBondContact O-CG2 3.46Å; K755-N833 PolarHBondContact O-ND2 3.26Å
756	P	98.1	Very high	98.3	Very high	55 Å²	55	29.8 Å²	29.8	36%	0.357	15%	0.146	S	C	.	.			trans	-48.3	141.1	169.8	-29	35.3	0	0	0	112.7	D758 L759 Y760	P756-D758 VanDerWaalsContact C-N 3.27Å; P756-D758 PolarHBondContact O-N 2.79Å; P756-D758 VanDerWaalsContact O-N 3.08Å; P756-L759 WeakPolarHBondContact O-CB 3.43Å; P756-L759 PolarHBondContact O-N 2.9Å; P756-Y760 PolarHBondContact O-N 2.56Å
757	L	98	Very high	98.3	Very high	44 Å²	44	31.5 Å²	31.5	23%	0.23	16%	0.156	C	C	.	.	H	α-helix	trans	-51.5	-39.4	-168.2	-177.4	62.3	0	0	0	114.2	K755 L759 Y760 R761 N833 W836	K755-L757 PolarHBondContact O-N 3.01Å; L757-L759 VanDerWaalsContact C-N 3.32Å; L757-L759 PolarHBondContact O-N 3.29Å; L757-Y760 PolarHBondContact O-N 2.8Å; L757-R761 HydrophobicContact CD1-CG 3.97Å; L757-R761 HydrophobicContact CG-CG 4.26Å; L757-R761 WeakPolarHBondContact O-CB 3.32Å; L757-R761 VanDerWaalsContact O-CG 3.29Å; L757-R761 WeakPolarHBondContact O-CG 3.34Å; L757-R761 PolarHBondContact O-N 3.41Å; L757-N833 WeakPolarHBondContact CB-OD1 3.43Å; L757-W836 HydrophobicContact CD1-CB 4.45Å; L757-W836 HydrophobicContact CD1-CD2 3.85Å; L757-W836 HydrophobicContact CD1-CE3 3.75Å; L757-W836 HydrophobicContact CD1-CG 4.14Å; L757-W836 HydrophobicContact CD1-CZ3 4.39Å; L757-W836 HydrophobicContact CD2-CB 4.47Å; L757-W836 HydrophobicContact CD2-CD2 3.83Å; L757-W836 HydrophobicContact CD2-CG 3.74Å; L757-W836 HydrophobicContact CG-CD2 4.44Å
758	D	97.7	Very high	98.3	Very high	114 Å²	114	31.7 Å²	31.7	61%	0.61	16%	0.157	S	C	*	.	H	α-helix	trans	-66.9	-30.6	180	-65.1	-43.6	0	0	0	113.4	P756 Q762	P756-D758 VanDerWaalsContact C-N 3.27Å; P756-D758 PolarHBondContact O-N 2.79Å; P756-D758 VanDerWaalsContact O-N 3.08Å; D758-Q762 WeakPolarHBondContact O-CG 3.4Å; D758-Q762 PolarHBondContact O-NE2 3.2Å; D758-Q762 VanDerWaalsContact O-NE2 3.08Å
759	L	98.3	Very high	98.3	Very high	13 Å²	13	34.8 Å²	34.8	7%	0.068	17%	0.172	C	C	.	.	H	α-helix	trans	-77.6	-43.9	171.8	-59.3	-179.5	0	0	0	110.4	I537 D538 F540 K755 P756 L757 R761 Q762 W763	I537-L759 WeakPolarHBondContact O-CD1 3.3Å; D538-L759 HydrophobicContact CB-CD2 4.23Å; F540-L759 HydrophobicContact CD2-CD2 3.8Å; F540-L759 HydrophobicContact CE2-CB 4.5Å; F540-L759 HydrophobicContact CE2-CD2 4.04Å; K755-L759 HydrophobicContact CB-CB 4.22Å; P756-L759 WeakPolarHBondContact O-CB 3.43Å; P756-L759 PolarHBondContact O-N 2.9Å; L757-L759 VanDerWaalsContact C-N 3.32Å; L757-L759 PolarHBondContact O-N 3.29Å; L759-R761 VanDerWaalsContact C-N 3.34Å; L759-R761 PolarHBondContact O-N 3.24Å; L759-Q762 PolarHBondContact O-N 2.93Å; L759-W763 PolarHBondContact O-N 3.37Å
760	Y	98.6	Very high	98.2	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-61.7	-39.7	179.2	179.3	-152.6	0	0	0	112.3	N752 P753 P756 L757 Q762 W763 T764 Q800 I804 N833 Y837	N752-Y760 HydrophobicContact CB-CD2 4.19Å; N752-Y760 VanDerWaalsContact O-CB 3.31Å; N752-Y760 WeakPolarHBondContact O-CB 3Å; N752-Y760 WeakPolarHBondContact O-CD2 3.37Å; P753-Y760 HydrophobicContact CB-CD1 4.4Å; P753-Y760 HydrophobicContact CB-CD2 4.34Å; P753-Y760 HydrophobicContact CB-CE1 3.82Å; P753-Y760 HydrophobicContact CB-CE2 3.82Å; P753-Y760 HydrophobicContact CG-CD2 4.36Å; P753-Y760 HydrophobicContact CG-CE2 3.67Å; P756-Y760 PolarHBondContact O-N 2.56Å; L757-Y760 PolarHBondContact O-N 2.8Å; Y760-Q762 PolarHBondContact O-N 3.47Å; Y760-W763 PolarHBondContact O-N 2.98Å; Y760-T764 WeakPolarHBondContact CD2-OG1 3.45Å; Y760-T764 WeakPolarHBondContact CE2-OG1 3.28Å; Y760-T764 WeakPolarHBondContact O-CB 3.34Å; Y760-T764 PolarHBondContact O-N 3.01Å; Y760-T764 PolarHBondContact O-OG1 3.15Å; Y760-Q800 WeakPolarHBondContact OH-CB 3.22Å; Y760-Q800 PolarHBondContact OH-OE1 2.69Å; Y760-I804 HydrophobicContact CE1-CD1 4.17Å; Y760-N833 HydrophobicContact CD1-CB 3.91Å; Y760-N833 HydrophobicContact CE1-CB 4.11Å; Y760-Y837 HydrophobicContact CD1-CD2 4.35Å; Y760-Y837 AromaticContact CD1-CE2 3.76Å; Y760-Y837 HydrophobicContact CD1-CE2 3.76Å; Y760-Y837 AromaticContact CE1-CD2 3.65Å; Y760-Y837 HydrophobicContact CE1-CD2 3.65Å; Y760-Y837 AromaticContact CE1-CE2 3.31Å; Y760-Y837 HydrophobicContact CE1-CE2 3.31Å; Y760-Y837 AromaticContact CZ-CE2 3.73Å
761	R	98.2	Very high	98.2	Very high	109 Å²	109	35.6 Å²	35.6	41%	0.411	18%	0.176	S	C	.	.	H	α-helix	trans	-64.1	-39.2	175.3	-72.5	176.3	70.3	-148.5	4.8	112.2	L757 L759 T764 N765 W836	L757-R761 HydrophobicContact CD1-CG 3.97Å; L757-R761 HydrophobicContact CG-CG 4.26Å; L757-R761 WeakPolarHBondContact O-CB 3.32Å; L757-R761 VanDerWaalsContact O-CG 3.29Å; L757-R761 WeakPolarHBondContact O-CG 3.34Å; L757-R761 PolarHBondContact O-N 3.41Å; L759-R761 VanDerWaalsContact C-N 3.34Å; L759-R761 PolarHBondContact O-N 3.24Å; R761-T764 PolarHBondContact O-N 3.32Å; R761-N765 VanDerWaalsContact O-CG 3.24Å; R761-N765 PolarHBondContact O-N 3.22Å; R761-N765 PolarHBondContact O-ND2 2.81Å; R761-N765 PolarHBondContact O-OD1 2.84Å; R761-W836 HydrophobicContact CG-CH2 4.31Å; R761-W836 HydrophobicContact CG-CZ3 4.15Å
762	Q	98.3	Very high	98.2	Very high	72 Å²	72	36.6 Å²	36.6	34%	0.336	18%	0.18	S	C	.	.	H	α-helix	trans	-64.9	-43.5	173.7	-74.2	179.2	86.9	0	0	111.9	F540 D758 L759 Y760 T764 N765 R766	F540-Q762 HydrophobicContact CD2-CB 4.12Å; F540-Q762 HydrophobicContact CD2-CG 4.49Å; F540-Q762 HydrophobicContact CE2-CB 3.46Å; F540-Q762 VanDerWaalsContact CE2-CB 3.46Å; F540-Q762 HydrophobicContact CE2-CG 4.27Å; F540-Q762 HydrophobicContact CZ-CB 3.74Å; D758-Q762 WeakPolarHBondContact O-CG 3.4Å; D758-Q762 PolarHBondContact O-NE2 3.2Å; D758-Q762 VanDerWaalsContact O-NE2 3.08Å; L759-Q762 PolarHBondContact O-N 2.93Å; Y760-Q762 PolarHBondContact O-N 3.47Å; Q762-T764 VanDerWaalsContact C-N 3.35Å; Q762-T764 PolarHBondContact O-N 2.86Å; Q762-N765 PolarHBondContact O-N 3.48Å; Q762-R766 WeakPolarHBondContact O-CG 3.39Å; Q762-R766 PolarHBondContact O-N 3.16Å; Q762-R766 VanDerWaalsContact O-N 3.09Å
763	W	98.7	Very high	98.2	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-39.9	173.3	-77.5	132.5	0	0	0	112.8	I539 F540 Y590 V594 H595 D598 N752 L759 Y760 R766 V767	I539-W763 HydrophobicContact CG2-CZ2 3.76Å; F540-W763 HydrophobicContact CE1-CD2 4.2Å; F540-W763 AromaticContact CE1-CE2 3.98Å; F540-W763 HydrophobicContact CE1-CE3 4.22Å; F540-W763 AromaticContact CE1-CH2 3.76Å; F540-W763 HydrophobicContact CE1-CH2 3.76Å; F540-W763 AromaticContact CE1-CZ2 3.77Å; F540-W763 HydrophobicContact CE1-CZ2 3.77Å; F540-W763 HydrophobicContact CE1-CZ3 4.01Å; F540-W763 AromaticContact CZ-CD2 3.55Å; F540-W763 HydrophobicContact CZ-CD2 3.55Å; F540-W763 AromaticContact CZ-CE2 3.42Å; F540-W763 VanDerWaalsContact CZ-CE2 3.42Å; F540-W763 AromaticContact CZ-CE3 3.98Å; F540-W763 HydrophobicContact CZ-CE3 3.98Å; F540-W763 AromaticContact CZ-CG 3.98Å; F540-W763 HydrophobicContact CZ-CG 3.98Å; F540-W763 HydrophobicContact CZ-CH2 4.06Å; F540-W763 AromaticContact CZ-CZ2 3.7Å; F540-W763 HydrophobicContact CZ-CZ2 3.7Å; F540-W763 HydrophobicContact CZ-CZ3 4.21Å; F540-W763 AromaticContact CZ-NE1 3.85Å; Y590-W763 AromaticContact CD2-CE3 3.7Å; Y590-W763 HydrophobicContact CD2-CE3 3.7Å; Y590-W763 HydrophobicContact CD2-CZ3 4.17Å; Y590-W763 HydrophobicContact CE2-CD2 4.38Å; Y590-W763 AromaticContact CE2-CE3 3.73Å; Y590-W763 HydrophobicContact CE2-CE3 3.73Å; Y590-W763 HydrophobicContact CE2-CZ3 4.33Å; V594-W763 HydrophobicContact CB-CH2 4.24Å; V594-W763 HydrophobicContact CG1-CH2 4.02Å; V594-W763 HydrophobicContact CG1-CZ2 4.45Å; H595-W763 HydrophobicContact CB-CH2 3.88Å; H595-W763 HydrophobicContact CB-CZ3 4Å; D598-W763 HydrophobicContact CB-CZ2 3.88Å; D598-W763 PolarHBondContact OD2-NE1 3.17Å; N752-W763 HydrophobicContact CB-CB 3.84Å; N752-W763 HydrophobicContact CB-CG 3.99Å; N752-W763 VanDerWaalsContact OD1-CD1 3.3Å; N752-W763 PolarHBondContact OD1-NE1 2.87Å; L759-W763 PolarHBondContact O-N 3.37Å; Y760-W763 PolarHBondContact O-N 2.98Å; W763-R766 HydrophobicContact CE3-CB 4.45Å; W763-R766 PolarHBondContact O-N 2.82Å; W763-V767 PolarHBondContact O-N 2.79Å
764	T	98.2	Very high	98.1	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-61.5	-47.5	176.3	-60.5	0	0	0	0	111.1	Y760 R761 Q762 R766 V767 M768 I796 Q800 Y837	Y760-T764 WeakPolarHBondContact CD2-OG1 3.45Å; Y760-T764 WeakPolarHBondContact CE2-OG1 3.28Å; Y760-T764 WeakPolarHBondContact O-CB 3.34Å; Y760-T764 PolarHBondContact O-N 3.01Å; Y760-T764 PolarHBondContact O-OG1 3.15Å; R761-T764 PolarHBondContact O-N 3.32Å; Q762-T764 VanDerWaalsContact C-N 3.35Å; Q762-T764 PolarHBondContact O-N 2.86Å; T764-R766 VanDerWaalsContact C-N 3.27Å; T764-R766 PolarHBondContact O-N 2.8Å; T764-V767 WeakPolarHBondContact O-CG1 3.31Å; T764-V767 PolarHBondContact O-N 3.18Å; T764-M768 HydrophobicContact CG2-CG 4.27Å; T764-M768 WeakPolarHBondContact O-CB 3.24Å; T764-M768 VanDerWaalsContact O-CG 3.27Å; T764-M768 WeakPolarHBondContact O-CG 3.32Å; T764-M768 PolarHBondContact O-N 3.05Å; T764-I796 HydrophobicContact CG2-CG2 3.7Å; T764-Q800 HydrophobicContact CG2-CG 3.75Å; T764-Y837 WeakPolarHBondContact CB-OH 3.43Å; T764-Y837 WeakPolarHBondContact CG2-OH 3.35Å; T764-Y837 PolarHBondContact OG1-OH 3.37Å; T764-Y837 VanDerWaalsContact OG1-OH 3.11Å
765	N	97.8	Very high	98.1	Very high	103 Å²	103	39.4 Å²	39.4	55%	0.551	19%	0.193	S	C	*	.	H	α-helix	trans	-60.4	-39.6	177.1	-67.9	-14.2	0	0	0	111.8	R761 Q762 E769	R761-N765 VanDerWaalsContact O-CG 3.24Å; R761-N765 PolarHBondContact O-N 3.22Å; R761-N765 PolarHBondContact O-ND2 2.81Å; R761-N765 PolarHBondContact O-OD1 2.84Å; Q762-N765 PolarHBondContact O-N 3.48Å; N765-E769 WeakPolarHBondContact O-CB 3.33Å; N765-E769 PolarHBondContact O-N 3.13Å
766	R	98.5	Very high	98	Very high	69 Å²	69	41.2 Å²	41.2	26%	0.26	20%	0.202	S	C	.	.	H	α-helix	trans	-66	-49.9	177.8	-74.7	172.8	177.3	-86.9	9.2	112.6	P589 Y590 Q762 W763 T764 E769 E770	P589-R766 WeakPolarHBondContact CB-O 3.3Å; P589-R766 WeakPolarHBondContact O-CB 3.42Å; P589-R766 WeakPolarHBondContact O-CD 3.42Å; P589-R766 VanDerWaalsContact O-CG 3.28Å; P589-R766 WeakPolarHBondContact O-CG 3.4Å; P589-R766 PolarHBondContact O-NH1 3.4Å; Y590-R766 HydrophobicContact CD2-CB 4.3Å; Q762-R766 WeakPolarHBondContact O-CG 3.39Å; Q762-R766 PolarHBondContact O-N 3.16Å; Q762-R766 VanDerWaalsContact O-N 3.09Å; W763-R766 HydrophobicContact CE3-CB 4.45Å; W763-R766 PolarHBondContact O-N 2.82Å; T764-R766 VanDerWaalsContact C-N 3.27Å; T764-R766 PolarHBondContact O-N 2.8Å; R766-E769 PolarHBondContact O-N 2.92Å; R766-E770 PolarHBondContact O-N 3.04Å
767	V	98	Very high	98	Very high	36 Å²	36	41.7 Å²	41.7	22%	0.218	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-38.7	-179.5	72.6	0	0	0	0	111.3	Y590 W763 T764 E770 L771	Y590-V767 HydrophobicContact CD1-CG2 4.45Å; Y590-V767 HydrophobicContact CD2-CB 3.67Å; Y590-V767 HydrophobicContact CD2-CG2 4.27Å; Y590-V767 HydrophobicContact CE2-CB 4.18Å; Y590-V767 HydrophobicContact CG-CB 3.96Å; Y590-V767 HydrophobicContact CG-CG2 4.21Å; W763-V767 PolarHBondContact O-N 2.79Å; T764-V767 WeakPolarHBondContact O-CG1 3.31Å; T764-V767 PolarHBondContact O-N 3.18Å; V767-E770 PolarHBondContact O-N 2.87Å; V767-L771 HydrophobicContact CG2-CD1 4.23Å; V767-L771 WeakPolarHBondContact O-CB 3.47Å; V767-L771 VanDerWaalsContact O-CG 3.26Å; V767-L771 WeakPolarHBondContact O-CG 3.33Å; V767-L771 PolarHBondContact O-N 2.92Å
768	M	97.6	Very high	98	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.02	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-42.6	175.9	-67.4	-51.6	-47.3	0	0	112.1	T764 E770 L771 F772 A794 I796	T764-M768 HydrophobicContact CG2-CG 4.27Å; T764-M768 WeakPolarHBondContact O-CB 3.24Å; T764-M768 VanDerWaalsContact O-CG 3.27Å; T764-M768 WeakPolarHBondContact O-CG 3.32Å; T764-M768 PolarHBondContact O-N 3.05Å; M768-E770 VanDerWaalsContact C-N 3.33Å; M768-E770 PolarHBondContact O-N 3.4Å; M768-L771 HydrophobicContact CE-CD1 4.46Å; M768-L771 PolarHBondContact O-N 3.46Å; M768-L771 HydrophobicContact SD-CD1 4.22Å; M768-F772 HydrophobicContact CB-CE2 4.05Å; M768-F772 HydrophobicContact CB-CZ 4.13Å; M768-F772 HydrophobicContact CE-CD1 4.33Å; M768-F772 HydrophobicContact CE-CE1 3.42Å; M768-F772 VanDerWaalsContact CE-CE1 3.42Å; M768-F772 HydrophobicContact CE-CE2 4.49Å; M768-F772 HydrophobicContact CE-CZ 3.53Å; M768-F772 WeakPolarHBondContact O-CB 3.23Å; M768-F772 WeakPolarHBondContact O-CD1 3.41Å; M768-F772 VanDerWaalsContact O-CD2 3.22Å; M768-F772 WeakPolarHBondContact O-CD2 3.48Å; M768-F772 WeakPolarHBondContact O-CG 3.24Å; M768-F772 PolarHBondContact O-N 2.81Å; M768-A794 HydrophobicContact CE-CB 4.3Å; M768-I796 HydrophobicContact CE-CG1 4.3Å; M768-I796 HydrophobicContact CG-CD1 4.31Å; M768-I796 HydrophobicContact CG-CG1 4.11Å; M768-I796 HydrophobicContact CG-CG2 3.96Å
769	E	98.2	Very high	97.9	Very high	66 Å²	66	39 Å²	39	31%	0.308	18%	0.177	S	C	.	.	H	α-helix	trans	-64.7	-35.7	176.3	177.4	54.9	-155.3	0	0	112.3	P589 N765 R766 F772 Q773 R791	P589-E769 HydrophobicContact CB-CB 4.24Å; P589-E769 HydrophobicContact CB-CG 4.18Å; P589-E769 HydrophobicContact CG-CB 4.45Å; P589-E769 HydrophobicContact CG-CG 3.97Å; N765-E769 WeakPolarHBondContact O-CB 3.33Å; N765-E769 PolarHBondContact O-N 3.13Å; R766-E769 PolarHBondContact O-N 2.92Å; E769-F772 PolarHBondContact O-N 3.29Å; E769-Q773 VanDerWaalsContact O-CG 3.3Å; E769-Q773 WeakPolarHBondContact O-CG 3.33Å; E769-Q773 PolarHBondContact O-N 2.77Å; E769-Q773 PolarHBondContact OE1-NE2 3.48Å; E769-R791 IonicContact OE1-NH2 3.79Å; E769-R791 IonicContact OE2-NH1 3.23Å; E769-R791 IonicContact OE2-NH2 3.69Å
770	E	98.4	Very high	97.8	Very high	9 Å²	9	46.4 Å²	46.4	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-68.6	-41.8	174.5	-164.9	167.4	137.7	0	0	112.6	N588 P589 Y590 H591 H635 G637 R766 V767 M768 F772 Q773 Q774	N588-E770 VanDerWaalsContact CB-OE2 3.26Å; N588-E770 WeakPolarHBondContact CB-OE2 3.41Å; P589-E770 HydrophobicContact CB-CB 4.09Å; P589-E770 HydrophobicContact CG-CB 4.04Å; Y590-E770 WeakPolarHBondContact CA-OE2 3.13Å; Y590-E770 WeakPolarHBondContact CB-OE2 3.39Å; Y590-E770 PolarHBondContact N-OE2 3.12Å; H591-E770 IonicContact CE1-OE1 2.71Å; H591-E770 IonicContact CG-OE1 2.98Å; H591-E770 PolarHBondContact N-OE2 2.87Å; H591-E770 IonicContact ND1-OE1 3.01Å; H591-E770 PolarHBondContact ND1-OE1 3.06Å; H591-E770 IonicContact ND1-OE2 2.77Å; H635-E770 IonicContact CE1-OE1 3.14Å; H635-E770 IonicContact ND1-OE1 2.77Å; G637-E770 VanDerWaalsContact CA-OE1 3.29Å; G637-E770 WeakPolarHBondContact CA-OE1 3.49Å; R766-E770 PolarHBondContact O-N 3.04Å; V767-E770 PolarHBondContact O-N 2.87Å; M768-E770 VanDerWaalsContact C-N 3.33Å; M768-E770 PolarHBondContact O-N 3.4Å; E770-F772 VanDerWaalsContact C-N 3.32Å; E770-F772 PolarHBondContact O-N 3.07Å; E770-Q773 PolarHBondContact O-N 3.25Å; E770-Q774 PolarHBondContact O-N 3.17Å
771	L	97.5	Very high	97.6	Very high	33 Å²	33	51.1 Å²	51.1	17%	0.173	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-40.3	172.6	-69.7	168.5	0	0	0	111.4	V767 M768 Q773 Q774 G775 I788 C789	V767-L771 HydrophobicContact CG2-CD1 4.23Å; V767-L771 WeakPolarHBondContact O-CB 3.47Å; V767-L771 VanDerWaalsContact O-CG 3.26Å; V767-L771 WeakPolarHBondContact O-CG 3.33Å; V767-L771 PolarHBondContact O-N 2.92Å; M768-L771 HydrophobicContact CE-CD1 4.46Å; M768-L771 PolarHBondContact O-N 3.46Å; M768-L771 HydrophobicContact SD-CD1 4.22Å; L771-Q773 VanDerWaalsContact C-N 3.35Å; L771-Q773 PolarHBondContact O-N 3.17Å; L771-Q774 WeakPolarHBondContact O-CB 3.4Å; L771-Q774 PolarHBondContact O-N 3.34Å; L771-G775 PolarHBondContact O-N 2.88Å; L771-I788 HydrophobicContact CD1-CD1 3.7Å; L771-I788 HydrophobicContact CD1-CG1 4.21Å; L771-C789 VanDerWaalsContact O-CB 3.28Å; L771-C789 WeakPolarHBondContact O-CB 3.22Å
772	F	97.9	Very high	97.4	Very high	22 Å²	22	49.1 Å²	49.1	10%	0.096	25%	0.25	C	C	.	.	H	α-helix	trans	-65.3	-36.9	175	-61.7	-22.1	0	0	0	112.4	M768 E769 E770 Q774 G775 D776 C789 R791 A794	M768-F772 HydrophobicContact CB-CE2 4.05Å; M768-F772 HydrophobicContact CB-CZ 4.13Å; M768-F772 HydrophobicContact CE-CD1 4.33Å; M768-F772 HydrophobicContact CE-CE1 3.42Å; M768-F772 VanDerWaalsContact CE-CE1 3.42Å; M768-F772 HydrophobicContact CE-CE2 4.49Å; M768-F772 HydrophobicContact CE-CZ 3.53Å; M768-F772 WeakPolarHBondContact O-CB 3.23Å; M768-F772 WeakPolarHBondContact O-CD1 3.41Å; M768-F772 VanDerWaalsContact O-CD2 3.22Å; M768-F772 WeakPolarHBondContact O-CD2 3.48Å; M768-F772 WeakPolarHBondContact O-CG 3.24Å; M768-F772 PolarHBondContact O-N 2.81Å; E769-F772 PolarHBondContact O-N 3.29Å; E770-F772 VanDerWaalsContact C-N 3.32Å; E770-F772 PolarHBondContact O-N 3.07Å; F772-Q774 VanDerWaalsContact C-N 3.34Å; F772-G775 PolarHBondContact O-N 3.43Å; F772-D776 WeakPolarHBondContact O-CB 3.33Å; F772-D776 PolarHBondContact O-N 3.48Å; F772-C789 WeakPolarHBondContact CA-O 3.46Å; F772-R791 HydrophobicContact CB-CB 4.13Å; F772-R791 HydrophobicContact CD1-CB 3.87Å; F772-R791 HydrophobicContact CD2-CB 3.86Å; F772-R791 HydrophobicContact CE1-CB 4.2Å; F772-R791 HydrophobicContact CE2-CB 4.19Å; F772-R791 HydrophobicContact CG-CB 3.68Å; F772-R791 HydrophobicContact CZ-CB 4.35Å; F772-A794 HydrophobicContact CE1-CB 3.74Å; F772-A794 HydrophobicContact CZ-CB 4.18Å
773	Q	98	Very high	97.1	Very high	68 Å²	68	48.7 Å²	48.7	32%	0.318	25%	0.249	S	C	.	.	H	α-helix	trans	-67.2	-31.9	172	-72.5	174.4	20.9	0	0	112.7	E769 E770 L771 K777	E769-Q773 VanDerWaalsContact O-CG 3.3Å; E769-Q773 WeakPolarHBondContact O-CG 3.33Å; E769-Q773 PolarHBondContact O-N 2.77Å; E769-Q773 PolarHBondContact OE1-NE2 3.48Å; E770-Q773 PolarHBondContact O-N 3.25Å; L771-Q773 VanDerWaalsContact C-N 3.35Å; L771-Q773 PolarHBondContact O-N 3.17Å; Q773-K777 WeakPolarHBondContact O-CD 3.38Å; Q773-K777 VanDerWaalsContact O-CG 3.27Å; Q773-K777 WeakPolarHBondContact O-CG 3.25Å; Q773-K777 PolarHBondContact O-N 3.45Å
774	Q	98	Very high	96.9	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.019	29%	0.29	C	S	.	.	H	α-helix	trans	-65.6	-48	167.7	-173.3	-175.3	-68.3	0	0	110.7	V638 T639 Y642 E770 L771 F772 D776 K777 E778 S786	V638-Q774 HydrophobicContact CB-CG 4.31Å; V638-Q774 HydrophobicContact CG1-CB 4.25Å; V638-Q774 HydrophobicContact CG1-CG 3.95Å; T639-Q774 PolarHBondContact OG1-NE2 3.46Å; T639-Q774 PolarHBondContact OG1-OE1 3.04Å; Y642-Q774 HydrophobicContact CD2-CG 3.61Å; Y642-Q774 HydrophobicContact CE2-CG 4.23Å; Y642-Q774 HydrophobicContact CG-CG 4.13Å; E770-Q774 PolarHBondContact O-N 3.17Å; L771-Q774 WeakPolarHBondContact O-CB 3.4Å; L771-Q774 PolarHBondContact O-N 3.34Å; F772-Q774 VanDerWaalsContact C-N 3.34Å; Q774-D776 VanDerWaalsContact C-N 3.26Å; Q774-D776 PolarHBondContact O-N 3.07Å; Q774-K777 WeakPolarHBondContact O-CB 3.48Å; Q774-K777 PolarHBondContact O-N 3.36Å; Q774-K777 VanDerWaalsContact O-N 3.08Å; Q774-E778 HydrophobicContact CG-CG 4.35Å; Q774-E778 PolarHBondContact NE2-OE1 3.03Å; Q774-E778 WeakPolarHBondContact O-CG 3.4Å; Q774-E778 PolarHBondContact O-N 2.83Å; Q774-S786 PolarHBondContact NE2-OG 2.93Å
775	G	97.6	Very high	96.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-30.7	-179.4	0	0	0	0	0	114	L771 F772 E778 R779	L771-G775 PolarHBondContact O-N 2.88Å; F772-G775 PolarHBondContact O-N 3.43Å; G775-E778 WeakPolarHBondContact CA-OE2 3.44Å; G775-R779 WeakPolarHBondContact O-CB 3.34Å; G775-R779 PolarHBondContact O-N 3.41Å
776	D	97.3	Very high	96.6	Very high	39 Å²	39	55.9 Å²	55.9	21%	0.209	28%	0.284	C	S	.	.	H	α-helix	trans	-67.7	-43.8	171.8	-65.4	-23.1	0	0	0	111.6	F772 Q774 R779 E780 R791	F772-D776 WeakPolarHBondContact O-CB 3.33Å; F772-D776 PolarHBondContact O-N 3.48Å; Q774-D776 VanDerWaalsContact C-N 3.26Å; Q774-D776 PolarHBondContact O-N 3.07Å; D776-R779 PolarHBondContact O-N 3.4Å; D776-R779 IonicContact OD1-CZ 3.72Å; D776-R779 IonicContact OD1-NH1 3.49Å; D776-R779 PolarHBondContact OD1-NH1 3.31Å; D776-R779 IonicContact OD1-NH2 3.21Å; D776-R779 PolarHBondContact OD1-NH2 2.83Å; D776-E780 WeakPolarHBondContact O-CG 3.5Å; D776-E780 PolarHBondContact O-N 2.98Å; D776-R791 IonicContact OD1-NE 3.18Å; D776-R791 PolarHBondContact OD1-NE 3.07Å; D776-R791 IonicContact OD2-CZ 3.84Å; D776-R791 VanDerWaalsContact OD2-CZ 3.3Å; D776-R791 IonicContact OD2-NE 3.89Å; D776-R791 PolarHBondContact OD2-NE 3.25Å; D776-R791 VanDerWaalsContact OD2-NE 3.14Å; D776-R791 IonicContact OD2-NH2 3.62Å; D776-R791 PolarHBondContact OD2-NH2 3.22Å
777	K	97.1	Very high	96.2	Very high	64 Å²	64	58.1 Å²	58.1	28%	0.278	31%	0.307	S	S	.	.	H	α-helix	trans	-61.7	-42.2	173.2	-64.3	162.4	-168.3	169.1	0	111.9	G637 V638 Y642 Q773 Q774 R779 E780 L781	G637-K777 PolarHBondContact O-NZ 3.48Å; V638-K777 HydrophobicContact CG1-CD 3.83Å; Y642-K777 HydrophobicContact CE2-CB 4.01Å; Q773-K777 WeakPolarHBondContact O-CD 3.38Å; Q773-K777 VanDerWaalsContact O-CG 3.27Å; Q773-K777 WeakPolarHBondContact O-CG 3.25Å; Q773-K777 PolarHBondContact O-N 3.45Å; Q774-K777 WeakPolarHBondContact O-CB 3.48Å; Q774-K777 PolarHBondContact O-N 3.36Å; Q774-K777 VanDerWaalsContact O-N 3.08Å; K777-R779 VanDerWaalsContact C-N 3.33Å; K777-R779 PolarHBondContact O-N 2.85Å; K777-E780 PolarHBondContact O-N 3.22Å; K777-L781 WeakPolarHBondContact O-CG 3.47Å; K777-L781 PolarHBondContact O-N 2.73Å
778	E	97.7	Very high	95.9	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-60.1	-44.3	176	-70.8	168.6	162.3	0	0	111.1	Y642 Q774 G775 L781 G782 I783 I785 S786	Y642-E778 HydrophobicContact CD2-CG 3.72Å; Y642-E778 HydrophobicContact CE2-CG 3.81Å; Q774-E778 HydrophobicContact CG-CG 4.35Å; Q774-E778 PolarHBondContact NE2-OE1 3.03Å; Q774-E778 WeakPolarHBondContact O-CG 3.4Å; Q774-E778 PolarHBondContact O-N 2.83Å; G775-E778 WeakPolarHBondContact CA-OE2 3.44Å; E778-L781 PolarHBondContact O-N 2.89Å; E778-G782 PolarHBondContact O-N 3.41Å; E778-G782 VanDerWaalsContact O-N 3.09Å; E778-I783 HydrophobicContact CB-CD1 4.22Å; E778-I783 HydrophobicContact CB-CG1 3.85Å; E778-I783 HydrophobicContact CG-CD1 3.93Å; E778-I783 HydrophobicContact CG-CG1 4.11Å; E778-I783 WeakPolarHBondContact O-CG1 3.39Å; E778-I783 PolarHBondContact O-N 3.34Å; E778-I783 VanDerWaalsContact O-N 3.13Å; E778-I785 HydrophobicContact CB-CG1 4.37Å; E778-I785 WeakPolarHBondContact OE2-CA 3.49Å; E778-S786 WeakPolarHBondContact OE1-CB 3.4Å; E778-S786 PolarHBondContact OE1-OG 3.05Å; E778-S786 WeakPolarHBondContact OE2-CB 3Å; E778-S786 PolarHBondContact OE2-N 3.25Å
779	R	95.6	Very high	95.8	Very high	101 Å²	101	60.2 Å²	60.2	38%	0.381	32%	0.316	S	S	.	.	H	α-helix	trans	-64.4	-38.7	176.1	-160.5	-176.6	-52.8	103.5	-1.3	112.7	G775 D776 K777 G782 I785 D790	G775-R779 WeakPolarHBondContact O-CB 3.34Å; G775-R779 PolarHBondContact O-N 3.41Å; D776-R779 PolarHBondContact O-N 3.4Å; D776-R779 IonicContact OD1-CZ 3.72Å; D776-R779 IonicContact OD1-NH1 3.49Å; D776-R779 PolarHBondContact OD1-NH1 3.31Å; D776-R779 IonicContact OD1-NH2 3.21Å; D776-R779 PolarHBondContact OD1-NH2 2.83Å; K777-R779 VanDerWaalsContact C-N 3.33Å; K777-R779 PolarHBondContact O-N 2.85Å; R779-G782 PolarHBondContact O-N 3.22Å; R779-I785 HydrophobicContact CB-CD1 3.94Å; R779-I785 HydrophobicContact CB-CG1 4.29Å; R779-I785 HydrophobicContact CG-CD1 4.04Å; R779-D790 IonicContact CZ-OD1 2.68Å; R779-D790 IonicContact NH2-OD1 3.28Å; R779-D790 PolarHBondContact NH2-OD1 3.45Å
780	E	96.1	Very high	95.6	Very high	168 Å²	168	58.1 Å²	58.1	79%	0.785	31%	0.307	S	S	*	.	H	α-helix	trans	-66.8	-37	175.3	-75.6	179.6	-178.5	0	0	112.9	D776 K777 G782	D776-E780 WeakPolarHBondContact O-CG 3.5Å; D776-E780 PolarHBondContact O-N 2.98Å; K777-E780 PolarHBondContact O-N 3.22Å; E780-G782 VanDerWaalsContact C-N 3.28Å; E780-G782 PolarHBondContact O-N 3.23Å
781	L	95	Very high	95.4	Very high	102 Å²	102	62.5 Å²	62.5	53%	0.534	32%	0.323	S	S	.	.	H	α-helix	trans	-77.8	-10.9	176.3	-68.7	174.5	0	0	0	113.5	Y642 T646 K777 E778 I783	Y642-L781 HydrophobicContact CE2-CD1 4.47Å; Y642-L781 WeakPolarHBondContact OH-CD1 3.4Å; T646-L781 HydrophobicContact CG2-CD1 3.67Å; K777-L781 WeakPolarHBondContact O-CG 3.47Å; K777-L781 PolarHBondContact O-N 2.73Å; E778-L781 PolarHBondContact O-N 2.89Å; L781-I783 VanDerWaalsContact C-N 3.28Å; L781-I783 HydrophobicContact CB-CD1 4.49Å; L781-I783 HydrophobicContact CB-CG1 4.2Å; L781-I783 HydrophobicContact CD1-CD1 4.42Å; L781-I783 PolarHBondContact O-N 3.33Å
782	G	93.9	Very high	95.1	Very high	68 Å²	68	66.8 Å²	66.8	70%	0.701	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	23.3	-178	0	0	0	0	0	113.9	E778 R779 E780	E778-G782 PolarHBondContact O-N 3.41Å; E778-G782 VanDerWaalsContact O-N 3.09Å; R779-G782 PolarHBondContact O-N 3.22Å; E780-G782 VanDerWaalsContact C-N 3.28Å; E780-G782 PolarHBondContact O-N 3.23Å
783	I	92.8	Very high	94.8	Very high	63 Å²	63	70.8 Å²	70.8	32%	0.323	37%	0.373	S	S	.	.	S	Bend	trans	-91.6	163.1	172.2	58.5	177.7	0	0	0	110.3	T646 E778 L781 I785	T646-I783 HydrophobicContact CG2-CD1 4.15Å; E778-I783 HydrophobicContact CB-CD1 4.22Å; E778-I783 HydrophobicContact CB-CG1 3.85Å; E778-I783 HydrophobicContact CG-CD1 3.93Å; E778-I783 HydrophobicContact CG-CG1 4.11Å; E778-I783 WeakPolarHBondContact O-CG1 3.39Å; E778-I783 PolarHBondContact O-N 3.34Å; E778-I783 VanDerWaalsContact O-N 3.13Å; L781-I783 VanDerWaalsContact C-N 3.28Å; L781-I783 HydrophobicContact CB-CD1 4.49Å; L781-I783 HydrophobicContact CB-CG1 4.2Å; L781-I783 HydrophobicContact CD1-CD1 4.42Å; L781-I783 PolarHBondContact O-N 3.33Å; I783-I785 PolarHBondContact O-N 2.9Å
784	E	94	Very high	94.3	Very high	184 Å²	184	68.8 Å²	68.8	86%	0.86	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-61	128.1	175.1	-174.9	169.3	-169.1	0	0	109.6	S786	E784-S786 PolarHBondContact O-N 3.06Å
785	I	95.3	Very high	94.1	Very high	46 Å²	46	72.1 Å²	72.1	24%	0.236	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-71.2	128.1	179.7	-56.2	172.8	0	0	0	108	E778 R779 I783 C789 D790	E778-I785 HydrophobicContact CB-CG1 4.37Å; E778-I785 WeakPolarHBondContact OE2-CA 3.49Å; R779-I785 HydrophobicContact CB-CD1 3.94Å; R779-I785 HydrophobicContact CB-CG1 4.29Å; R779-I785 HydrophobicContact CG-CD1 4.04Å; I783-I785 PolarHBondContact O-N 2.9Å; I785-C789 HydrophobicContact CG2-CB 4.06Å; I785-D790 HydrophobicContact CD1-CB 4.34Å; I785-D790 HydrophobicContact CG2-CB 3.86Å
786	S	94.3	Very high	93.9	Very high	27 Å²	27	74.3 Å²	74.3	19%	0.189	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-56.7	147.6	179.8	-73.3	0	0	0	0	111.2	Q774 E778 E784 I788 C789	Q774-S786 PolarHBondContact NE2-OG 2.93Å; E778-S786 WeakPolarHBondContact OE1-CB 3.4Å; E778-S786 PolarHBondContact OE1-OG 3.05Å; E778-S786 WeakPolarHBondContact OE2-CB 3Å; E778-S786 PolarHBondContact OE2-N 3.25Å; E784-S786 PolarHBondContact O-N 3.06Å; S786-I788 PolarHBondContact O-N 3.34Å; S786-C789 WeakPolarHBondContact O-CB 3.39Å; S786-C789 PolarHBondContact O-N 2.95Å; S786-C789 VanDerWaalsContact O-N 3.1Å
787	P	91	Very high	93.8	Very high	115 Å²	115	74.7 Å²	74.7	75%	0.747	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	143.2	172.1	-26.9	34.9	0	0	0	111.3	C789	P787-C789 PolarHBondContact O-N 3.39Å
788	I	91.6	Very high	93.7	Very high	81 Å²	81	77.6 Å²	77.6	42%	0.415	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	-6.4	-175.5	71.9	165.1	0	0	0	117.4	L771 S786 S799	L771-I788 HydrophobicContact CD1-CD1 3.7Å; L771-I788 HydrophobicContact CD1-CG1 4.21Å; S786-I788 PolarHBondContact O-N 3.34Å; I788-S799 WeakPolarHBondContact CG2-OG 3.48Å
789	C	94.3	Very high	93.5	Very high	3 Å²	3	78.5 Å²	78.5	2%	0.02	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-14.4	178.5	-64.3	0	0	0	0	114.3	L771 F772 I785 S786 P787 R791	L771-C789 VanDerWaalsContact O-CB 3.28Å; L771-C789 WeakPolarHBondContact O-CB 3.22Å; F772-C789 WeakPolarHBondContact CA-O 3.46Å; I785-C789 HydrophobicContact CG2-CB 4.06Å; S786-C789 WeakPolarHBondContact O-CB 3.39Å; S786-C789 PolarHBondContact O-N 2.95Å; S786-C789 VanDerWaalsContact O-N 3.1Å; P787-C789 PolarHBondContact O-N 3.39Å; C789-R791 PolarHBondContact O-N 2.92Å
790	D	94.8	Very high	93.6	Very high	23 Å²	23	74.3 Å²	74.3	12%	0.123	40%	0.404	C	S	.	.			trans	-85.3	108.6	175.5	179.4	43.6	0	0	0	112.2	R779 I785 N792 T793 A794	R779-D790 IonicContact CZ-OD1 2.68Å; R779-D790 IonicContact NH2-OD1 3.28Å; R779-D790 PolarHBondContact NH2-OD1 3.45Å; I785-D790 HydrophobicContact CD1-CB 4.34Å; I785-D790 HydrophobicContact CG2-CB 3.86Å; D790-N792 PolarHBondContact O-N 2.84Å; D790-N792 PolarHBondContact OD1-ND2 3.34Å; D790-T793 WeakPolarHBondContact CB-OG1 3.4Å; D790-T793 PolarHBondContact O-N 3.49Å; D790-T793 WeakPolarHBondContact OD2-CG2 3.26Å; D790-T793 PolarHBondContact OD2-N 3.04Å; D790-T793 PolarHBondContact OD2-OG1 2.86Å; D790-A794 WeakPolarHBondContact O-CB 3.26Å; D790-A794 PolarHBondContact O-N 3.42Å
791	R	93.6	Very high	93.6	Very high	100 Å²	100	66.9 Å²	66.9	38%	0.377	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-15.6	176.8	61.5	173.8	72.1	-115.2	6	115.5	E769 F772 D776 C789	E769-R791 IonicContact OE1-NH2 3.79Å; E769-R791 IonicContact OE2-NH1 3.23Å; E769-R791 IonicContact OE2-NH2 3.69Å; F772-R791 HydrophobicContact CB-CB 4.13Å; F772-R791 HydrophobicContact CD1-CB 3.87Å; F772-R791 HydrophobicContact CD2-CB 3.86Å; F772-R791 HydrophobicContact CE1-CB 4.2Å; F772-R791 HydrophobicContact CE2-CB 4.19Å; F772-R791 HydrophobicContact CG-CB 3.68Å; F772-R791 HydrophobicContact CZ-CB 4.35Å; D776-R791 IonicContact OD1-NE 3.18Å; D776-R791 PolarHBondContact OD1-NE 3.07Å; D776-R791 IonicContact OD2-CZ 3.84Å; D776-R791 VanDerWaalsContact OD2-CZ 3.3Å; D776-R791 IonicContact OD2-NE 3.89Å; D776-R791 PolarHBondContact OD2-NE 3.25Å; D776-R791 VanDerWaalsContact OD2-NE 3.14Å; D776-R791 IonicContact OD2-NH2 3.62Å; D776-R791 PolarHBondContact OD2-NH2 3.22Å; C789-R791 PolarHBondContact O-N 2.92Å
792	N	91.3	Very high	93.6	Very high	123 Å²	123	64.4 Å²	64.4	66%	0.658	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-17	-179.3	-49.4	-76.9	0	0	0	113.9	D790	D790-N792 PolarHBondContact O-N 2.84Å; D790-N792 PolarHBondContact OD1-ND2 3.34Å
793	T	90.9	Very high	93.8	Very high	107 Å²	107	64.8 Å²	64.8	66%	0.656	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	-15	-173.9	54.2	0	0	0	0	113.8	D790	D790-T793 WeakPolarHBondContact CB-OG1 3.4Å; D790-T793 PolarHBondContact O-N 3.49Å; D790-T793 WeakPolarHBondContact OD2-CG2 3.26Å; D790-T793 PolarHBondContact OD2-N 3.04Å; D790-T793 PolarHBondContact OD2-OG1 2.86Å
794	A	89.2	Confident	94	Very high	25 Å²	25	61.8 Å²	61.8	21%	0.207	33%	0.329	C	S	.	.			trans	-64.4	135.3	175.8	0	0	0	0	0	112.4	M768 F772 D790	M768-A794 HydrophobicContact CE-CB 4.3Å; F772-A794 HydrophobicContact CE1-CB 3.74Å; F772-A794 HydrophobicContact CZ-CB 4.18Å; D790-A794 WeakPolarHBondContact O-CB 3.26Å; D790-A794 PolarHBondContact O-N 3.42Å
795	T	92.7	Very high	94.2	Very high	75 Å²	75	55.9 Å²	55.9	46%	0.46	30%	0.303	S	S	.	.			trans	-109.1	96.4	172.6	40.3	0	0	0	0	109.1	E797 K798 S799	T795-E797 PolarHBondContact O-N 3.21Å; T795-K798 PolarHBondContact O-N 3.02Å; T795-S799 PolarHBondContact O-N 3.04Å; T795-S799 PolarHBondContact O-OG 2.77Å; T795-S799 VanDerWaalsContact O-OG 3.06Å
796	I	94.2	Very high	94.2	Very high	45 Å²	45	59.3 Å²	59.3	23%	0.231	31%	0.314	C	S	.	.	H	α-helix	trans	-55.1	-51.1	-167.5	-62.4	176.9	0	0	0	111.2	T764 M768 K798 S799 Q800	T764-I796 HydrophobicContact CG2-CG2 3.7Å; M768-I796 HydrophobicContact CE-CG1 4.3Å; M768-I796 HydrophobicContact CG-CD1 4.31Å; M768-I796 HydrophobicContact CG-CG1 4.11Å; M768-I796 HydrophobicContact CG-CG2 3.96Å; I796-K798 VanDerWaalsContact C-N 3.33Å; I796-K798 PolarHBondContact O-N 3.27Å; I796-S799 WeakPolarHBondContact O-CB 3.29Å; I796-S799 PolarHBondContact O-N 3.49Å; I796-Q800 HydrophobicContact CG2-CG 4.47Å; I796-Q800 WeakPolarHBondContact O-CG 3.48Å; I796-Q800 PolarHBondContact O-N 2.94Å
797	E	95.1	Very high	94.3	Very high	47 Å²	47	60.1 Å²	60.1	22%	0.22	32%	0.316	C	S	.	.	H	α-helix	trans	-65.3	-39.6	-174.8	-52.6	74.5	-165.3	0	0	111.3	T795 Q800 V801 Y837 Q840 I841	T795-E797 PolarHBondContact O-N 3.21Å; E797-Q800 PolarHBondContact O-N 2.93Å; E797-V801 WeakPolarHBondContact O-CG2 3.36Å; E797-V801 PolarHBondContact O-N 3.08Å; E797-Y837 HydrophobicContact CB-CD1 3.95Å; E797-Y837 HydrophobicContact CG-CD1 4.02Å; E797-Y837 HydrophobicContact CG-CE1 4.49Å; E797-Q840 HydrophobicContact CG-CB 3.85Å; E797-I841 HydrophobicContact CB-CD1 4.31Å; E797-I841 HydrophobicContact CB-CG1 3.55Å
798	K	94	Very high	94.6	Very high	125 Å²	125	54.7 Å²	54.7	54%	0.543	28%	0.28	S	S	.	.	H	α-helix	trans	-69.2	-36.6	178.5	-153.8	176.7	-172.2	177.9	0	111.6	T795 I796 S802 I841	T795-K798 PolarHBondContact O-N 3.02Å; I796-K798 VanDerWaalsContact C-N 3.33Å; I796-K798 PolarHBondContact O-N 3.27Å; K798-S802 WeakPolarHBondContact O-CB 3.48Å; K798-S802 PolarHBondContact O-N 3.08Å; K798-S802 VanDerWaalsContact O-N 3.09Å; K798-S802 PolarHBondContact O-OG 3.16Å; K798-I841 HydrophobicContact CB-CD1 4.16Å; K798-I841 HydrophobicContact CG-CD1 4.3Å
799	S	94.3	Very high	94.9	Very high	21 Å²	21	53 Å²	53	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-45.5	171.2	-60.8	0	0	0	0	111.4	I788 T795 I796 S802 F803	I788-S799 WeakPolarHBondContact CG2-OG 3.48Å; T795-S799 PolarHBondContact O-N 3.04Å; T795-S799 PolarHBondContact O-OG 2.77Å; T795-S799 VanDerWaalsContact O-OG 3.06Å; I796-S799 WeakPolarHBondContact O-CB 3.29Å; I796-S799 PolarHBondContact O-N 3.49Å; S799-S802 PolarHBondContact O-N 3.5Å; S799-F803 VanDerWaalsContact O-CB 3.31Å; S799-F803 WeakPolarHBondContact O-CB 3.49Å; S799-F803 PolarHBondContact O-N 3.37Å
800	Q	97.3	Very high	95	Very high	13 Å²	13	53.9 Å²	53.9	6%	0.061	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-47.1	177.3	-68.3	-43.4	-56.5	0	0	112.4	Y760 T764 I796 E797 S802 F803 I804 Y837	Y760-Q800 WeakPolarHBondContact OH-CB 3.22Å; Y760-Q800 PolarHBondContact OH-OE1 2.69Å; T764-Q800 HydrophobicContact CG2-CG 3.75Å; I796-Q800 HydrophobicContact CG2-CG 4.47Å; I796-Q800 WeakPolarHBondContact O-CG 3.48Å; I796-Q800 PolarHBondContact O-N 2.94Å; E797-Q800 PolarHBondContact O-N 2.93Å; Q800-S802 VanDerWaalsContact C-N 3.3Å; Q800-S802 PolarHBondContact O-N 2.92Å; Q800-F803 PolarHBondContact O-N 2.77Å; Q800-I804 WeakPolarHBondContact O-CG1 3.44Å; Q800-I804 PolarHBondContact O-N 3.12Å; Q800-Y837 HydrophobicContact CB-CD1 4.04Å; Q800-Y837 HydrophobicContact CB-CD2 4.22Å; Q800-Y837 HydrophobicContact CB-CE1 4.28Å; Q800-Y837 HydrophobicContact CB-CE2 4.49Å; Q800-Y837 HydrophobicContact CB-CG 4Å; Q800-Y837 HydrophobicContact CG-CD1 4.21Å; Q800-Y837 HydrophobicContact CG-CE1 3.94Å; Q800-Y837 HydrophobicContact CG-CE2 4.39Å
801	V	97	Very high	95.2	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-42.4	175.7	173.1	0	0	0	0	111.5	E797 I804 D805 I841	E797-V801 WeakPolarHBondContact O-CG2 3.36Å; E797-V801 PolarHBondContact O-N 3.08Å; V801-I804 PolarHBondContact O-N 2.95Å; V801-D805 WeakPolarHBondContact O-CB 3.27Å; V801-D805 PolarHBondContact O-N 2.85Å; V801-I841 HydrophobicContact CB-CD1 4.47Å; V801-I841 HydrophobicContact CG2-CD1 3.98Å
802	S	95.1	Very high	95.4	Very high	51 Å²	51	48.1 Å²	48.1	36%	0.357	25%	0.253	S	S	.	.	H	α-helix	trans	-66.4	-43.1	178.5	-56.2	0	0	0	0	111.9	K798 S799 Q800 I804 D805 Y806	K798-S802 WeakPolarHBondContact O-CB 3.48Å; K798-S802 PolarHBondContact O-N 3.08Å; K798-S802 VanDerWaalsContact O-N 3.09Å; K798-S802 PolarHBondContact O-OG 3.16Å; S799-S802 PolarHBondContact O-N 3.5Å; Q800-S802 VanDerWaalsContact C-N 3.3Å; Q800-S802 PolarHBondContact O-N 2.92Å; S802-I804 VanDerWaalsContact C-N 3.33Å; S802-I804 PolarHBondContact O-N 3.38Å; S802-D805 PolarHBondContact O-N 3.48Å; S802-Y806 WeakPolarHBondContact O-CB 3.45Å; S802-Y806 WeakPolarHBondContact O-CD2 3.36Å; S802-Y806 PolarHBondContact O-N 3.19Å
803	F	97	Very high	95.6	Very high	75 Å²	75	46 Å²	46	33%	0.329	24%	0.239	S	C	.	.	H	α-helix	trans	-61.3	-41.7	176.8	-179.3	-124.6	0	0	0	111.8	L750 P753 S799 Q800 I807 V808	L750-F803 HydrophobicContact CD2-CZ 4.03Å; P753-F803 HydrophobicContact CG-CD1 4.21Å; P753-F803 HydrophobicContact CG-CE1 4.01Å; S799-F803 VanDerWaalsContact O-CB 3.31Å; S799-F803 WeakPolarHBondContact O-CB 3.49Å; S799-F803 PolarHBondContact O-N 3.37Å; Q800-F803 PolarHBondContact O-N 2.77Å; F803-I807 HydrophobicContact CD2-CB 3.99Å; F803-I807 HydrophobicContact CD2-CG1 4.11Å; F803-I807 HydrophobicContact CD2-CG2 4.34Å; F803-I807 HydrophobicContact CE2-CB 4.09Å; F803-I807 HydrophobicContact CE2-CG1 4.44Å; F803-I807 HydrophobicContact CE2-CG2 3.92Å; F803-I807 WeakPolarHBondContact O-CB 3.15Å; F803-I807 PolarHBondContact O-N 2.95Å; F803-V808 HydrophobicContact CD1-CG2 3.75Å; F803-V808 HydrophobicContact CD2-CG2 4.28Å; F803-V808 HydrophobicContact CE1-CG2 3.43Å; F803-V808 VanDerWaalsContact CE1-CG2 3.43Å; F803-V808 HydrophobicContact CE2-CG2 4Å; F803-V808 HydrophobicContact CG-CG2 4.17Å; F803-V808 HydrophobicContact CZ-CG2 3.58Å; F803-V808 PolarHBondContact O-N 3.1Å
804	I	98	Very high	95.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	I	π-helix	trans	-65.7	-53.3	174.2	-61.8	167.7	0	0	0	111.1	P753 Y760 Q800 V801 S802 Y806 V808 H809 L830 R834	P753-I804 HydrophobicContact CB-CD1 3.99Å; P753-I804 HydrophobicContact CB-CG1 3.81Å; P753-I804 HydrophobicContact CG-CG1 4.42Å; Y760-I804 HydrophobicContact CE1-CD1 4.17Å; Q800-I804 WeakPolarHBondContact O-CG1 3.44Å; Q800-I804 PolarHBondContact O-N 3.12Å; V801-I804 PolarHBondContact O-N 2.95Å; S802-I804 VanDerWaalsContact C-N 3.33Å; S802-I804 PolarHBondContact O-N 3.38Å; I804-Y806 VanDerWaalsContact C-N 3.29Å; I804-Y806 PolarHBondContact O-N 3.12Å; I804-V808 PolarHBondContact O-N 2.98Å; I804-H809 HydrophobicContact CG2-CB 3.98Å; I804-H809 WeakPolarHBondContact O-CB 3.3Å; I804-H809 PolarHBondContact O-N 3.47Å; I804-L830 HydrophobicContact CD1-CD1 4.26Å; I804-L830 HydrophobicContact CG1-CD1 4.1Å; I804-L830 HydrophobicContact CG2-CD1 3.74Å; I804-L830 HydrophobicContact CG2-CD2 4.5Å; I804-L830 HydrophobicContact CG2-CG 4.03Å; I804-R834 HydrophobicContact CB-CB 4.43Å; I804-R834 HydrophobicContact CB-CG 4.11Å; I804-R834 HydrophobicContact CD1-CB 3.78Å; I804-R834 HydrophobicContact CD1-CG 4.19Å; I804-R834 HydrophobicContact CG2-CB 3.92Å; I804-R834 HydrophobicContact CG2-CG 3.8Å
805	D	97.2	Very high	96.1	Very high	61 Å²	61	40.1 Å²	40.1	33%	0.326	20%	0.2	S	C	.	.	I	π-helix	trans	-62.6	-32.3	-173.4	-77.1	-6.3	0	0	0	113.4	V801 S802 R834	V801-D805 WeakPolarHBondContact O-CB 3.27Å; V801-D805 PolarHBondContact O-N 2.85Å; S802-D805 PolarHBondContact O-N 3.48Å; D805-R834 IonicContact OD1-CZ 3.6Å; D805-R834 IonicContact OD1-NE 2.82Å; D805-R834 PolarHBondContact OD1-NE 3.35Å; D805-R834 IonicContact OD1-NH2 2.76Å; D805-R834 PolarHBondContact OD1-NH2 3.38Å; D805-R834 IonicContact OD2-CZ 2.63Å; D805-R834 IonicContact OD2-NE 3.35Å; D805-R834 IonicContact OD2-NH2 2.72Å; D805-R834 PolarHBondContact OD2-NH2 2.97Å
806	Y	94.8	Very high	96.2	Very high	117 Å²	117	36.6 Å²	36.6	46%	0.459	18%	0.179	S	C	.	.	I	π-helix	trans	-105.2	-26.4	-174	-61.9	-61.6	0	0	0	115.6	S802 I804	S802-Y806 WeakPolarHBondContact O-CB 3.45Å; S802-Y806 WeakPolarHBondContact O-CD2 3.36Å; S802-Y806 PolarHBondContact O-N 3.19Å; I804-Y806 VanDerWaalsContact C-N 3.29Å; I804-Y806 PolarHBondContact O-N 3.12Å
807	I	96.4	Very high	96.1	Very high	45 Å²	45	36.3 Å²	36.3	23%	0.231	18%	0.178	C	C	.	.	I	π-helix	trans	-119.2	-58.9	-173.8	-55.1	-62	0	0	0	111.1	H707 M708 L750 F803 L811	H707-I807 VanDerWaalsContact CE1-CG2 3.41Å; H707-I807 WeakPolarHBondContact CE1-CG2 3.43Å; H707-I807 PolarHBondContact CE1-O 2.96Å; H707-I807 VanDerWaalsContact CE1-O 3.31Å; M708-I807 HydrophobicContact CE-CD1 4.08Å; L750-I807 HydrophobicContact CD1-CG2 4.18Å; F803-I807 HydrophobicContact CD2-CB 3.99Å; F803-I807 HydrophobicContact CD2-CG1 4.11Å; F803-I807 HydrophobicContact CD2-CG2 4.34Å; F803-I807 HydrophobicContact CE2-CB 4.09Å; F803-I807 HydrophobicContact CE2-CG1 4.44Å; F803-I807 HydrophobicContact CE2-CG2 3.92Å; F803-I807 WeakPolarHBondContact O-CB 3.15Å; F803-I807 PolarHBondContact O-N 2.95Å; I807-L811 PolarHBondContact O-N 3.41Å
808	V	98	Very high	95.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.	I	π-helix	trans	-79.9	-43.3	-166.3	-175.9	0	0	0	0	112.3	P753 F803 I804 L811 W812 L830	P753-V808 HydrophobicContact CB-CG1 4.19Å; P753-V808 HydrophobicContact CG-CG1 4.13Å; P753-V808 HydrophobicContact CG-CG2 4.23Å; F803-V808 HydrophobicContact CD1-CG2 3.75Å; F803-V808 HydrophobicContact CD2-CG2 4.28Å; F803-V808 HydrophobicContact CE1-CG2 3.43Å; F803-V808 VanDerWaalsContact CE1-CG2 3.43Å; F803-V808 HydrophobicContact CE2-CG2 4Å; F803-V808 HydrophobicContact CG-CG2 4.17Å; F803-V808 HydrophobicContact CZ-CG2 3.58Å; F803-V808 PolarHBondContact O-N 3.1Å; I804-V808 PolarHBondContact O-N 2.98Å; V808-L811 PolarHBondContact O-N 3.47Å; V808-W812 VanDerWaalsContact CG1-CD1 3.47Å; V808-W812 PolarHBondContact O-N 2.91Å; V808-L830 HydrophobicContact CG1-CD1 4Å; V808-L830 HydrophobicContact CG1-CD2 4.12Å
809	H	97.6	Very high	95.8	Very high	45 Å²	45	28.2 Å²	28.2	21%	0.208	14%	0.142	C	C	.	.	H	α-helix	trans	-64.4	-46.3	177.4	-175.8	-53.4	0	0	0	112.8	I804 L811 W812 E813 L830	I804-H809 HydrophobicContact CG2-CB 3.98Å; I804-H809 WeakPolarHBondContact O-CB 3.3Å; I804-H809 PolarHBondContact O-N 3.47Å; H809-L811 PolarHBondContact O-N 2.75Å; H809-W812 PolarHBondContact O-N 3.46Å; H809-E813 IonicContact CE1-OE2 2.72Å; H809-E813 IonicContact ND1-OE2 2.69Å; H809-E813 WeakPolarHBondContact O-CB 3.41Å; H809-E813 PolarHBondContact O-N 3.5Å; H809-L830 HydrophobicContact CB-CD2 4.19Å
810	P	97.3	Very high	95.6	Very high	23 Å²	23	32.8 Å²	32.8	15%	0.149	16%	0.157	C	C	.	.	H	α-helix	trans	-59.1	-34.2	177.1	-27	36.8	0	0	0	113.7	L711 T814	L711-P810 WeakPolarHBondContact CD1-O 3.49Å; L711-P810 HydrophobicContact CD2-CB 4Å; P810-T814 WeakPolarHBondContact O-CB 3.28Å; P810-T814 PolarHBondContact O-N 2.63Å; P810-T814 PolarHBondContact O-OG1 3.46Å
811	L	97.4	Very high	95.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.7	-55.9	175.2	179.1	62	0	0	0	111.5	L711 L714 L750 I807 V808 H809 E813 T814 W815	L711-L811 HydrophobicContact CD1-CD1 4.49Å; L714-L811 HydrophobicContact CD2-CD1 4.15Å; L750-L811 HydrophobicContact CB-CD2 4.22Å; L750-L811 HydrophobicContact CD1-CD2 3.82Å; I807-L811 PolarHBondContact O-N 3.41Å; V808-L811 PolarHBondContact O-N 3.47Å; H809-L811 PolarHBondContact O-N 2.75Å; L811-E813 PolarHBondContact O-N 3.39Å; L811-T814 PolarHBondContact O-N 2.99Å; L811-T814 VanDerWaalsContact O-N 3.17Å; L811-W815 PolarHBondContact O-N 2.76Å
812	W	98	Very high	95	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-67.8	-30.9	-178.3	-81	100	0	0	0	114	W535 L606 C747 L750 V808 H809 W815 S816 I826 L827 L830	W535-W812 AromaticContact CH2-CH2 3.46Å; W535-W812 HydrophobicContact CH2-CH2 3.46Å; W535-W812 VanDerWaalsContact CH2-CH2 3.46Å; W535-W812 AromaticContact CH2-CZ2 3.8Å; W535-W812 HydrophobicContact CH2-CZ2 3.8Å; W535-W812 AromaticContact CZ2-CH2 3.72Å; W535-W812 HydrophobicContact CZ2-CH2 3.72Å; W535-W812 AromaticContact CZ2-CZ2 3.88Å; W535-W812 HydrophobicContact CZ2-CZ2 3.88Å; W535-W812 HydrophobicContact CZ3-CH2 4.3Å; L606-W812 HydrophobicContact CD1-CH2 4.18Å; L606-W812 HydrophobicContact CD2-CH2 3.99Å; L606-W812 HydrophobicContact CD2-CZ3 4.05Å; C747-W812 HydrophobicContact CB-CH2 4.17Å; C747-W812 HydrophobicContact CB-CZ2 3.99Å; C747-W812 WeakPolarHBondContact O-CZ2 3.38Å; L750-W812 PolarHBondContact O-NE1 3.18Å; V808-W812 VanDerWaalsContact CG1-CD1 3.47Å; V808-W812 PolarHBondContact O-N 2.91Å; H809-W812 PolarHBondContact O-N 3.46Å; W812-W815 AromaticContact CE3-CD1 3.92Å; W812-W815 HydrophobicContact CE3-CG 4.45Å; W812-W815 AromaticContact CZ3-CD1 3.73Å; W812-W815 HydrophobicContact CZ3-CG 4.49Å; W812-S816 VanDerWaalsContact O-CB 3.23Å; W812-S816 WeakPolarHBondContact O-CB 3.36Å; W812-S816 PolarHBondContact O-N 3.27Å; W812-I826 HydrophobicContact CD2-CG2 4.13Å; W812-I826 HydrophobicContact CE3-CB 4.4Å; W812-I826 HydrophobicContact CE3-CG2 3.68Å; W812-I826 HydrophobicContact CH2-CD1 4.27Å; W812-I826 HydrophobicContact CH2-CG2 3.85Å; W812-I826 HydrophobicContact CZ2-CG2 4.27Å; W812-I826 HydrophobicContact CZ3-CB 4.23Å; W812-I826 HydrophobicContact CZ3-CD1 3.91Å; W812-I826 HydrophobicContact CZ3-CG2 3.54Å; W812-L827 HydrophobicContact CB-CD1 4.27Å; W812-L830 HydrophobicContact CB-CD2 3.83Å; W812-L830 HydrophobicContact CG-CD2 4.18Å
813	E	96.8	Very high	94.9	Very high	78 Å²	78	35.6 Å²	35.6	36%	0.364	17%	0.172	S	C	.	.	H	α-helix	trans	-60.5	-47.7	169.8	179.7	178.2	-153.2	0	0	110.5	H809 L811 S816 D817	H809-E813 IonicContact CE1-OE2 2.72Å; H809-E813 IonicContact ND1-OE2 2.69Å; H809-E813 WeakPolarHBondContact O-CB 3.41Å; H809-E813 PolarHBondContact O-N 3.5Å; L811-E813 PolarHBondContact O-N 3.39Å; E813-S816 PolarHBondContact O-N 3.17Å; E813-D817 PolarHBondContact O-N 2.93Å
814	T	94.9	Very high	94.8	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.049	17%	0.166	C	C	.	.	H	α-helix	trans	-69	-38.8	179.2	-49.3	0	0	0	0	111.7	L711 L714 K715 V718 P810 L811 D817 L818	L711-T814 HydrophobicContact CD1-CG2 4.46Å; L711-T814 WeakPolarHBondContact CD1-OG1 3.35Å; L714-T814 HydrophobicContact CB-CG2 4.12Å; L714-T814 HydrophobicContact CD2-CG2 3.77Å; L714-T814 HydrophobicContact CG-CG2 3.67Å; K715-T814 HydrophobicContact CB-CG2 4.31Å; K715-T814 WeakPolarHBondContact CE-OG1 3.47Å; K715-T814 HydrophobicContact CG-CG2 3.47Å; K715-T814 VanDerWaalsContact CG-CG2 3.47Å; V718-T814 HydrophobicContact CG2-CG2 3.99Å; V718-T814 WeakPolarHBondContact CG2-O 3.46Å; P810-T814 WeakPolarHBondContact O-CB 3.28Å; P810-T814 PolarHBondContact O-N 2.63Å; P810-T814 PolarHBondContact O-OG1 3.46Å; L811-T814 PolarHBondContact O-N 2.99Å; L811-T814 VanDerWaalsContact O-N 3.17Å; T814-D817 WeakPolarHBondContact O-CB 3.46Å; T814-D817 PolarHBondContact O-N 3.42Å; T814-L818 PolarHBondContact O-N 3.14Å; T814-L818 VanDerWaalsContact O-N 3.09Å
815	W	95.8	Very high	94.7	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-44.3	174.3	-178.5	-93.5	0	0	0	111.7	L606 L612 L714 I740 N743 M744 L811 W812 D817 L818 V819	L606-W815 HydrophobicContact CB-CZ2 4.22Å; L606-W815 HydrophobicContact CD1-CZ2 4.31Å; L606-W815 HydrophobicContact CD2-CZ2 4.39Å; L612-W815 HydrophobicContact CD1-CH2 4.21Å; L612-W815 HydrophobicContact CD1-CZ2 4.16Å; L714-W815 HydrophobicContact CD1-CE3 4.37Å; L714-W815 HydrophobicContact CD2-CB 4.48Å; I740-W815 HydrophobicContact CG2-CH2 3.9Å; I740-W815 HydrophobicContact CG2-CZ3 3.92Å; N743-W815 HydrophobicContact CB-CZ3 4.38Å; M744-W815 HydrophobicContact CB-CH2 3.66Å; M744-W815 HydrophobicContact CB-CZ3 4.01Å; M744-W815 HydrophobicContact CE-CH2 3.74Å; M744-W815 HydrophobicContact CE-CZ2 4.18Å; M744-W815 HydrophobicContact CG-CH2 3.87Å; M744-W815 HydrophobicContact CG-CZ2 4.28Å; L811-W815 PolarHBondContact O-N 2.76Å; W812-W815 AromaticContact CE3-CD1 3.92Å; W812-W815 HydrophobicContact CE3-CG 4.45Å; W812-W815 AromaticContact CZ3-CD1 3.73Å; W812-W815 HydrophobicContact CZ3-CG 4.49Å; W815-D817 VanDerWaalsContact C-N 3.33Å; W815-D817 PolarHBondContact O-N 3.24Å; W815-L818 HydrophobicContact CE3-CD2 4.42Å; W815-L818 HydrophobicContact CZ3-CD2 4.36Å; W815-L818 WeakPolarHBondContact O-CA 3.3Å; W815-L818 WeakPolarHBondContact O-CB 3.3Å; W815-L818 PolarHBondContact O-N 3.31Å; W815-V819 HydrophobicContact CZ2-CG1 4.01Å; W815-V819 WeakPolarHBondContact O-CG2 3.27Å; W815-V819 PolarHBondContact O-N 2.68Å
816	S	94.8	Very high	94.8	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-42.2	176	-169.1	0	0	0	0	111.8	W812 E813 L818 V819 Y820	W812-S816 VanDerWaalsContact O-CB 3.23Å; W812-S816 WeakPolarHBondContact O-CB 3.36Å; W812-S816 PolarHBondContact O-N 3.27Å; E813-S816 PolarHBondContact O-N 3.17Å; S816-L818 VanDerWaalsContact C-N 3.27Å; S816-L818 PolarHBondContact O-N 2.85Å; S816-V819 CarbonylContact O-C 3.58Å; S816-V819 PolarHBondContact O-N 3.4Å; S816-Y820 VanDerWaalsContact O-CA 3.3Å; S816-Y820 WeakPolarHBondContact O-CA 3.46Å; S816-Y820 WeakPolarHBondContact O-CB 3.41Å; S816-Y820 PolarHBondContact O-N 2.8Å
817	D	92.3	Very high	94.9	Very high	39 Å²	39	30.9 Å²	30.9	21%	0.209	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-34.9	172.3	-105.1	20.6	0	0	0	113	V718 K722 E813 T814 W815	V718-D817 HydrophobicContact CG1-CB 3.86Å; V718-D817 HydrophobicContact CG2-CB 4.32Å; K722-D817 IonicContact NZ-OD2 3.84Å; K722-D817 PolarHBondContact NZ-OD2 2.73Å; E813-D817 PolarHBondContact O-N 2.93Å; T814-D817 WeakPolarHBondContact O-CB 3.46Å; T814-D817 PolarHBondContact O-N 3.42Å; W815-D817 VanDerWaalsContact C-N 3.33Å; W815-D817 PolarHBondContact O-N 3.24Å
818	L	90.4	Very high	94.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-71.8	-44.3	177.9	-174.8	69.1	0	0	0	112	L714 M717 V718 K721 L729 I740 T814 W815 S816	L714-L818 HydrophobicContact CD1-CD2 3.68Å; M717-L818 HydrophobicContact CG-CD1 4.43Å; M717-L818 HydrophobicContact SD-CD1 4.48Å; V718-L818 HydrophobicContact CG2-CB 3.74Å; V718-L818 HydrophobicContact CG2-CD1 4Å; V718-L818 HydrophobicContact CG2-CG 4.46Å; K721-L818 HydrophobicContact CD-CD1 4.43Å; K721-L818 PolarHBondContact NZ-O 2.87Å; L729-L818 HydrophobicContact CD1-CD1 3.73Å; L729-L818 HydrophobicContact CD1-CG 3.93Å; L729-L818 HydrophobicContact CD2-CD1 3.9Å; L729-L818 HydrophobicContact CG-CD1 4.41Å; I740-L818 HydrophobicContact CD1-CD2 4.04Å; I740-L818 HydrophobicContact CG1-CD2 4.26Å; I740-L818 HydrophobicContact CG2-CD2 4.47Å; T814-L818 PolarHBondContact O-N 3.14Å; T814-L818 VanDerWaalsContact O-N 3.09Å; W815-L818 HydrophobicContact CE3-CD2 4.42Å; W815-L818 HydrophobicContact CZ3-CD2 4.36Å; W815-L818 WeakPolarHBondContact O-CA 3.3Å; W815-L818 WeakPolarHBondContact O-CB 3.3Å; W815-L818 PolarHBondContact O-N 3.31Å; S816-L818 VanDerWaalsContact C-N 3.27Å; S816-L818 PolarHBondContact O-N 2.85Å
819	V	91.8	Very high	94.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-106.3	18	-174	-50.5	0	0	0	0	114.6	A609 S611 L612 W815 S816 D822 A823	A609-V819 HydrophobicContact CB-CB 4.17Å; A609-V819 HydrophobicContact CB-CG1 4.45Å; S611-V819 VanDerWaalsContact OG-CA 3.26Å; S611-V819 WeakPolarHBondContact OG-CA 3.18Å; S611-V819 WeakPolarHBondContact OG-CB 3.24Å; L612-V819 HydrophobicContact CD1-CG1 4Å; L612-V819 HydrophobicContact CD2-CG1 4.46Å; L612-V819 HydrophobicContact CG-CG1 4.14Å; W815-V819 HydrophobicContact CZ2-CG1 4.01Å; W815-V819 WeakPolarHBondContact O-CG2 3.27Å; W815-V819 PolarHBondContact O-N 2.68Å; S816-V819 CarbonylContact O-C 3.58Å; S816-V819 PolarHBondContact O-N 3.4Å; V819-D822 PolarHBondContact O-N 2.97Å; V819-A823 HydrophobicContact CG2-CB 3.54Å
820	Y	89.4	Confident	95	Very high	118 Å²	118	32 Å²	32	46%	0.463	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	129.5	-178.4	-176.1	-89.9	0	0	0	111.7	S816	S816-Y820 VanDerWaalsContact O-CA 3.3Å; S816-Y820 WeakPolarHBondContact O-CA 3.46Å; S816-Y820 WeakPolarHBondContact O-CB 3.41Å; S816-Y820 PolarHBondContact O-N 2.8Å
821	P	91.2	Very high	95	Very high	71 Å²	71	33.7 Å²	33.7	46%	0.461	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	cis	-95.6	-0.1	11.7	37.9	-36.4	0	0	0	116	A823 Q824	P821-A823 PolarHBondContact O-N 2.93Å; P821-Q824 VanDerWaalsContact O-CB 3.25Å; P821-Q824 WeakPolarHBondContact O-CB 3.48Å; P821-Q824 PolarHBondContact O-N 3.22Å; P821-Q824 VanDerWaalsContact O-N 3.11Å
822	D	90.7	Very high	95.1	Very high	61 Å²	61	37.6 Å²	37.6	33%	0.326	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-34.9	-158.5	-62.9	-49.3	0	0	0	114.7	A609 Q610 V819	A609-D822 WeakPolarHBondContact CA-OD2 3.47Å; A609-D822 HydrophobicContact CB-CB 3.96Å; Q610-D822 PolarHBondContact N-OD2 3.29Å; V819-D822 PolarHBondContact O-N 2.97Å
823	A	94.2	Very high	95.1	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.017	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	5.8	180	0	0	0	0	0	114.3	V819 P821 T825 I826 L827	V819-A823 HydrophobicContact CG2-CB 3.54Å; P821-A823 PolarHBondContact O-N 2.93Å; A823-T825 VanDerWaalsContact C-N 3.31Å; A823-T825 PolarHBondContact O-N 3.25Å; A823-I826 HydrophobicContact CB-CD1 4.26Å; A823-I826 WeakPolarHBondContact O-CB 3.45Å; A823-I826 PolarHBondContact O-N 2.88Å; A823-L827 PolarHBondContact O-N 2.9Å; A823-L827 VanDerWaalsContact O-N 3.1Å
824	Q	94.7	Very high	95.1	Very high	44 Å²	44	37.2 Å²	37.2	21%	0.206	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-38.8	-178.3	179.3	59.4	30.4	0	0	112.6	P821 I826 L827 E828	P821-Q824 VanDerWaalsContact O-CB 3.25Å; P821-Q824 WeakPolarHBondContact O-CB 3.48Å; P821-Q824 PolarHBondContact O-N 3.22Å; P821-Q824 VanDerWaalsContact O-N 3.11Å; Q824-I826 VanDerWaalsContact C-N 3.29Å; Q824-I826 PolarHBondContact O-N 3.34Å; Q824-L827 PolarHBondContact O-N 3.31Å; Q824-E828 PolarHBondContact NE2-OE1 3.07Å; Q824-E828 WeakPolarHBondContact O-CG 3.45Å; Q824-E828 PolarHBondContact O-N 3.44Å
825	T	95.9	Very high	95.2	Very high	90 Å²	90	41.1 Å²	41.1	55%	0.552	21%	0.208	S	C	*	.	H	α-helix	trans	-69.3	-27.9	177.7	53.8	0	0	0	0	112.8	A823 T829	A823-T825 VanDerWaalsContact C-N 3.31Å; A823-T825 PolarHBondContact O-N 3.25Å; T825-T829 WeakPolarHBondContact O-CB 3.4Å; T825-T829 PolarHBondContact O-N 3.2Å; T825-T829 PolarHBondContact O-OG1 3.14Å
826	I	97.7	Very high	95.3	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-70.5	-44.2	175.3	-55.7	176.3	0	0	0	109.2	W535 L606 A754 W812 A823 Q824 T829 L830	W535-I826 HydrophobicContact CD2-CD1 3.74Å; W535-I826 HydrophobicContact CD2-CG1 4.04Å; W535-I826 HydrophobicContact CE3-CD1 3.95Å; W535-I826 HydrophobicContact CG-CD1 4.13Å; W535-I826 HydrophobicContact CG-CG1 3.99Å; W535-I826 HydrophobicContact CH2-CD1 4.46Å; W535-I826 HydrophobicContact CZ2-CD1 4.26Å; W535-I826 HydrophobicContact CZ2-CG2 3.84Å; W535-I826 HydrophobicContact CZ3-CD1 4.31Å; L606-I826 HydrophobicContact CD2-CD1 4.2Å; A754-I826 HydrophobicContact CB-CG2 3.48Å; A754-I826 VanDerWaalsContact CB-CG2 3.48Å; W812-I826 HydrophobicContact CD2-CG2 4.13Å; W812-I826 HydrophobicContact CE3-CB 4.4Å; W812-I826 HydrophobicContact CE3-CG2 3.68Å; W812-I826 HydrophobicContact CH2-CD1 4.27Å; W812-I826 HydrophobicContact CH2-CG2 3.85Å; W812-I826 HydrophobicContact CZ2-CG2 4.27Å; W812-I826 HydrophobicContact CZ3-CB 4.23Å; W812-I826 HydrophobicContact CZ3-CD1 3.91Å; W812-I826 HydrophobicContact CZ3-CG2 3.54Å; A823-I826 HydrophobicContact CB-CD1 4.26Å; A823-I826 WeakPolarHBondContact O-CB 3.45Å; A823-I826 PolarHBondContact O-N 2.88Å; Q824-I826 VanDerWaalsContact C-N 3.29Å; Q824-I826 PolarHBondContact O-N 3.34Å; I826-T829 PolarHBondContact O-N 3.06Å; I826-L830 PolarHBondContact O-N 3.07Å
827	L	97.1	Very high	95.4	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-39.8	175.7	-172.9	62	0	0	0	112.5	W812 A823 Q824 L830 E831	W812-L827 HydrophobicContact CB-CD1 4.27Å; A823-L827 PolarHBondContact O-N 2.9Å; A823-L827 VanDerWaalsContact O-N 3.1Å; Q824-L827 PolarHBondContact O-N 3.31Å; L827-L830 HydrophobicContact CD1-CD2 4.29Å; L827-L830 WeakPolarHBondContact O-CB 3.46Å; L827-L830 PolarHBondContact O-N 3.39Å; L827-E831 PolarHBondContact O-N 3.25Å
828	E	97.7	Very high	95.6	Very high	70 Å²	70	47.5 Å²	47.5	33%	0.327	23%	0.229	S	C	.	.	H	α-helix	trans	-63.2	-41.1	173.8	-73.9	173.8	-175.2	0	0	111.8	Q824 L830 E831 D832	Q824-E828 PolarHBondContact NE2-OE1 3.07Å; Q824-E828 WeakPolarHBondContact O-CG 3.45Å; Q824-E828 PolarHBondContact O-N 3.44Å; E828-L830 VanDerWaalsContact C-N 3.32Å; E828-L830 PolarHBondContact O-N 2.83Å; E828-E831 PolarHBondContact O-N 3.25Å; E828-D832 PolarHBondContact O-N 3.39Å
829	T	98.1	Very high	95.8	Very high	42 Å²	42	50.5 Å²	50.5	26%	0.258	25%	0.245	S	C	.	.	H	α-helix	trans	-62.5	-39.1	174.2	-55.7	0	0	0	0	111.6	K755 T825 I826 N833	K755-T829 WeakPolarHBondContact O-CG2 3.46Å; T825-T829 WeakPolarHBondContact O-CB 3.4Å; T825-T829 PolarHBondContact O-N 3.2Å; T825-T829 PolarHBondContact O-OG1 3.14Å; I826-T829 PolarHBondContact O-N 3.06Å; T829-N833 VanDerWaalsContact O-CB 3.29Å; T829-N833 WeakPolarHBondContact O-CB 3.37Å; T829-N833 PolarHBondContact O-N 3.27Å; T829-N833 PolarHBondContact O-ND2 2.76Å
830	L	98.5	Very high	95.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-43.2	175.7	-179	63	0	0	0	112.5	P753 A754 I804 V808 H809 W812 I826 L827 E828 R834	P753-L830 HydrophobicContact CB-CD1 3.56Å; P753-L830 WeakPolarHBondContact O-CD1 3.4Å; A754-L830 HydrophobicContact CB-CB 3.97Å; A754-L830 HydrophobicContact CB-CD1 4.33Å; I804-L830 HydrophobicContact CD1-CD1 4.26Å; I804-L830 HydrophobicContact CG1-CD1 4.1Å; I804-L830 HydrophobicContact CG2-CD1 3.74Å; I804-L830 HydrophobicContact CG2-CD2 4.5Å; I804-L830 HydrophobicContact CG2-CG 4.03Å; V808-L830 HydrophobicContact CG1-CD1 4Å; V808-L830 HydrophobicContact CG1-CD2 4.12Å; H809-L830 HydrophobicContact CB-CD2 4.19Å; W812-L830 HydrophobicContact CB-CD2 3.83Å; W812-L830 HydrophobicContact CG-CD2 4.18Å; I826-L830 PolarHBondContact O-N 3.07Å; L827-L830 HydrophobicContact CD1-CD2 4.29Å; L827-L830 WeakPolarHBondContact O-CB 3.46Å; L827-L830 PolarHBondContact O-N 3.39Å; E828-L830 VanDerWaalsContact C-N 3.32Å; E828-L830 PolarHBondContact O-N 2.83Å; L830-R834 VanDerWaalsContact O-CB 3.25Å; L830-R834 WeakPolarHBondContact O-CB 3.37Å; L830-R834 PolarHBondContact O-N 2.92Å
831	E	98	Very high	95.8	Very high	59 Å²	59	48.3 Å²	48.3	28%	0.276	24%	0.24	S	C	.	.	H	α-helix	trans	-58.9	-50.2	174	-75.3	-170.5	172.4	0	0	111.4	R19 L827 E828 R834 E835	R19-E831 IonicContact CZ-OE2 3.16Å; R19-E831 IonicContact NE-OE2 2.75Å; R19-E831 PolarHBondContact NE-OE2 3.28Å; R19-E831 IonicContact NH2-OE2 3.13Å; R19-E831 PolarHBondContact NH2-OE2 2.8Å; L827-E831 PolarHBondContact O-N 3.25Å; E828-E831 PolarHBondContact O-N 3.25Å; E831-R834 WeakPolarHBondContact O-CB 3.48Å; E831-R834 PolarHBondContact O-N 3.2Å; E831-E835 PolarHBondContact O-N 3.43Å
832	D	98.2	Very high	95.3	Very high	82 Å²	82	47.8 Å²	47.8	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-67.6	-39.2	-175.7	-70.1	-5.6	0	0	0	111.2	R19 E828 R834 E835 W836	R19-D832 IonicContact CZ-OD1 2.58Å; R19-D832 IonicContact NH1-OD1 2.6Å; R19-D832 IonicContact NH2-OD1 3.34Å; R19-D832 PolarHBondContact NH2-OD1 3.39Å; E828-D832 PolarHBondContact O-N 3.39Å; D832-R834 PolarHBondContact O-N 3.44Å; D832-E835 PolarHBondContact O-N 3.23Å; D832-W836 PolarHBondContact O-N 3.39Å
833	N	98.4	Very high	94.7	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.043	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-39.1	172.3	-78.3	-16.1	0	0	0	112.6	P753 K755 L757 Y760 T829 W836 Y837	P753-N833 PolarHBondContact O-ND2 3.15Å; K755-N833 PolarHBondContact O-ND2 3.26Å; L757-N833 WeakPolarHBondContact CB-OD1 3.43Å; Y760-N833 HydrophobicContact CD1-CB 3.91Å; Y760-N833 HydrophobicContact CE1-CB 4.11Å; T829-N833 VanDerWaalsContact O-CB 3.29Å; T829-N833 WeakPolarHBondContact O-CB 3.37Å; T829-N833 PolarHBondContact O-N 3.27Å; T829-N833 PolarHBondContact O-ND2 2.76Å; N833-W836 WeakPolarHBondContact O-CB 3.36Å; N833-W836 PolarHBondContact O-N 3.08Å; N833-Y837 PolarHBondContact O-N 3.02Å
834	R	98	Very high	93.7	Very high	64 Å²	64	52.7 Å²	52.7	24%	0.242	26%	0.256	C	S	.	.	H	α-helix	trans	-67.1	-38.4	176.5	-177.2	-92.9	178.7	-128.3	-3.5	111.7	I804 D805 L830 E831 D832 Y838	I804-R834 HydrophobicContact CB-CB 4.43Å; I804-R834 HydrophobicContact CB-CG 4.11Å; I804-R834 HydrophobicContact CD1-CB 3.78Å; I804-R834 HydrophobicContact CD1-CG 4.19Å; I804-R834 HydrophobicContact CG2-CB 3.92Å; I804-R834 HydrophobicContact CG2-CG 3.8Å; D805-R834 IonicContact OD1-CZ 3.6Å; D805-R834 IonicContact OD1-NE 2.82Å; D805-R834 PolarHBondContact OD1-NE 3.35Å; D805-R834 IonicContact OD1-NH2 2.76Å; D805-R834 PolarHBondContact OD1-NH2 3.38Å; D805-R834 IonicContact OD2-CZ 2.63Å; D805-R834 IonicContact OD2-NE 3.35Å; D805-R834 IonicContact OD2-NH2 2.72Å; D805-R834 PolarHBondContact OD2-NH2 2.97Å; L830-R834 VanDerWaalsContact O-CB 3.25Å; L830-R834 WeakPolarHBondContact O-CB 3.37Å; L830-R834 PolarHBondContact O-N 2.92Å; E831-R834 WeakPolarHBondContact O-CB 3.48Å; E831-R834 PolarHBondContact O-N 3.2Å; D832-R834 PolarHBondContact O-N 3.44Å; R834-Y838 WeakPolarHBondContact O-CB 3.46Å; R834-Y838 PolarHBondContact O-N 3.05Å; R834-Y838 VanDerWaalsContact O-N 3.08Å
835	E	97.4	Very high	92.4	Very high	90 Å²	90	54.7 Å²	54.7	42%	0.421	27%	0.268	S	S	.	.	H	α-helix	trans	-65.9	-40.8	172.4	-175.6	165.2	-169.1	0	0	111.2	E831 D832 Y838 N839	E831-E835 PolarHBondContact O-N 3.43Å; D832-E835 PolarHBondContact O-N 3.23Å; E835-Y838 PolarHBondContact O-N 2.97Å; E835-N839 VanDerWaalsContact O-CG 3.27Å; E835-N839 PolarHBondContact O-N 3.39Å; E835-N839 PolarHBondContact O-ND2 3.43Å
836	W	97.7	Very high	90.8	Very high	69 Å²	69	55.4 Å²	55.4	26%	0.261	27%	0.268	S	S	.	.	H	α-helix	trans	-57	-55.1	175.2	-173.3	84.9	0	0	0	112.2	L757 R761 D832 N833 Y838 N839 Q840	L757-W836 HydrophobicContact CD1-CB 4.45Å; L757-W836 HydrophobicContact CD1-CD2 3.85Å; L757-W836 HydrophobicContact CD1-CE3 3.75Å; L757-W836 HydrophobicContact CD1-CG 4.14Å; L757-W836 HydrophobicContact CD1-CZ3 4.39Å; L757-W836 HydrophobicContact CD2-CB 4.47Å; L757-W836 HydrophobicContact CD2-CD2 3.83Å; L757-W836 HydrophobicContact CD2-CG 3.74Å; L757-W836 HydrophobicContact CG-CD2 4.44Å; R761-W836 HydrophobicContact CG-CH2 4.31Å; R761-W836 HydrophobicContact CG-CZ3 4.15Å; D832-W836 PolarHBondContact O-N 3.39Å; N833-W836 WeakPolarHBondContact O-CB 3.36Å; N833-W836 PolarHBondContact O-N 3.08Å; W836-Y838 VanDerWaalsContact C-N 3.3Å; W836-Y838 PolarHBondContact O-N 2.74Å; W836-N839 PolarHBondContact O-N 2.83Å; W836-N839 VanDerWaalsContact O-N 3.1Å; W836-Q840 HydrophobicContact CD2-CG 4.1Å; W836-Q840 HydrophobicContact CE3-CG 4.01Å; W836-Q840 HydrophobicContact CH2-CG 3.66Å; W836-Q840 HydrophobicContact CZ2-CG 3.76Å; W836-Q840 HydrophobicContact CZ3-CG 3.8Å; W836-Q840 WeakPolarHBondContact O-CG 3.35Å; W836-Q840 PolarHBondContact O-N 3.19Å; W836-Q840 VanDerWaalsContact O-N 3.1Å
837	Y	96.7	Very high	89	Confident	9 Å²	9	59.9 Å²	59.9	4%	0.035	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-35.9	177.7	-88.1	-73.6	0	0	0	112.8	Y760 T764 E797 Q800 N833 N839 Q840 I841	Y760-Y837 HydrophobicContact CD1-CD2 4.35Å; Y760-Y837 AromaticContact CD1-CE2 3.76Å; Y760-Y837 HydrophobicContact CD1-CE2 3.76Å; Y760-Y837 AromaticContact CE1-CD2 3.65Å; Y760-Y837 HydrophobicContact CE1-CD2 3.65Å; Y760-Y837 AromaticContact CE1-CE2 3.31Å; Y760-Y837 HydrophobicContact CE1-CE2 3.31Å; Y760-Y837 AromaticContact CZ-CE2 3.73Å; T764-Y837 WeakPolarHBondContact CB-OH 3.43Å; T764-Y837 WeakPolarHBondContact CG2-OH 3.35Å; T764-Y837 PolarHBondContact OG1-OH 3.37Å; T764-Y837 VanDerWaalsContact OG1-OH 3.11Å; E797-Y837 HydrophobicContact CB-CD1 3.95Å; E797-Y837 HydrophobicContact CG-CD1 4.02Å; E797-Y837 HydrophobicContact CG-CE1 4.49Å; Q800-Y837 HydrophobicContact CB-CD1 4.04Å; Q800-Y837 HydrophobicContact CB-CD2 4.22Å; Q800-Y837 HydrophobicContact CB-CE1 4.28Å; Q800-Y837 HydrophobicContact CB-CE2 4.49Å; Q800-Y837 HydrophobicContact CB-CG 4Å; Q800-Y837 HydrophobicContact CG-CD1 4.21Å; Q800-Y837 HydrophobicContact CG-CE1 3.94Å; Q800-Y837 HydrophobicContact CG-CE2 4.39Å; N833-Y837 PolarHBondContact O-N 3.02Å; Y837-N839 VanDerWaalsContact C-N 3.32Å; Y837-N839 PolarHBondContact O-N 2.83Å; Y837-Q840 PolarHBondContact O-N 3.14Å; Y837-I841 WeakPolarHBondContact O-CG1 3.42Å; Y837-I841 PolarHBondContact O-N 3.26Å
838	Y	95.7	Very high	86.9	Confident	98 Å²	98	63.8 Å²	63.8	38%	0.384	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-36.7	174.8	-179	-99.2	0	0	0	112.7	R834 E835 W836 I841 N842	R834-Y838 WeakPolarHBondContact O-CB 3.46Å; R834-Y838 PolarHBondContact O-N 3.05Å; R834-Y838 VanDerWaalsContact O-N 3.08Å; E835-Y838 PolarHBondContact O-N 2.97Å; W836-Y838 VanDerWaalsContact C-N 3.3Å; W836-Y838 PolarHBondContact O-N 2.74Å; Y838-I841 PolarHBondContact O-N 2.94Å; Y838-N842 PolarHBondContact O-ND2 3.29Å
839	N	95.2	Very high	84.8	Confident	62 Å²	62	65.2 Å²	65.2	33%	0.332	32%	0.324	S	S	.	.	H	α-helix	trans	-70.5	-37.8	177	-68.9	-27.6	0	0	0	112.1	E835 W836 Y837 I841 N842 E843	E835-N839 VanDerWaalsContact O-CG 3.27Å; E835-N839 PolarHBondContact O-N 3.39Å; E835-N839 PolarHBondContact O-ND2 3.43Å; W836-N839 PolarHBondContact O-N 2.83Å; W836-N839 VanDerWaalsContact O-N 3.1Å; Y837-N839 VanDerWaalsContact C-N 3.32Å; Y837-N839 PolarHBondContact O-N 2.83Å; N839-I841 VanDerWaalsContact C-N 3.27Å; N839-I841 PolarHBondContact O-N 3.35Å; N839-N842 WeakPolarHBondContact O-CB 3.37Å; N839-N842 PolarHBondContact O-N 2.78Å; N839-E843 PolarHBondContact O-N 3.48Å
840	Q	92.4	Very high	82.7	Confident	44 Å²	44	65.9 Å²	65.9	21%	0.206	33%	0.333	C	S	.	.	H	α-helix	trans	-59.4	-34.8	174.3	-62.2	-59.4	-94.1	0	0	112.9	E797 W836 Y837 N842 E843 N844	E797-Q840 HydrophobicContact CG-CB 3.85Å; W836-Q840 HydrophobicContact CD2-CG 4.1Å; W836-Q840 HydrophobicContact CE3-CG 4.01Å; W836-Q840 HydrophobicContact CH2-CG 3.66Å; W836-Q840 HydrophobicContact CZ2-CG 3.76Å; W836-Q840 HydrophobicContact CZ3-CG 3.8Å; W836-Q840 WeakPolarHBondContact O-CG 3.35Å; W836-Q840 PolarHBondContact O-N 3.19Å; W836-Q840 VanDerWaalsContact O-N 3.1Å; Y837-Q840 PolarHBondContact O-N 3.14Å; Q840-N842 VanDerWaalsContact C-N 3.26Å; Q840-N842 PolarHBondContact O-N 2.86Å; Q840-E843 PolarHBondContact NE2-OE2 3.08Å; Q840-E843 PolarHBondContact O-N 2.99Å; Q840-N844 WeakPolarHBondContact O-CB 3.48Å; Q840-N844 PolarHBondContact O-N 2.95Å
841	I	89.2	Confident	80.5	Confident	30 Å²	30	73.3 Å²	73.3	15%	0.154	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-39.6	172.8	-60.9	165.9	0	0	0	111	E797 K798 V801 Y837 Y838 N839 N845	E797-I841 HydrophobicContact CB-CD1 4.31Å; E797-I841 HydrophobicContact CB-CG1 3.55Å; K798-I841 HydrophobicContact CB-CD1 4.16Å; K798-I841 HydrophobicContact CG-CD1 4.3Å; V801-I841 HydrophobicContact CB-CD1 4.47Å; V801-I841 HydrophobicContact CG2-CD1 3.98Å; Y837-I841 WeakPolarHBondContact O-CG1 3.42Å; Y837-I841 PolarHBondContact O-N 3.26Å; Y838-I841 PolarHBondContact O-N 2.94Å; N839-I841 VanDerWaalsContact C-N 3.27Å; N839-I841 PolarHBondContact O-N 3.35Å; I841-N845 VanDerWaalsContact O-CG 3.25Å; I841-N845 PolarHBondContact O-N 3.28Å; I841-N845 PolarHBondContact O-ND2 2.68Å
842	N	80.5	Confident	78.3	Confident	60 Å²	60	76.8 Å²	76.8	32%	0.321	39%	0.388	S	S	.	.	H	α-helix	trans	-76.9	-35.9	-177.5	-63.3	-39.5	0	0	0	112.1	Y838 N839 Q840 N845 N846	Y838-N842 PolarHBondContact O-ND2 3.29Å; N839-N842 WeakPolarHBondContact O-CB 3.37Å; N839-N842 PolarHBondContact O-N 2.78Å; Q840-N842 VanDerWaalsContact C-N 3.26Å; Q840-N842 PolarHBondContact O-N 2.86Å; N842-N845 PolarHBondContact O-N 3.25Å; N842-N846 VanDerWaalsContact O-CG 3.23Å; N842-N846 PolarHBondContact O-N 2.9Å; N842-N846 VanDerWaalsContact O-N 3.07Å; N842-N846 PolarHBondContact O-ND2 3.22Å
843	E	78.6	Confident	76	Confident	100 Å²	100	80.2 Å²	80.2	47%	0.467	41%	0.407	S	S	.	.	H	α-helix	trans	-62.7	-52.4	174	-71.1	172.9	-173.4	0	0	110.6	N839 Q840 N845 N846 D847	N839-E843 PolarHBondContact O-N 3.48Å; Q840-E843 PolarHBondContact NE2-OE2 3.08Å; Q840-E843 PolarHBondContact O-N 2.99Å; E843-N845 PolarHBondContact O-N 2.99Å; E843-N845 VanDerWaalsContact O-N 3.16Å; E843-N846 PolarHBondContact O-N 3.37Å; E843-D847 PolarHBondContact O-N 3.27Å; E843-D847 VanDerWaalsContact O-N 3.08Å
844	N	71.9	Confident	73.1	Confident	66 Å²	66	91.2 Å²	91.2	35%	0.353	46%	0.458	S	S	.	.	H	α-helix	trans	-57.4	-33.7	176.4	-69.6	-12.2	0	0	0	112.9	Q840 N848	Q840-N844 WeakPolarHBondContact O-CB 3.48Å; Q840-N844 PolarHBondContact O-N 2.95Å; N844-N848 PolarHBondContact O-N 3.28Å; N844-N848 PolarHBondContact O-ND2 3.31Å
845	N	67.8	Low	71.9	Confident	86 Å²	86	92.6 Å²	92.6	46%	0.46	47%	0.469	S	S	.	.	H	α-helix	trans	-74.1	-29.4	175.1	-75.8	-41.5	0	0	0	113.2	I841 N842 E843 N849	I841-N845 VanDerWaalsContact O-CG 3.25Å; I841-N845 PolarHBondContact O-N 3.28Å; I841-N845 PolarHBondContact O-ND2 2.68Å; N842-N845 PolarHBondContact O-N 3.25Å; E843-N845 PolarHBondContact O-N 2.99Å; E843-N845 VanDerWaalsContact O-N 3.16Å; N845-N849 PolarHBondContact O-N 3.3Å; N845-N849 PolarHBondContact O-ND2 3.48Å
846	N	62.1	Low	70.6	Confident	104 Å²	104	92.7 Å²	92.7	56%	0.556	47%	0.471	S	S	*	.	H	α-helix	trans	-75.4	-41.4	178.4	-70.9	-29.6	0	0	0	111.2	N842 E843 N848 N849 A850	N842-N846 VanDerWaalsContact O-CG 3.23Å; N842-N846 PolarHBondContact O-N 2.9Å; N842-N846 VanDerWaalsContact O-N 3.07Å; N842-N846 PolarHBondContact O-ND2 3.22Å; E843-N846 PolarHBondContact O-N 3.37Å; N846-N848 PolarHBondContact O-N 3.45Å; N846-N849 PolarHBondContact O-N 3.01Å; N846-N849 VanDerWaalsContact O-N 3.08Å; N846-A850 PolarHBondContact O-N 3.39Å
847	D	59.4	Low	69.1	Low	103 Å²	103	94 Å²	94	55%	0.551	48%	0.483	S	S	*	.	H	α-helix	trans	-64.4	-42	178.7	-66.6	-14.6	0	0	0	111.2	E843 N849 A850 E851	E843-D847 PolarHBondContact O-N 3.27Å; E843-D847 VanDerWaalsContact O-N 3.08Å; D847-N849 PolarHBondContact O-N 3.49Å; D847-A850 PolarHBondContact O-N 3.13Å; D847-A850 VanDerWaalsContact O-N 3.15Å; D847-E851 PolarHBondContact O-N 3.33Å
848	N	54.7	Low	67.4	Low	94 Å²	94	99 Å²	99	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-63.7	-23.8	172.9	-81.7	-73	0	0	0	113.8	N844 N846 N852	N844-N848 PolarHBondContact O-N 3.28Å; N844-N848 PolarHBondContact O-ND2 3.31Å; N846-N848 PolarHBondContact O-N 3.45Å; N848-N852 PolarHBondContact O-ND2 3.44Å
849	N	53.6	Low	65.7	Low	100 Å²	100	99.1 Å²	99.1	54%	0.535	52%	0.517	S	S	.	.	H	α-helix	trans	-83	-35.7	172.7	-74.2	-50	0	0	0	111.4	N845 N846 D847 N852 D853	N845-N849 PolarHBondContact O-N 3.3Å; N845-N849 PolarHBondContact O-ND2 3.48Å; N846-N849 PolarHBondContact O-N 3.01Å; N846-N849 VanDerWaalsContact O-N 3.08Å; D847-N849 PolarHBondContact O-N 3.49Å; N849-N852 PolarHBondContact O-N 3.35Å; N849-D853 PolarHBondContact O-N 3.33Å
850	A	53.7	Low	63.7	Low	56 Å²	56	101.5 Å²	101.5	46%	0.463	53%	0.529	S	S	.	.	H	α-helix	trans	-63.4	-41.5	175.9	0	0	0	0	0	112.3	N846 D847 N852 D853 E854	N846-A850 PolarHBondContact O-N 3.39Å; D847-A850 PolarHBondContact O-N 3.13Å; D847-A850 VanDerWaalsContact O-N 3.15Å; A850-N852 PolarHBondContact O-N 3.35Å; A850-D853 PolarHBondContact O-N 3.09Å; A850-E854 PolarHBondContact O-N 3.49Å
851	E	52.1	Low	61.6	Low	156 Å²	156	105.6 Å²	105.6	73%	0.729	55%	0.552	S	S	*	*	H	α-helix	trans	-71.1	-8.9	175.8	-69.2	-168	161.5	0	0	114.4	D847	D847-E851 PolarHBondContact O-N 3.33Å
852	N	51.6	Low	59.5	Low	131 Å²	131	111.5 Å²	111.5	70%	0.701	58%	0.583	S	S	*	*	H	α-helix	trans	-102.5	-6.8	173	-78.9	-73.7	0	0	0	113.4	N848 N849 A850	N848-N852 PolarHBondContact O-ND2 3.44Å; N849-N852 PolarHBondContact O-N 3.35Å; A850-N852 PolarHBondContact O-N 3.35Å
853	D	50.2	Low	57.8	Low	154 Å²	154	115.8 Å²	115.8	82%	0.824	61%	0.605	S	S	*	*	H	α-helix	trans	-102.3	-5.1	175.6	-85.3	-20.9	0	0	0	112.9	N849 A850	N849-D853 PolarHBondContact O-N 3.33Å; A850-D853 PolarHBondContact O-N 3.09Å
854	E	37.9	Very low	55.9	Low	239 Å²	239	117.2 Å²	117.2	100%	1.117	62%	0.617	S	S	*	*			trans	-93.1	0	166.1	-72.1	-158.4	152.6	0	0	113.4	A850	A850-E854 PolarHBondContact O-N 3.49Å

Retrieved 854 of 854 residues in 351.3 ms (Link to these results)

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