A0A096N3J9_PAPAN Loading...

Protein deacetylase HDAC6

AlphaFold DB , UniProt , Accession A0A096N3J9, Species PAPAN (Papio anubis, Olive baboon), Gene HDAC6, Length 1,215 aa.

						>A0A096N3J9_PAPAN|A0A096N3J9|HDAC6
MTSTGQDSTTTRQRRSRQNPQSPPQDSSVTSKRNIKKGAVPRSIPNLAEVKKKGKMKKLGQAMEEDLIAGLQGMDLNLEAEALAGTGLVLDEQLNEFHCLWDDSFPEGPERLHAIKEQLIQEGLLDRCVSFQARFAEKEELMLVHSLEYIDLMETTQYMNEGELRVLADTYDSVYLHPNSYSCACLASGSVLRLVDAVLGAEIRNGMAIIRPPGHHAQHSLMDGYCMFNHVAVAARYAQQKHRIRRVLIVDWDVHHGQGTQFTFDQDPSVLYFSIHRYEQGRFWPHLKASNWSTTGFGQGQGYTINVPWNQVGMRDADYIAAFLHVLLPVALEFQPQLVLVAAGFDALQGDPKGEMAATPAGFAQLTHLLMGLAGGKLILSLEGGYNLRALAEGVSASLHTLLGDPCPMLESPGAPCRSAQASVSCALEALEPFWEVLVRSTETVEGDNMEEDNVEENEEEGPWEPPVLPILTWPVLQSRTGLVYDQSMMNHCNLWDSHHPEVPQRILRIMCRLEELGLAGRCLTLTPRPATEAELLTCHSAEYVGHLRATEKMKTRELHRESSNFDSIYICPSTFACAQLATGAACRLVEAVLSGEVLNGAAVVRPPGHHAEQDAACGFCFFNSVAVAARHAQAISGRALRILIVDWDVHHGNGTQHMFEDDPSVLYVSLHRYDHGTFFPMGDEGASSQIGRAAGTGFTVNVAWNGPRMGDADYLAAWHRLVLPIAYEFNPELVLVSAGFDAARGDPLGGCQVSPEGYAHLTHLLMGLASGRIILILEGGYNLTSISESMAACTRSLLGDPPPLLTLPRPPLSGALASITETIQVHRRYWRSLRVMKVEDREGPSSSKLVTKKAPQPAKPRLAERMTTREKKVLEAGMGKITSASFGEESTPGQTKSERAVVALTQDQSSEAATGGATLAQTISEAAVGGAMLGQTTSEEAVGGATPDQTTSEKTVGGATLDQTTSEDAVGGATLGQTTSEEAVGGATLAQTTSEAAMEGATLDQTTSEEAPGGTELIQTPLASSTDHQTPPTSPVQGTTPQISPSTLIESLRTLELGSKSQGASESQAPGEENLLGEAAGGQDMADSMLMQGSRGLTDQAIFYAVTPLPWCPHLVAVCPIPAAGLDVTQPCGDCGTIQENWVCLSCYQVYCGRYINGHMLQHHGNSGHPLVLSYIDLSTWCYYCQAYVHHQALLDVKNIAHQNKFGEDMPHPH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.6	Very low	31.3	Very low	247 Å²	247	129.4 Å²	129.4	100%	1.217	77%	0.774	S	S	*	*				0	173.7	0	-80.3	179.6	167.8	0	0	109.2
2	T	29.8	Very low	31.3	Very low	129 Å²	129	138.6 Å²	138.6	79%	0.791	79%	0.785	S	S	*	*			trans	-48.7	160.7	172.6	43.2	0	0	0	0	116
3	S	30	Very low	31	Very low	91 Å²	91	142.8 Å²	142.8	64%	0.636	79%	0.794	S	S	*	*			cis	-177	159.8	-19.1	57.3	0	0	0	0	112.9
4	T	38.4	Very low	30.9	Very low	131 Å²	131	147.1 Å²	147.1	80%	0.804	79%	0.792	S	S	*	*			trans	53.9	132.4	140.5	53	0	0	0	0	124.7
5	G	29.1	Very low	30.7	Very low	67 Å²	67	151.7 Å²	151.7	69%	0.691	79%	0.793	S	S	*	*			trans	158.3	106.1	152.8	0	0	0	0	0	110.9
6	Q	33.7	Very low	30.5	Very low	169 Å²	169	148.5 Å²	148.5	79%	0.79	79%	0.788	S	S	*	*				66.2	140.3	60	-61.2	-163.4	-92.2	0	0	114
7	D	34.1	Very low	30.6	Very low	130 Å²	130	152.8 Å²	152.8	70%	0.695	79%	0.791	S	S	*	*			cis	-173.8	168	-12.5	-103.7	-24.2	0	0	0	109
8	S	31.6	Very low	30.7	Very low	82 Å²	82	153.1 Å²	153.1	57%	0.573	79%	0.788	S	S	*	*			cis	-172.5	172.6	-13.4	59.6	0	0	0	0	110.9
9	T	30.4	Very low	30.7	Very low	125 Å²	125	153.2 Å²	153.2	77%	0.767	79%	0.79	S	S	*	*			trans	68.3	163	159.7	62.6	0	0	0	0	119.1
10	T	28.5	Very low	31.4	Very low	111 Å²	111	151.2 Å²	151.2	68%	0.681	79%	0.787	S	S	*	*			cis	-154.9	141.4	15.4	-23.3	0	0	0	0	115.6
11	T	28.7	Very low	31.4	Very low	141 Å²	141	152.3 Å²	152.3	87%	0.865	79%	0.789	S	S	*	*			trans	62.8	157.5	148	37.3	0	0	0	0	124.8
12	R	30.5	Very low	31.4	Very low	240 Å²	240	145.5 Å²	145.5	91%	0.906	77%	0.765	S	S	*	*			trans	-160.3	127.2	-169.5	178	-169.5	-170.9	-168.4	7.7	112.3
13	Q	27.8	Very low	32.1	Very low	194 Å²	194	145 Å²	145	91%	0.907	77%	0.765	S	S	*	*			trans	-155.7	163.3	169.8	-68.3	-165	12	0	0	112
14	R	29.2	Very low	33.2	Very low	203 Å²	203	145.7 Å²	145.7	77%	0.766	77%	0.767	S	S	*	*				-169.5	138.3	-50.5	-141.6	-175.1	-178.6	-177.5	2.5	109.9
15	R	29	Very low	33.1	Very low	215 Å²	215	147 Å²	147	81%	0.811	76%	0.764	S	S	*	*			trans	69.4	155.1	165.9	-65.5	173.8	174	176.9	-4.7	116.9
16	S	26.9	Very low	33.1	Very low	101 Å²	101	150 Å²	150	71%	0.706	76%	0.764	S	S	*	*			cis	-170.7	147.5	-15.9	48.9	0	0	0	0	115.4
17	R	32.1	Very low	33	Very low	222 Å²	222	146.6 Å²	146.6	84%	0.838	76%	0.759	S	S	*	*			trans	62.8	117.2	147.9	-74.5	-175.4	172.9	-176.7	-2.6	124.1
18	Q	31.9	Very low	32.8	Very low	157 Å²	157	146 Å²	146	73%	0.734	77%	0.765	S	S	*	*				67.9	121.6	127.3	-64.1	174.6	-76.8	0	0	124.3
19	N	32	Very low	32.7	Very low	155 Å²	155	148.3 Å²	148.3	83%	0.829	78%	0.775	S	S	*	*			trans	43.2	156.4	133.6	-79.5	25.3	0	0	0	123.1
20	P	43.3	Very low	32.6	Very low	114 Å²	114	148.9 Å²	148.9	74%	0.74	78%	0.779	S	S	*	*			cis	-146.2	174.7	30.5	42.7	-21.8	0	0	0	120.7
21	Q	32.8	Very low	32.4	Very low	175 Å²	175	148.9 Å²	148.9	82%	0.818	78%	0.783	S	S	*	*			trans	18.6	129.6	151.3	-80.4	173.5	-37.1	0	0	126.3
22	S	30.6	Very low	32.5	Very low	103 Å²	103	150.9 Å²	150.9	72%	0.72	78%	0.78	S	S	*	*				29.3	157.6	128.5	60.2	0	0	0	0	123.1
23	P	42.9	Very low	32.3	Very low	120 Å²	120	151.3 Å²	151.3	78%	0.779	78%	0.781	S	S	*	*			cis	-145.4	-141.7	36.4	35.3	-7.2	0	0	0	115.6
24	P	53.7	Low	32.4	Very low	105 Å²	105	148.7 Å²	148.7	68%	0.682	77%	0.774	S	S	*	*				-134.8	179.9	-75.8	40.6	-23.4	0	0	0	119.6
25	Q	35.8	Very low	32.3	Very low	158 Å²	158	146.9 Å²	146.9	74%	0.738	78%	0.777	S	S	*	*			trans	92.4	128.7	139	-94.1	-177.5	-66.6	0	0	126.8
26	D	30.5	Very low	32.3	Very low	131 Å²	131	146 Å²	146	70%	0.701	78%	0.78	S	S	*	*			trans	59.8	150.5	135.2	-66.5	-8.1	0	0	0	125.4
27	S	31.4	Very low	32.3	Very low	97 Å²	97	151.3 Å²	151.3	68%	0.678	79%	0.79	S	S	*	*			cis	-171	-175.9	-20.6	64.4	0	0	0	0	113.1
28	S	28.6	Very low	31.9	Very low	117 Å²	117	144.5 Å²	144.5	82%	0.818	79%	0.789	S	S	*	*			trans	94.7	156.6	164.8	82	0	0	0	0	120.1
29	V	30	Very low	31.7	Very low	131 Å²	131	141.9 Å²	141.9	79%	0.794	79%	0.794	S	S	*	*			trans	-153.2	146.6	-144.7	172.1	0	0	0	0	114.1
30	T	27.5	Very low	31.5	Very low	137 Å²	137	140.8 Å²	140.8	84%	0.84	79%	0.792	S	S	*	*			trans	162.9	153	138.8	33.5	0	0	0	0	110.4
31	S	25.5	Very low	30.7	Very low	111 Å²	111	141.4 Å²	141.4	78%	0.776	80%	0.796	S	S	*	*			cis	-151.2	157.2	-15	179.4	0	0	0	0	108.6
32	K	29.8	Very low	30.5	Very low	182 Å²	182	144.9 Å²	144.9	79%	0.791	80%	0.802	S	S	*	*			trans	-144.7	136	176.4	-79.5	-174.6	176.2	177	0	112.8
33	R	27.8	Very low	30.3	Very low	249 Å²	249	145.3 Å²	145.3	94%	0.94	81%	0.805	S	S	*	*			trans	-93.9	137.6	149.7	-103.6	-179.2	172.4	171.5	-2.3	107.5
34	N	28.8	Very low	29.6	Very low	139 Å²	139	147.3 Å²	147.3	74%	0.743	81%	0.807	S	S	*	*			trans	-151.4	131.1	177.7	-124.4	18.4	0	0	0	111.5
35	I	27.6	Very low	28.6	Very low	165 Å²	165	146.8 Å²	146.8	85%	0.846	80%	0.804	S	S	*	*			trans	-81.5	140.5	167.3	-62.5	168.1	0	0	0	107.7
36	K	28.7	Very low	28.3	Very low	198 Å²	198	143.9 Å²	143.9	86%	0.861	79%	0.794	S	S	*	*			trans	-107.7	120.7	173.2	-81.5	-173.4	174.1	-178.6	0	110.9
37	K	26.5	Very low	28.3	Very low	212 Å²	212	143.6 Å²	143.6	92%	0.922	79%	0.792	S	S	*	*			trans	-78.7	151.3	148.6	-70.1	-170.7	174.3	-169	0	108.6
38	G	25.1	Very low	28.1	Very low	79 Å²	79	142.2 Å²	142.2	81%	0.814	79%	0.786	S	S	*	*			trans	-156.7	114.3	172.5	0	0	0	0	0	111.4
39	A	27	Very low	28.1	Very low	102 Å²	102	142.8 Å²	142.8	84%	0.843	78%	0.776	S	S	*	*			trans	-151.7	134.7	165.4	0	0	0	0	0	107.4
40	V	27.6	Very low	28.3	Very low	131 Å²	131	139 Å²	139	79%	0.794	75%	0.753	S	S	*	*			trans	-138.3	132.1	175	178.9	0	0	0	0	106.4	R42	V40-R42 PolarHBondContact O-N 3.29Å
41	P	26.5	Very low	28.6	Very low	127 Å²	127	138.3 Å²	138.3	83%	0.825	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-62.2	135	-179.4	-21.2	32.9	0	0	0	111.5
42	R	28.5	Very low	28.9	Very low	248 Å²	248	141.4 Å²	141.4	94%	0.936	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-79.6	139.6	165.7	-76	-179.3	170.3	172.7	-2.8	109.1	V40	V40-R42 PolarHBondContact O-N 3.29Å
43	S	26	Very low	29	Very low	112 Å²	112	141.4 Å²	141.4	78%	0.783	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-80.9	136.4	176.3	52.7	0	0	0	0	111.6
44	I	29.2	Very low	29.1	Very low	162 Å²	162	132 Å²	132	83%	0.831	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-62.4	135	173.7	-57.1	172	0	0	0	109.7
45	P	32.3	Very low	29.5	Very low	94 Å²	94	133.4 Å²	133.4	61%	0.61	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-66.1	159.6	175.8	-20.9	33.7	0	0	0	113.7	V50	P45-V50 HydrophobicContact CB-CG2 4.44Å
46	N	29.1	Very low	30.3	Very low	98 Å²	98	130.2 Å²	130.2	52%	0.524	70%	0.701	S	S	.	*	P	Polyproline II helix	trans	-77.7	128.8	173.6	-177.2	-13.6	0	0	0	110.7	A48 E49 V50	N46-A48 PolarHBondContact O-N 3.48Å; N46-A48 VanDerWaalsContact O-N 3.08Å; N46-A48 PolarHBondContact OD1-N 2.9Å; N46-E49 HydrophobicContact CB-CG 4.33Å; N46-E49 WeakPolarHBondContact O-CB 3.44Å; N46-E49 PolarHBondContact O-N 2.81Å; N46-V50 PolarHBondContact O-N 3.09Å
47	L	30.6	Very low	30.8	Very low	125 Å²	125	129.8 Å²	129.8	65%	0.654	70%	0.699	S	S	*	*	H	α-helix	trans	-49.6	-35	176.7	-172.6	65.5	0	0	0	113.2	E49 V50 K51	L47-E49 VanDerWaalsContact C-N 3.29Å; L47-E49 PolarHBondContact O-N 3.08Å; L47-V50 PolarHBondContact O-N 3.17Å; L47-K51 PolarHBondContact O-N 2.9Å
48	A	27.1	Very low	31.5	Very low	68 Å²	68	126.7 Å²	126.7	56%	0.562	69%	0.685	S	S	*	*	H	α-helix	trans	-69.7	-20.4	177.3	0	0	0	0	0	114.4	N46	N46-A48 PolarHBondContact O-N 3.48Å; N46-A48 VanDerWaalsContact O-N 3.08Å; N46-A48 PolarHBondContact OD1-N 2.9Å
49	E	27.9	Very low	32.4	Very low	128 Å²	128	125.7 Å²	125.7	60%	0.598	66%	0.661	S	S	*	*	H	α-helix	trans	-87.3	-30.9	172.6	-62.8	-171.6	124.6	0	0	111.6	N46 L47 K52 K53	N46-E49 HydrophobicContact CB-CG 4.33Å; N46-E49 WeakPolarHBondContact O-CB 3.44Å; N46-E49 PolarHBondContact O-N 2.81Å; L47-E49 VanDerWaalsContact C-N 3.29Å; L47-E49 PolarHBondContact O-N 3.08Å; E49-K52 PolarHBondContact O-N 3.5Å; E49-K53 PolarHBondContact O-N 2.61Å
50	V	36.3	Very low	33	Very low	53 Å²	53	123 Å²	123	32%	0.321	64%	0.643	S	S	.	*	H	α-helix	trans	-64.1	-52.2	173.3	-177.2	0	0	0	0	110.4	P45 N46 L47 K52 K53 G54 M682	P45-V50 HydrophobicContact CB-CG2 4.44Å; N46-V50 PolarHBondContact O-N 3.09Å; L47-V50 PolarHBondContact O-N 3.17Å; V50-K52 PolarHBondContact O-N 3Å; V50-K53 PolarHBondContact O-N 3.1Å; V50-G54 PolarHBondContact O-N 2.74Å; V50-G54 VanDerWaalsContact O-N 3.14Å; V50-M682 HydrophobicContact CG1-CE 4.36Å; V50-M682 HydrophobicContact CG1-SD 4.08Å
51	K	33	Very low	33.6	Very low	121 Å²	121	123.2 Å²	123.2	53%	0.526	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.2	-6.8	174.4	-66.1	-151	178.1	-141.1	0	114.6	L47 D567	L47-K51 PolarHBondContact O-N 2.9Å; K51-D567 IonicContact NZ-OD2 3.76Å; K51-D567 PolarHBondContact NZ-OD2 3.46Å
52	K	30.9	Very low	34	Very low	176 Å²	176	120.3 Å²	120.3	77%	0.765	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-12.7	174.2	-155.5	174.5	-176.5	179.9	0	113.7	E49 V50	E49-K52 PolarHBondContact O-N 3.5Å; V50-K52 PolarHBondContact O-N 3Å
53	K	33.6	Very low	34.7	Very low	183 Å²	183	114 Å²	114	80%	0.796	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-37.9	172.1	-73.2	-177.5	177.3	-179.5	0	112.5	E49 V50 K55	E49-K53 PolarHBondContact O-N 2.61Å; V50-K53 PolarHBondContact O-N 3.1Å; K53-K55 PolarHBondContact O-N 3.31Å
54	G	28.9	Very low	35.6	Very low	52 Å²	52	112.1 Å²	112.1	54%	0.536	58%	0.584	S	S	.	*			trans	-69.8	40.9	177.1	0	0	0	0	0	115	V50	V50-G54 PolarHBondContact O-N 2.74Å; V50-G54 VanDerWaalsContact O-N 3.14Å
55	K	36.2	Very low	36.4	Very low	167 Å²	167	110 Å²	110	73%	0.726	57%	0.57	S	S	*	*			trans	-104.4	110.7	170.1	-74.6	-147.2	168.3	-141.6	0	109.6	K53	K53-K55 PolarHBondContact O-N 3.31Å
56	M	46.3	Very low	37	Very low	98 Å²	98	111.5 Å²	111.5	48%	0.483	57%	0.573	S	S	.	*			trans	-45.1	137.7	172.7	-66.7	164	169.7	0	0	111.1	F620 L749	M56-F620 HydrophobicContact CE-CZ 4.4Å; M56-L749 HydrophobicContact CB-CD2 4.14Å; M56-L749 HydrophobicContact CE-CD1 3.8Å; M56-L749 HydrophobicContact CE-CD2 4.45Å; M56-L749 HydrophobicContact CG-CD2 4.06Å; M56-L749 HydrophobicContact SD-CD1 3.89Å; M56-L749 HydrophobicContact SD-CD2 3.76Å; M56-L749 HydrophobicContact SD-CG 4.45Å
57	K	37.4	Very low	37.9	Very low	190 Å²	190	108.2 Å²	108.2	83%	0.826	56%	0.555	S	S	*	*			trans	-121	124.6	179	-85.1	-173.3	172.6	-176.7	0	109.9
58	K	43	Very low	38.9	Very low	146 Å²	146	105 Å²	105	64%	0.635	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-63.2	147.3	-179.8	-152.9	-160.3	171.8	-168.6	0	112.5	E64	K58-E64 WeakPolarHBondContact CE-OE2 3.39Å; K58-E64 IonicContact NZ-OE1 3.38Å; K58-E64 IonicContact NZ-OE2 3.37Å; K58-E64 PolarHBondContact NZ-OE2 3.17Å
59	L	43.4	Very low	40	Very low	58 Å²	58	104.6 Å²	104.6	30%	0.304	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-58.8	160.5	156	-96.7	64.8	0	0	0	111.9	M63	L59-M63 HydrophobicContact CD2-CE 3.97Å; L59-M63 HydrophobicContact CD2-CG 4.09Å; L59-M63 HydrophobicContact CD2-SD 3.95Å; L59-M63 HydrophobicContact CG-CE 4.28Å; L59-M63 HydrophobicContact CG-SD 3.92Å
60	G	40.2	Very low	41	Very low	46 Å²	46	100.3 Å²	100.3	47%	0.474	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-83	147	174.2	0	0	0	0	0	112.5	A62 M63 E64	G60-A62 PolarHBondContact O-N 3.09Å; G60-M63 WeakPolarHBondContact O-CA 3.34Å; G60-M63 VanDerWaalsContact O-CB 3.27Å; G60-M63 WeakPolarHBondContact O-CB 3.28Å; G60-M63 PolarHBondContact O-N 3.27Å; G60-E64 PolarHBondContact O-N 3.43Å
61	Q	38.8	Very low	41.6	Very low	136 Å²	136	98.4 Å²	98.4	64%	0.636	51%	0.513	S	S	*	.	H	α-helix	trans	-60.6	-36.3	-171.1	-168.7	169.9	-7.1	0	0	114.5	M63 E64 E65	Q61-M63 VanDerWaalsContact C-N 3.27Å; Q61-M63 PolarHBondContact O-N 2.81Å; Q61-E64 VanDerWaalsContact O-CB 3.25Å; Q61-E64 WeakPolarHBondContact O-CB 3.39Å; Q61-E64 PolarHBondContact O-N 2.92Å; Q61-E64 VanDerWaalsContact O-N 3.12Å; Q61-E65 PolarHBondContact O-N 2.78Å
62	A	36.1	Very low	42.1	Very low	65 Å²	65	100.2 Å²	100.2	54%	0.537	52%	0.523	S	S	.	.	H	α-helix	trans	-64.4	-31.2	174	0	0	0	0	0	113	G60 E64 E65 D66	G60-A62 PolarHBondContact O-N 3.09Å; A62-E64 VanDerWaalsContact C-N 3.28Å; A62-E65 PolarHBondContact O-N 2.9Å; A62-D66 PolarHBondContact O-N 2.89Å
63	M	42.8	Very low	42.6	Very low	117 Å²	117	95 Å²	95	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-77.3	-18	177	-166.4	177.2	172.8	0	0	112	L59 G60 Q61 L67	L59-M63 HydrophobicContact CD2-CE 3.97Å; L59-M63 HydrophobicContact CD2-CG 4.09Å; L59-M63 HydrophobicContact CD2-SD 3.95Å; L59-M63 HydrophobicContact CG-CE 4.28Å; L59-M63 HydrophobicContact CG-SD 3.92Å; G60-M63 WeakPolarHBondContact O-CA 3.34Å; G60-M63 VanDerWaalsContact O-CB 3.27Å; G60-M63 WeakPolarHBondContact O-CB 3.28Å; G60-M63 PolarHBondContact O-N 3.27Å; Q61-M63 VanDerWaalsContact C-N 3.27Å; Q61-M63 PolarHBondContact O-N 2.81Å; M63-L67 WeakPolarHBondContact O-CB 3.23Å; M63-L67 PolarHBondContact O-N 3.17Å
64	E	44.6	Very low	43.1	Very low	72 Å²	72	88 Å²	88	34%	0.336	49%	0.49	S	S	.	.	H	α-helix	trans	-79.4	-38.3	170	-161.2	172.5	168.4	0	0	109.9	K58 G60 Q61 A62 I68	K58-E64 WeakPolarHBondContact CE-OE2 3.39Å; K58-E64 IonicContact NZ-OE1 3.38Å; K58-E64 IonicContact NZ-OE2 3.37Å; K58-E64 PolarHBondContact NZ-OE2 3.17Å; G60-E64 PolarHBondContact O-N 3.43Å; Q61-E64 VanDerWaalsContact O-CB 3.25Å; Q61-E64 WeakPolarHBondContact O-CB 3.39Å; Q61-E64 PolarHBondContact O-N 2.92Å; Q61-E64 VanDerWaalsContact O-N 3.12Å; A62-E64 VanDerWaalsContact C-N 3.28Å; E64-I68 WeakPolarHBondContact O-CD1 3.49Å; E64-I68 VanDerWaalsContact O-CG1 3.23Å; E64-I68 WeakPolarHBondContact O-CG1 3.21Å; E64-I68 PolarHBondContact O-N 3.44Å
65	E	45.4	Very low	43.7	Very low	116 Å²	116	90.3 Å²	90.3	54%	0.542	49%	0.49	S	S	.	.	H	α-helix	trans	-71.3	-47.5	175.9	-70.5	168.3	-176.1	0	0	112.9	Q61 A62 L67 I68 A69	Q61-E65 PolarHBondContact O-N 2.78Å; A62-E65 PolarHBondContact O-N 2.9Å; E65-L67 VanDerWaalsContact C-N 3.26Å; E65-L67 PolarHBondContact O-N 2.88Å; E65-I68 PolarHBondContact O-N 2.97Å; E65-I68 VanDerWaalsContact O-N 3.17Å; E65-A69 PolarHBondContact O-N 2.71Å
66	D	44.5	Very low	44.4	Very low	126 Å²	126	83.2 Å²	83.2	67%	0.674	46%	0.46	S	S	*	.	H	α-helix	trans	-58.9	-38.2	173.3	-79.2	-25.3	0	0	0	111.7	A62 A69 G70	A62-D66 PolarHBondContact O-N 2.89Å; D66-A69 PolarHBondContact O-N 2.76Å; D66-G70 PolarHBondContact O-N 2.72Å
67	L	49.6	Very low	44.2	Very low	29 Å²	29	82.8 Å²	82.8	15%	0.152	46%	0.46	C	S	.	.	H	α-helix	trans	-66.1	-44.3	175.1	173.1	75.2	0	0	0	111.7	M63 E65 A69 G70 L71 G746 N783	M63-L67 WeakPolarHBondContact O-CB 3.23Å; M63-L67 PolarHBondContact O-N 3.17Å; E65-L67 VanDerWaalsContact C-N 3.26Å; E65-L67 PolarHBondContact O-N 2.88Å; L67-A69 VanDerWaalsContact C-N 3.29Å; L67-A69 PolarHBondContact O-N 3.28Å; L67-G70 CarbonylContact O-C 3.58Å; L67-G70 WeakPolarHBondContact O-CA 3.43Å; L67-G70 PolarHBondContact O-N 2.85Å; L67-G70 VanDerWaalsContact O-N 3.1Å; L67-L71 HydrophobicContact CD1-CD1 4.37Å; L67-L71 HydrophobicContact CD1-CG 4.42Å; L67-L71 HydrophobicContact CG-CD1 4.11Å; L67-L71 HydrophobicContact CG-CG 4.5Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.41Å; L67-G746 WeakPolarHBondContact CD2-O 3.15Å; L67-N783 VanDerWaalsContact CD2-ND2 3.32Å; L67-N783 WeakPolarHBondContact CD2-ND2 3.42Å
68	I	50.3	Low	44.6	Very low	59 Å²	59	79.3 Å²	79.3	30%	0.303	45%	0.45	S	S	.	.	H	α-helix	trans	-60.5	-41.4	176.7	-74.9	163.3	0	0	0	110.2	E64 E65 L71 Q72	E64-I68 WeakPolarHBondContact O-CD1 3.49Å; E64-I68 VanDerWaalsContact O-CG1 3.23Å; E64-I68 WeakPolarHBondContact O-CG1 3.21Å; E64-I68 PolarHBondContact O-N 3.44Å; E65-I68 PolarHBondContact O-N 2.97Å; E65-I68 VanDerWaalsContact O-N 3.17Å; I68-L71 PolarHBondContact O-N 2.87Å; I68-Q72 HydrophobicContact CG2-CG 4.28Å; I68-Q72 WeakPolarHBondContact O-CB 3.43Å; I68-Q72 VanDerWaalsContact O-CG 3.27Å; I68-Q72 WeakPolarHBondContact O-CG 3.46Å; I68-Q72 PolarHBondContact O-N 3.05Å
69	A	50.1	Low	44.6	Very low	59 Å²	59	81.7 Å²	81.7	49%	0.488	46%	0.463	S	S	.	.	H	α-helix	trans	-61.8	-42.1	172.4	0	0	0	0	0	112.2	E65 D66 L67 L71 Q72 G73	E65-A69 PolarHBondContact O-N 2.71Å; D66-A69 PolarHBondContact O-N 2.76Å; L67-A69 VanDerWaalsContact C-N 3.29Å; L67-A69 PolarHBondContact O-N 3.28Å; A69-L71 VanDerWaalsContact C-N 3.27Å; A69-L71 PolarHBondContact O-N 3.44Å; A69-Q72 PolarHBondContact O-N 3.41Å; A69-G73 PolarHBondContact O-N 2.69Å
70	G	50.3	Low	44.6	Very low	38 Å²	38	82.3 Å²	82.3	39%	0.392	48%	0.477	S	S	.	.	H	α-helix	trans	-71	-11.4	175.3	0	0	0	0	0	115.8	D66 L67 R745	D66-G70 PolarHBondContact O-N 2.72Å; L67-G70 CarbonylContact O-C 3.58Å; L67-G70 WeakPolarHBondContact O-CA 3.43Å; L67-G70 PolarHBondContact O-N 2.85Å; L67-G70 VanDerWaalsContact O-N 3.1Å; G70-R745 PolarHBondContact O-NH2 2.77Å; G70-R745 VanDerWaalsContact O-NH2 3.11Å
71	L	48.2	Very low	45.2	Very low	12 Å²	12	88.7 Å²	88.7	6%	0.063	49%	0.494	C	S	.	.	H	α-helix	trans	-95.7	-38.3	169.2	-67.9	171.6	0	0	0	110.9	L67 I68 A69 G73 M74 T785	L67-L71 HydrophobicContact CD1-CD1 4.37Å; L67-L71 HydrophobicContact CD1-CG 4.42Å; L67-L71 HydrophobicContact CG-CD1 4.11Å; L67-L71 HydrophobicContact CG-CG 4.5Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.41Å; I68-L71 PolarHBondContact O-N 2.87Å; A69-L71 VanDerWaalsContact C-N 3.27Å; A69-L71 PolarHBondContact O-N 3.44Å; L71-G73 PolarHBondContact O-N 3.03Å; L71-M74 HydrophobicContact CD2-CE 3.76Å; L71-M74 WeakPolarHBondContact O-CB 3.49Å; L71-M74 PolarHBondContact O-N 3.01Å; L71-M74 VanDerWaalsContact O-N 3.08Å; L71-T785 HydrophobicContact CB-CG2 4.43Å; L71-T785 HydrophobicContact CD1-CG2 3.95Å
72	Q	43.8	Very low	46	Very low	159 Å²	159	84.2 Å²	84.2	74%	0.743	48%	0.481	S	S	*	.	H	α-helix	trans	-66.8	-20	174	-73.8	173.8	-12.7	0	0	113.4	I68 A69 M74	I68-Q72 HydrophobicContact CG2-CG 4.28Å; I68-Q72 WeakPolarHBondContact O-CB 3.43Å; I68-Q72 VanDerWaalsContact O-CG 3.27Å; I68-Q72 WeakPolarHBondContact O-CG 3.46Å; I68-Q72 PolarHBondContact O-N 3.05Å; A69-Q72 PolarHBondContact O-N 3.41Å; Q72-M74 VanDerWaalsContact C-N 3.29Å
73	G	40.3	Very low	47.6	Very low	68 Å²	68	84.3 Å²	84.3	70%	0.701	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-0.6	170	0	0	0	0	0	115.2	A69 L71	A69-G73 PolarHBondContact O-N 2.69Å; L71-G73 PolarHBondContact O-N 3.03Å
74	M	45.3	Very low	49	Very low	34 Å²	34	82.2 Å²	82.2	17%	0.167	47%	0.473	C	S	.	.	S	Bend	trans	-97.7	116.2	175.7	-57.4	-165.1	-48.8	0	0	110.4	L71 Q72 L76 R745 P756	L71-M74 HydrophobicContact CD2-CE 3.76Å; L71-M74 WeakPolarHBondContact O-CB 3.49Å; L71-M74 PolarHBondContact O-N 3.01Å; L71-M74 VanDerWaalsContact O-N 3.08Å; Q72-M74 VanDerWaalsContact C-N 3.29Å; M74-L76 PolarHBondContact O-N 2.72Å; M74-R745 PolarHBondContact SD-NH2 3.03Å; M74-P756 HydrophobicContact CE-CG 4.02Å
75	D	41.6	Very low	51.1	Low	101 Å²	101	80.3 Å²	80.3	54%	0.54	47%	0.473	S	S	.	.			trans	-84.8	62	-174	-159.3	2.8	0	0	0	113	N77 L78	D75-N77 PolarHBondContact O-N 2.69Å; D75-N77 VanDerWaalsContact OD1-C 3.3Å; D75-N77 PolarHBondContact OD1-N 2.89Å; D75-L78 HydrophobicContact CB-CG 4.41Å; D75-L78 PolarHBondContact O-N 3.23Å; D75-L78 PolarHBondContact OD1-N 3.41Å
76	L	50	Low	53.5	Low	18 Å²	18	74.9 Å²	74.9	9%	0.094	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.4	165.6	-65.1	174.5	0	0	0	112.1	M74 L78 P756 E789 R796	M74-L76 PolarHBondContact O-N 2.72Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-P756 HydrophobicContact CD1-CB 4.19Å; L76-P756 HydrophobicContact CD1-CG 4.48Å; L76-E789 HydrophobicContact CD1-CB 3.89Å; L76-E789 HydrophobicContact CD1-CG 4.23Å; L76-R796 PolarHBondContact O-NH1 3.18Å; L76-R796 PolarHBondContact O-NH2 2.85Å; L76-R796 VanDerWaalsContact O-NH2 3.16Å
77	N	42.6	Very low	56.1	Low	90 Å²	90	68.9 Å²	68.9	48%	0.481	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	11.6	176.9	-64	-20.4	0	0	0	112.9	D75 E79 R513	D75-N77 PolarHBondContact O-N 2.69Å; D75-N77 VanDerWaalsContact OD1-C 3.3Å; D75-N77 PolarHBondContact OD1-N 2.89Å; N77-E79 PolarHBondContact O-N 3.16Å; N77-R513 PolarHBondContact OD1-NH1 2.84Å; N77-R513 PolarHBondContact OD1-NH2 3.05Å
78	L	45.2	Very low	58.4	Low	117 Å²	117	67.9 Å²	67.9	61%	0.613	41%	0.41	S	S	*	.			trans	-55.1	102.8	166.4	-85.7	167.9	0	0	0	109.8	D75 L76 A80	D75-L78 HydrophobicContact CB-CG 4.41Å; D75-L78 PolarHBondContact O-N 3.23Å; D75-L78 PolarHBondContact OD1-N 3.41Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 3.06Å
79	E	42.7	Very low	60.7	Low	195 Å²	195	65 Å²	65	91%	0.911	40%	0.396	S	S	*	.			trans	-69.7	37.5	169.5	-62.1	-178.1	143.8	0	0	111.7	N77 E81	N77-E79 PolarHBondContact O-N 3.16Å; E79-E81 PolarHBondContact O-N 3.43Å; E79-E81 VanDerWaalsContact O-N 3.09Å
80	A	44.6	Very low	63	Low	72 Å²	72	64 Å²	64	60%	0.595	38%	0.382	S	S	*	.			trans	-67.3	102.8	156.9	0	0	0	0	0	106.5	L78 A82	L78-A80 PolarHBondContact O-N 3.06Å; A80-A82 PolarHBondContact O-N 2.83Å
81	E	52.2	Low	65.2	Low	179 Å²	179	63.9 Å²	63.9	84%	0.836	37%	0.372	S	S	*	.			trans	-45.5	119.8	163.4	-66.8	-174.8	130.9	0	0	107.2	E79 L83	E79-E81 PolarHBondContact O-N 3.43Å; E79-E81 VanDerWaalsContact O-N 3.09Å; E81-L83 PolarHBondContact O-N 2.76Å
82	A	56.6	Low	67.4	Low	42 Å²	42	67.4 Å²	67.4	35%	0.347	39%	0.388	S	S	.	.			trans	-62.4	99.5	-162.8	0	0	0	0	0	110.1	A80 A84 D801	A80-A82 PolarHBondContact O-N 2.83Å; A82-A84 PolarHBondContact O-N 2.92Å; A82-D801 WeakPolarHBondContact CB-OD1 3.49Å
83	L	68.1	Low	70	Confident	67 Å²	67	63.4 Å²	63.4	35%	0.351	37%	0.369	S	S	.	.			trans	-46.7	124.9	-163.3	-67.7	174.7	0	0	0	110.3	E81 A201 R204	E81-L83 PolarHBondContact O-N 2.76Å; L83-A201 HydrophobicContact CD1-CB 3.75Å; L83-A201 HydrophobicContact CD2-CB 4.14Å; L83-A201 WeakPolarHBondContact CD2-O 3.35Å; L83-R204 HydrophobicContact CB-CB 4.41Å; L83-R204 WeakPolarHBondContact O-CB 3.49Å; L83-R204 VanDerWaalsContact O-CZ 3.28Å; L83-R204 PolarHBondContact O-NE 3.23Å; L83-R204 PolarHBondContact O-NH2 3.24Å
84	A	72.3	Confident	72.7	Confident	74 Å²	74	60.1 Å²	60.1	61%	0.612	34%	0.336	S	S	*	.			trans	-118.1	154.7	-167.4	0	0	0	0	0	110.3	A82	A82-A84 PolarHBondContact O-N 2.92Å
85	G	88.4	Confident	75.2	Confident	31 Å²	31	59.7 Å²	59.7	32%	0.32	33%	0.334	S	S	.	.			trans	86.5	143.2	-177.1	0	0	0	0	0	113.5	R204	G85-R204 PolarHBondContact O-N 2.93Å
86	T	97.8	Very high	77.8	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.6	172.4	-60.3	0	0	0	0	107.9	C128 V129 N205 L399 L402 L403	T86-C128 CarbonylContact O-C 3.6Å; T86-C128 WeakPolarHBondContact O-CA 3.3Å; T86-V129 PolarHBondContact O-N 2.94Å; T86-N205 CarbonylContact C-O 3.59Å; T86-N205 WeakPolarHBondContact CA-O 2.92Å; T86-N205 WeakPolarHBondContact CA-OD1 3.09Å; T86-N205 WeakPolarHBondContact CB-OD1 3.48Å; T86-N205 WeakPolarHBondContact CG2-OD1 3.39Å; T86-N205 PolarHBondContact OG1-OD1 2.81Å; T86-L399 HydrophobicContact CG2-CD1 3.9Å; T86-L402 HydrophobicContact CG2-CB 3.7Å; T86-L402 HydrophobicContact CG2-CD1 4.04Å; T86-L402 VanDerWaalsContact OG1-C 3.29Å; T86-L402 PolarHBondContact OG1-O 3.31Å; T86-L402 VanDerWaalsContact OG1-O 3.11Å; T86-L403 PolarHBondContact OG1-N 3.07Å
87	G	98.2	Very high	80.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138	175.8	0	0	0	0	0	111.7	V129 N205 G206 M207	G87-V129 WeakPolarHBondContact CA-O 3.43Å; G87-N205 PolarHBondContact N-O 3.06Å; G87-G206 CarbonylContact O-C 3.48Å; G87-G206 WeakPolarHBondContact O-CA 3.27Å; G87-M207 PolarHBondContact O-N 3.02Å
88	L	98.6	Very high	82.7	Confident	7 Å²	7	58.9 Å²	58.9	4%	0.037	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.5	174.3	-174.8	67.8	0	0	0	109.5	L119 L125 C128 V129 S130 F131 M207 I209 L399	L88-L119 HydrophobicContact CD2-CD1 4.35Å; L88-L125 HydrophobicContact CD2-CD2 3.4Å; L88-L125 VanDerWaalsContact CD2-CD2 3.4Å; L88-C128 HydrophobicContact CB-CB 3.61Å; L88-C128 HydrophobicContact CD2-CB 4.13Å; L88-V129 PolarHBondContact N-O 2.74Å; L88-S130 WeakPolarHBondContact O-CA 3.43Å; L88-F131 PolarHBondContact O-N 3.16Å; L88-M207 WeakPolarHBondContact CA-O 3.46Å; L88-M207 HydrophobicContact CD1-CB 4.34Å; L88-I209 HydrophobicContact CD1-CG1 3.82Å; L88-L399 HydrophobicContact CD1-CD2 4.47Å
89	V	98.5	Very high	85.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.8	167.2	-175.2	0	0	0	0	108.5	F131 A133 S190 L194 M207 I209	V89-F131 HydrophobicContact CG2-CB 3.88Å; V89-A133 HydrophobicContact CG1-CB 3.77Å; V89-S190 WeakPolarHBondContact CG1-OG 3.49Å; V89-L194 HydrophobicContact CG2-CD1 4.28Å; V89-L194 HydrophobicContact CG2-CD2 3.99Å; V89-L194 HydrophobicContact CG2-CG 3.88Å; V89-M207 PolarHBondContact N-O 3.46Å; V89-I209 PolarHBondContact O-N 3.43Å
90	L	96.8	Very high	87.8	Confident	38 Å²	38	46.8 Å²	46.8	20%	0.199	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	123.3	175.4	170.4	61.5	0	0	0	106.5	L112 K116 I209	L90-L112 HydrophobicContact CD1-CD1 4.32Å; L90-K116 HydrophobicContact CD2-CB 4.11Å; L90-K116 HydrophobicContact CD2-CD 4.22Å; L90-K116 HydrophobicContact CD2-CG 3.98Å; L90-I209 HydrophobicContact CB-CB 4.35Å; L90-I209 HydrophobicContact CD1-CB 4.04Å; L90-I209 HydrophobicContact CD1-CG2 3.76Å
91	D	96.5	Very high	90.3	Very high	35 Å²	35	46.2 Å²	46.2	19%	0.187	25%	0.248	C	C	.	.			trans	-135.3	132.2	-177	-165.1	-58.5	0	0	0	110.5	Q93 L94 A133 L186	D91-Q93 PolarHBondContact O-N 3.03Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.4Å; D91-Q93 WeakPolarHBondContact OD1-CG 3.27Å; D91-Q93 PolarHBondContact OD1-N 3.13Å; D91-Q93 PolarHBondContact OD1-NE2 3.28Å; D91-Q93 PolarHBondContact OD2-NE2 3.17Å; D91-L94 WeakPolarHBondContact O-CB 3.43Å; D91-L94 WeakPolarHBondContact O-CG 3.39Å; D91-L94 PolarHBondContact O-N 2.87Å; D91-A133 HydrophobicContact CB-CB 3.74Å; D91-L186 HydrophobicContact CB-CD2 4.39Å
92	E	95.9	Very high	92.3	Very high	85 Å²	85	40.6 Å²	40.6	40%	0.397	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-65.1	-23.3	-176.2	-62.2	-58	154.8	0	0	113.5	L94 N95 K116	E92-L94 PolarHBondContact O-N 3.24Å; E92-L94 VanDerWaalsContact O-N 3.16Å; E92-N95 VanDerWaalsContact O-CB 3.3Å; E92-N95 WeakPolarHBondContact O-CB 3.31Å; E92-N95 PolarHBondContact O-N 3.18Å; E92-N95 PolarHBondContact OE2-ND2 2.84Å; E92-K116 IonicContact OE1-NZ 3.95Å; E92-K116 PolarHBondContact OE1-NZ 2.91Å
93	Q	97.4	Very high	94.1	Very high	75 Å²	75	46.6 Å²	46.6	35%	0.35	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-60.7	-25.6	176.7	-71.4	162.3	102.6	0	0	111.8	D91 N95 E96 C183 L186	D91-Q93 PolarHBondContact O-N 3.03Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.4Å; D91-Q93 WeakPolarHBondContact OD1-CG 3.27Å; D91-Q93 PolarHBondContact OD1-N 3.13Å; D91-Q93 PolarHBondContact OD1-NE2 3.28Å; D91-Q93 PolarHBondContact OD2-NE2 3.17Å; Q93-N95 PolarHBondContact O-N 3.17Å; Q93-E96 WeakPolarHBondContact O-CB 3.24Å; Q93-E96 PolarHBondContact O-N 3.48Å; Q93-C183 PolarHBondContact O-SG 3.14Å; Q93-L186 HydrophobicContact CB-CD2 3.53Å; Q93-L186 HydrophobicContact CG-CD2 4.41Å
94	L	97.4	Very high	95.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-69.7	-10	175.8	-53.3	178.2	0	0	0	112.8	D91 E92 F97 L112 C183 L186 A187 I210 R211	D91-L94 WeakPolarHBondContact O-CB 3.43Å; D91-L94 WeakPolarHBondContact O-CG 3.39Å; D91-L94 PolarHBondContact O-N 2.87Å; E92-L94 PolarHBondContact O-N 3.24Å; E92-L94 VanDerWaalsContact O-N 3.16Å; L94-F97 WeakPolarHBondContact O-CE1 3.35Å; L94-L112 HydrophobicContact CB-CD1 3.91Å; L94-C183 HydrophobicContact CD2-CB 4.3Å; L94-L186 HydrophobicContact CD2-CB 3.8Å; L94-L186 HydrophobicContact CD2-CD2 3.74Å; L94-L186 HydrophobicContact CD2-CG 3.84Å; L94-L186 HydrophobicContact CG-CD2 4.18Å; L94-A187 HydrophobicContact CD2-CB 4.47Å; L94-I210 HydrophobicContact CD1-CB 4.18Å; L94-I210 HydrophobicContact CD1-CG2 3.99Å; L94-R211 HydrophobicContact CB-CG 4.26Å; L94-R211 VanDerWaalsContact O-CG 3.27Å; L94-R211 WeakPolarHBondContact O-CG 3.49Å; L94-R211 PolarHBondContact O-NH1 3.45Å
95	N	97.3	Very high	96.4	Very high	24 Å²	24	46.7 Å²	46.7	13%	0.128	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-87	-9.8	169.6	-65.8	-41.4	0	0	0	113.2	E92 Q93 F97 P109 H113	E92-N95 VanDerWaalsContact O-CB 3.3Å; E92-N95 WeakPolarHBondContact O-CB 3.31Å; E92-N95 PolarHBondContact O-N 3.18Å; E92-N95 PolarHBondContact OE2-ND2 2.84Å; Q93-N95 PolarHBondContact O-N 3.17Å; N95-F97 PolarHBondContact O-N 3.48Å; N95-P109 HydrophobicContact CB-CB 3.88Å; N95-P109 PolarHBondContact OD1-O 3.26Å; N95-H113 VanDerWaalsContact CG-CE1 3.46Å; N95-H113 PolarHBondContact ND2-CE1 3.07Å
96	E	97.1	Very high	96.7	Very high	106 Å²	106	47.1 Å²	47.1	50%	0.495	24%	0.244	S	C	.	.	S	Bend	trans	-79.3	20.6	-172.8	-61.9	-174.6	-165.7	0	0	115	Q93 H177 N179	Q93-E96 WeakPolarHBondContact O-CB 3.24Å; Q93-E96 PolarHBondContact O-N 3.48Å; E96-H177 PolarHBondContact O-CE1 3.42Å; E96-H177 PolarHBondContact O-ND1 3.11Å; E96-N179 WeakPolarHBondContact O-CB 3.32Å; E96-N179 PolarHBondContact O-ND2 2.78Å
97	F	97.6	Very high	96.7	Very high	4 Å²	4	47 Å²	47	2%	0.018	24%	0.243	C	C	.	.			trans	-146.1	141.2	174.6	80.2	-75.7	0	0	0	113.3	L94 N95 Y175 H177 N179 C183 R211 P212	L94-F97 WeakPolarHBondContact O-CE1 3.35Å; N95-F97 PolarHBondContact O-N 3.48Å; F97-Y175 AromaticContact CD2-CE2 3.83Å; F97-Y175 HydrophobicContact CD2-CE2 3.83Å; F97-Y175 AromaticContact CD2-CZ 3.84Å; F97-Y175 WeakPolarHBondContact CD2-OH 3.27Å; F97-Y175 HydrophobicContact CE2-CE2 4.26Å; F97-Y175 AromaticContact CE2-CZ 3.86Å; F97-Y175 WeakPolarHBondContact CE2-OH 3.42Å; F97-H177 HydrophobicContact CB-CB 4Å; F97-H177 WeakPolarHBondContact CB-ND1 3.36Å; F97-N179 HydrophobicContact CB-CB 4.25Å; F97-C183 HydrophobicContact CD1-CB 3.62Å; F97-C183 VanDerWaalsContact CD1-SG 3.5Å; F97-C183 HydrophobicContact CE1-CB 3.71Å; F97-C183 HydrophobicContact CG-CB 4.48Å; F97-R211 HydrophobicContact CE1-CB 4.43Å; F97-R211 HydrophobicContact CE1-CG 3.93Å; F97-R211 VanDerWaalsContact CE1-NH1 3.28Å; F97-R211 HydrophobicContact CZ-CB 4.21Å; F97-R211 HydrophobicContact CZ-CG 4.13Å; F97-R211 VanDerWaalsContact CZ-CZ 3.41Å; F97-R211 PolarHBondContact O-NH1 2.95Å; F97-R211 PolarHBondContact O-NH2 3.46Å; F97-P212 HydrophobicContact CE2-CB 4.28Å; F97-P212 HydrophobicContact CZ-CB 3.93Å; F97-P212 HydrophobicContact CZ-CG 4.26Å
98	H	97.4	Very high	96.6	Very high	82 Å²	82	47.3 Å²	47.3	38%	0.38	25%	0.246	S	C	.	.			trans	-151.5	168.7	-178.8	60.6	-79.9	0	0	0	109.6	L100 Y175 H177	H98-L100 PolarHBondContact O-N 2.72Å; H98-Y175 WeakPolarHBondContact CA-OH 3.5Å; H98-Y175 WeakPolarHBondContact O-CE2 3.36Å; H98-H177 AromaticContact CE1-NE2 3.88Å
99	C	97.8	Very high	96.5	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.027	25%	0.249	C	C	.	.			trans	-73.5	111.1	178.2	-171.2	0	0	0	0	110.9	W101 F105 Y175	C99-W101 PolarHBondContact O-N 3Å; C99-W101 VanDerWaalsContact O-N 3.09Å; C99-W101 VanDerWaalsContact SG-CD1 3.6Å; C99-F105 HydrophobicContact CB-CB 3.63Å; C99-F105 HydrophobicContact CB-CD1 4.43Å; C99-F105 HydrophobicContact CB-CD2 4.27Å; C99-F105 HydrophobicContact CB-CG 3.87Å; C99-Y175 HydrophobicContact CB-CD1 3.95Å; C99-Y175 HydrophobicContact CB-CD2 4.03Å; C99-Y175 HydrophobicContact CB-CE1 4.25Å; C99-Y175 HydrophobicContact CB-CE2 4.36Å; C99-Y175 HydrophobicContact CB-CG 3.82Å
100	L	97.6	Very high	96.5	Very high	55 Å²	55	52.8 Å²	52.8	29%	0.288	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-11.6	-175.5	-68.5	173.1	0	0	0	114.8	H98 E161 L164	H98-L100 PolarHBondContact O-N 2.72Å; L100-E161 HydrophobicContact CB-CG 4.15Å; L100-E161 HydrophobicContact CD1-CB 4.38Å; L100-E161 HydrophobicContact CD1-CG 4.19Å; L100-L164 HydrophobicContact CD1-CD1 4.11Å
101	W	96.8	Very high	96.6	Very high	59 Å²	59	51 Å²	51	22%	0.223	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.2	10.4	-171.9	52.7	70.9	0	0	0	114.1	C99 E161 L164 R165 A168 L176	C99-W101 PolarHBondContact O-N 3Å; C99-W101 VanDerWaalsContact O-N 3.09Å; C99-W101 VanDerWaalsContact SG-CD1 3.6Å; W101-E161 HydrophobicContact CE3-CG 4.03Å; W101-E161 HydrophobicContact CZ3-CG 4.36Å; W101-L164 HydrophobicContact CH2-CB 4.25Å; W101-L164 HydrophobicContact CZ3-CB 4.18Å; W101-R165 HydrophobicContact CD2-CB 4.38Å; W101-R165 HydrophobicContact CD2-CG 4.22Å; W101-R165 HydrophobicContact CE3-CB 3.95Å; W101-R165 HydrophobicContact CE3-CG 4.29Å; W101-R165 VanDerWaalsContact CH2-CA 3.47Å; W101-R165 HydrophobicContact CH2-CB 3.83Å; W101-R165 HydrophobicContact CH2-CG 4.34Å; W101-R165 HydrophobicContact CZ2-CB 4.24Å; W101-R165 HydrophobicContact CZ2-CG 4.24Å; W101-R165 HydrophobicContact CZ3-CB 3.67Å; W101-R165 HydrophobicContact CZ3-CG 4.36Å; W101-A168 HydrophobicContact CH2-CB 4.27Å; W101-A168 HydrophobicContact CZ2-CB 3.99Å; W101-L176 WeakPolarHBondContact CH2-O 3.35Å
102	D	95.4	Very high	96.7	Very high	62 Å²	62	49.5 Å²	49.5	33%	0.332	26%	0.255	S	S	.	.			trans	-155.5	96.2	173	-176.2	3.4	0	0	0	110.5	S104 F105	D102-S104 PolarHBondContact O-N 3.05Å; D102-S104 VanDerWaalsContact O-N 3.08Å; D102-S104 WeakPolarHBondContact OD1-CA 3.25Å; D102-S104 WeakPolarHBondContact OD1-CB 3.49Å; D102-S104 PolarHBondContact OD1-N 3.49Å; D102-S104 PolarHBondContact OD1-OG 3.19Å; D102-F105 HydrophobicContact CB-CB 4.3Å; D102-F105 HydrophobicContact CB-CD2 4.45Å; D102-F105 WeakPolarHBondContact O-CB 3.36Å; D102-F105 PolarHBondContact O-N 2.81Å; D102-F105 VanDerWaalsContact O-N 3.17Å
103	D	92.8	Very high	96.8	Very high	167 Å²	167	49.3 Å²	49.3	89%	0.893	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-8.1	175.7	-55	-41.1	0	0	0	113.3
104	S	93.3	Very high	96.8	Very high	100 Å²	100	46.7 Å²	46.7	70%	0.699	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	9.3	178.3	69.7	0	0	0	0	113.9	D102	D102-S104 PolarHBondContact O-N 3.05Å; D102-S104 VanDerWaalsContact O-N 3.08Å; D102-S104 WeakPolarHBondContact OD1-CA 3.25Å; D102-S104 WeakPolarHBondContact OD1-CB 3.49Å; D102-S104 PolarHBondContact OD1-N 3.49Å; D102-S104 PolarHBondContact OD1-OG 3.19Å
105	F	95.1	Very high	96.9	Very high	44 Å²	44	46.7 Å²	46.7	19%	0.193	25%	0.246	C	C	.	.			trans	-64.2	132.6	178.6	-156.4	-88.2	0	0	0	111.2	C99 D102 E107 Y175 Y225	C99-F105 HydrophobicContact CB-CB 3.63Å; C99-F105 HydrophobicContact CB-CD1 4.43Å; C99-F105 HydrophobicContact CB-CD2 4.27Å; C99-F105 HydrophobicContact CB-CG 3.87Å; D102-F105 HydrophobicContact CB-CB 4.3Å; D102-F105 HydrophobicContact CB-CD2 4.45Å; D102-F105 WeakPolarHBondContact O-CB 3.36Å; D102-F105 PolarHBondContact O-N 2.81Å; D102-F105 VanDerWaalsContact O-N 3.17Å; F105-E107 HydrophobicContact CD1-CB 4.12Å; F105-E107 HydrophobicContact CE1-CB 4.05Å; F105-E107 PolarHBondContact O-N 3.11Å; F105-Y175 AromaticContact CD1-CD1 3.62Å; F105-Y175 HydrophobicContact CD1-CD1 3.62Å; F105-Y175 AromaticContact CD1-CE1 3.7Å; F105-Y175 HydrophobicContact CD1-CE1 3.7Å; F105-Y175 AromaticContact CE1-CD1 3.37Å; F105-Y175 HydrophobicContact CE1-CD1 3.37Å; F105-Y175 AromaticContact CE1-CE1 3.7Å; F105-Y175 HydrophobicContact CE1-CE1 3.7Å; F105-Y175 HydrophobicContact CE2-CD1 4.35Å; F105-Y175 HydrophobicContact CG-CD1 4.24Å; F105-Y175 AromaticContact CZ-CD1 3.74Å; F105-Y175 HydrophobicContact CZ-CD1 3.74Å; F105-Y225 AromaticContact CE1-CD1 3.41Å; F105-Y225 HydrophobicContact CE1-CD1 3.41Å; F105-Y225 VanDerWaalsContact CE1-CD1 3.41Å; F105-Y225 AromaticContact CE1-CE1 3.39Å; F105-Y225 HydrophobicContact CE1-CE1 3.39Å; F105-Y225 HydrophobicContact CE1-CG 4.22Å; F105-Y225 HydrophobicContact CE2-CE1 4.38Å; F105-Y225 AromaticContact CZ-CD1 3.49Å; F105-Y225 HydrophobicContact CZ-CD1 3.49Å; F105-Y225 VanDerWaalsContact CZ-CD1 3.49Å; F105-Y225 AromaticContact CZ-CE1 3.27Å; F105-Y225 HydrophobicContact CZ-CE1 3.27Å
106	P	95.1	Very high	96.9	Very high	39 Å²	39	48.7 Å²	48.7	25%	0.253	25%	0.253	S	S	.	.	S	Bend	trans	-74	-25.6	-168.6	29.4	-37.3	0	0	0	114.3	G108 Y225 Y386	P106-G108 PolarHBondContact O-N 2.83Å; P106-Y225 HydrophobicContact CG-CE2 4.29Å; P106-Y225 WeakPolarHBondContact CG-OH 3.47Å; P106-Y386 HydrophobicContact CB-CD1 3.82Å; P106-Y386 HydrophobicContact CB-CG 4.07Å; P106-Y386 WeakPolarHBondContact O-CD1 3.38Å
107	E	97.5	Very high	97	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.009	26%	0.26	C	S	.	.	S	Bend	trans	-87.3	104.7	171.3	-149.4	-55	113.7	0	0	108.8	F105 R111 Y175 R211 Y225	F105-E107 HydrophobicContact CD1-CB 4.12Å; F105-E107 HydrophobicContact CE1-CB 4.05Å; F105-E107 PolarHBondContact O-N 3.11Å; E107-R111 WeakPolarHBondContact OE1-CD 3.18Å; E107-R111 IonicContact OE1-CZ 2.99Å; E107-R111 IonicContact OE1-NE 3.23Å; E107-R111 IonicContact OE1-NH1 3.95Å; E107-R111 PolarHBondContact OE1-NH1 3.06Å; E107-Y175 HydrophobicContact CB-CE1 4.42Å; E107-Y175 PolarHBondContact OE2-OH 2.69Å; E107-R211 IonicContact OE1-CZ 3.81Å; E107-R211 IonicContact OE1-NE 3.98Å; E107-R211 PolarHBondContact OE1-NE 3.39Å; E107-R211 IonicContact OE1-NH2 3.1Å; E107-R211 IonicContact OE2-CZ 2.72Å; E107-R211 VanDerWaalsContact OE2-CZ 3.28Å; E107-R211 IonicContact OE2-NE 3.2Å; E107-R211 PolarHBondContact OE2-NE 2.84Å; E107-R211 VanDerWaalsContact OE2-NE 3.09Å; E107-R211 IonicContact OE2-NH2 2.77Å; E107-R211 PolarHBondContact OE2-NH2 3.46Å; E107-Y225 HydrophobicContact CB-CD2 3.93Å; E107-Y225 HydrophobicContact CB-CE2 4.48Å; E107-Y225 HydrophobicContact CB-CG 3.99Å; E107-Y225 HydrophobicContact CG-CD2 4.17Å; E107-Y225 HydrophobicContact CG-CG 4.27Å
108	G	96.7	Very high	96.9	Very high	6 Å²	6	51.6 Å²	51.6	6%	0.062	27%	0.267	C	S	.	.	S	Bend	trans	-149.9	161.5	-174.4	0	0	0	0	0	112.3	P106 E110 R111 R211	P106-G108 PolarHBondContact O-N 2.83Å; G108-E110 PolarHBondContact O-N 3.45Å; G108-E110 VanDerWaalsContact O-N 3.16Å; G108-R111 WeakPolarHBondContact O-CB 3.47Å; G108-R111 VanDerWaalsContact O-CG 3.32Å; G108-R111 WeakPolarHBondContact O-CG 3.11Å; G108-R111 PolarHBondContact O-N 2.88Å; G108-R211 PolarHBondContact O-NE 3.22Å
109	P	97.8	Very high	96.9	Very high	15 Å²	15	47.8 Å²	47.8	10%	0.097	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.9	-176.8	26.5	-35.7	0	0	0	113.7	N95 R111 L112 H113	N95-P109 HydrophobicContact CB-CB 3.88Å; N95-P109 PolarHBondContact OD1-O 3.26Å; P109-R111 PolarHBondContact O-N 3.05Å; P109-R111 VanDerWaalsContact O-N 3.1Å; P109-L112 PolarHBondContact O-N 2.78Å; P109-L112 VanDerWaalsContact O-N 3.1Å; P109-H113 PolarHBondContact O-N 3.22Å; P109-H113 PolarHBondContact O-ND1 3.17Å
110	E	97.9	Very high	96.8	Very high	107 Å²	107	52.3 Å²	52.3	50%	0.5	27%	0.272	S	S	.	.	H	α-helix	trans	-54.5	-29.6	176.1	-65.3	67	-148.6	0	0	112	G108 L112 H113 A114 L388	G108-E110 PolarHBondContact O-N 3.45Å; G108-E110 VanDerWaalsContact O-N 3.16Å; E110-L112 PolarHBondContact O-N 3.14Å; E110-H113 PolarHBondContact O-N 3.04Å; E110-A114 WeakPolarHBondContact O-CB 3.25Å; E110-A114 PolarHBondContact O-N 2.77Å; E110-L388 HydrophobicContact CB-CD1 3.87Å; E110-L388 HydrophobicContact CB-CD2 3.99Å
111	R	98.4	Very high	96.7	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-56.8	-48.7	175.8	-66.2	178	68.2	-124.2	-6.3	112.1	E107 G108 P109 I115 E383 G384 G385 L388 L391	E107-R111 WeakPolarHBondContact OE1-CD 3.18Å; E107-R111 IonicContact OE1-CZ 2.99Å; E107-R111 IonicContact OE1-NE 3.23Å; E107-R111 IonicContact OE1-NH1 3.95Å; E107-R111 PolarHBondContact OE1-NH1 3.06Å; G108-R111 WeakPolarHBondContact O-CB 3.47Å; G108-R111 VanDerWaalsContact O-CG 3.32Å; G108-R111 WeakPolarHBondContact O-CG 3.11Å; G108-R111 PolarHBondContact O-N 2.88Å; P109-R111 PolarHBondContact O-N 3.05Å; P109-R111 VanDerWaalsContact O-N 3.1Å; R111-I115 WeakPolarHBondContact O-CD1 3.43Å; R111-I115 WeakPolarHBondContact O-CG1 3.19Å; R111-I115 PolarHBondContact O-N 3.33Å; R111-E383 PolarHBondContact NH2-O 3.02Å; R111-G384 VanDerWaalsContact NH2-C 3.28Å; R111-G384 PolarHBondContact NH2-O 2.97Å; R111-G385 PolarHBondContact NE-O 3.07Å; R111-G385 PolarHBondContact NH2-O 3.38Å; R111-L388 HydrophobicContact CB-CD2 4.46Å; R111-L388 HydrophobicContact CG-CD2 4Å; R111-L391 HydrophobicContact CB-CD2 3.75Å; R111-L391 HydrophobicContact CG-CD2 4.07Å
112	L	98.4	Very high	96.5	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-77.5	-30.3	-179.6	-55.8	-154.9	0	0	0	112	L90 L94 P109 E110 I115 K116 I209 R211 L382	L90-L112 HydrophobicContact CD1-CD1 4.32Å; L94-L112 HydrophobicContact CB-CD1 3.91Å; P109-L112 PolarHBondContact O-N 2.78Å; P109-L112 VanDerWaalsContact O-N 3.1Å; E110-L112 PolarHBondContact O-N 3.14Å; L112-I115 HydrophobicContact CD2-CD1 4.31Å; L112-K116 VanDerWaalsContact O-CB 3.26Å; L112-K116 WeakPolarHBondContact O-CB 3.38Å; L112-K116 PolarHBondContact O-N 3.07Å; L112-I209 HydrophobicContact CD1-CG2 4.43Å; L112-I209 HydrophobicContact CD2-CG2 3.86Å; L112-R211 HydrophobicContact CD1-CG 3.93Å; L112-R211 HydrophobicContact CD2-CG 4.28Å; L112-R211 HydrophobicContact CG-CG 3.96Å; L112-L382 HydrophobicContact CD2-CD2 3.64Å
113	H	98.1	Very high	96.5	Very high	82 Å²	82	55.6 Å²	55.6	38%	0.38	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-49.9	174.2	-72.2	79.9	0	0	0	111.2	N95 P109 E110 I115 K116 E117	N95-H113 VanDerWaalsContact CG-CE1 3.46Å; N95-H113 PolarHBondContact ND2-CE1 3.07Å; P109-H113 PolarHBondContact O-N 3.22Å; P109-H113 PolarHBondContact O-ND1 3.17Å; E110-H113 PolarHBondContact O-N 3.04Å; H113-I115 PolarHBondContact O-N 3.2Å; H113-K116 PolarHBondContact O-N 2.97Å; H113-E117 WeakPolarHBondContact O-CG 3.43Å; H113-E117 PolarHBondContact O-N 3.38Å
114	A	98.4	Very high	96.5	Very high	20 Å²	20	47.6 Å²	47.6	17%	0.165	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-43.2	179.1	0	0	0	0	0	112.4	E110 Q118 L388 A392	E110-A114 WeakPolarHBondContact O-CB 3.25Å; E110-A114 PolarHBondContact O-N 2.77Å; A114-Q118 PolarHBondContact O-N 2.99Å; A114-Q118 VanDerWaalsContact O-N 3.17Å; A114-L388 HydrophobicContact CB-CB 3.92Å; A114-A392 HydrophobicContact CB-CB 4.44Å; A114-A392 WeakPolarHBondContact O-CB 3.43Å
115	I	98.6	Very high	96.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.4	-53.8	172.1	-68.4	165	0	0	0	110.2	R111 L112 H113 E117 Q118 L119 I209 L382 L391 V395	R111-I115 WeakPolarHBondContact O-CD1 3.43Å; R111-I115 WeakPolarHBondContact O-CG1 3.19Å; R111-I115 PolarHBondContact O-N 3.33Å; L112-I115 HydrophobicContact CD2-CD1 4.31Å; H113-I115 PolarHBondContact O-N 3.2Å; I115-E117 VanDerWaalsContact C-N 3.31Å; I115-E117 PolarHBondContact O-N 3.32Å; I115-Q118 PolarHBondContact O-N 3.18Å; I115-Q118 VanDerWaalsContact O-N 3.16Å; I115-L119 HydrophobicContact CG2-CD1 3.78Å; I115-L119 HydrophobicContact CG2-CG 4.02Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 2.98Å; I115-I209 HydrophobicContact CB-CG2 4.5Å; I115-I209 HydrophobicContact CD1-CG2 4.05Å; I115-I209 HydrophobicContact CG2-CD1 4.25Å; I115-I209 HydrophobicContact CG2-CG1 4.42Å; I115-I209 HydrophobicContact CG2-CG2 3.95Å; I115-L382 HydrophobicContact CD1-CD2 3.57Å; I115-L391 HydrophobicContact CD1-CD1 4.07Å; I115-L391 HydrophobicContact CD1-CD2 4.02Å; I115-L391 HydrophobicContact CD1-CG 3.92Å; I115-L391 HydrophobicContact CG1-CD2 4.26Å; I115-L391 HydrophobicContact CG1-CG 3.96Å; I115-V395 HydrophobicContact CD1-CG2 3.97Å; I115-V395 HydrophobicContact CG1-CB 4.35Å; I115-V395 HydrophobicContact CG1-CG1 4.47Å; I115-V395 HydrophobicContact CG1-CG2 4.12Å; I115-V395 HydrophobicContact CG2-CB 4.38Å; I115-V395 HydrophobicContact CG2-CG1 3.68Å
116	K	98.1	Very high	96.5	Very high	66 Å²	66	50.6 Å²	50.6	29%	0.287	26%	0.261	S	S	.	.	H	α-helix	trans	-59.6	-40.4	-176.3	-178.3	-177.8	172.3	-172.2	0	112.3	L90 E92 L112 H113 L119 I120	L90-K116 HydrophobicContact CD2-CB 4.11Å; L90-K116 HydrophobicContact CD2-CD 4.22Å; L90-K116 HydrophobicContact CD2-CG 3.98Å; E92-K116 IonicContact OE1-NZ 3.95Å; E92-K116 PolarHBondContact OE1-NZ 2.91Å; L112-K116 VanDerWaalsContact O-CB 3.26Å; L112-K116 WeakPolarHBondContact O-CB 3.38Å; L112-K116 PolarHBondContact O-N 3.07Å; H113-K116 PolarHBondContact O-N 2.97Å; K116-L119 PolarHBondContact O-N 2.86Å; K116-I120 HydrophobicContact CG-CD1 3.98Å; K116-I120 WeakPolarHBondContact O-CD1 3.38Å; K116-I120 VanDerWaalsContact O-CG1 3.24Å; K116-I120 WeakPolarHBondContact O-CG1 3.37Å; K116-I120 PolarHBondContact O-N 3.1Å
117	E	97.8	Very high	96.5	Very high	135 Å²	135	53.3 Å²	53.3	63%	0.631	27%	0.266	S	S	*	.	H	α-helix	trans	-62.6	-44.3	176.3	-73.3	-178	173.1	0	0	111.7	H113 I115 I120 Q121	H113-E117 WeakPolarHBondContact O-CG 3.43Å; H113-E117 PolarHBondContact O-N 3.38Å; I115-E117 VanDerWaalsContact C-N 3.31Å; I115-E117 PolarHBondContact O-N 3.32Å; E117-I120 PolarHBondContact O-N 2.88Å; E117-Q121 WeakPolarHBondContact O-CB 3.12Å; E117-Q121 PolarHBondContact O-N 2.79Å
118	Q	97.1	Very high	96.4	Very high	36 Å²	36	54 Å²	54	17%	0.168	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-46.3	175.1	-167.3	76	15.9	0	0	112.1	A114 I115 I120 Q121 E122 A392 S396	A114-Q118 PolarHBondContact O-N 2.99Å; A114-Q118 VanDerWaalsContact O-N 3.17Å; I115-Q118 PolarHBondContact O-N 3.18Å; I115-Q118 VanDerWaalsContact O-N 3.16Å; Q118-I120 PolarHBondContact O-N 3.32Å; Q118-Q121 PolarHBondContact O-N 2.69Å; Q118-E122 PolarHBondContact NE2-OE1 2.96Å; Q118-E122 PolarHBondContact O-N 3.13Å; Q118-A392 HydrophobicContact CB-CB 3.84Å; Q118-A392 HydrophobicContact CG-CB 4.31Å; Q118-S396 WeakPolarHBondContact CG-OG 3.35Å
119	L	96.7	Very high	96.4	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-27.2	179.2	-64.2	-172.7	0	0	0	113	L88 I115 K116 G123 L124 L125 L399	L88-L119 HydrophobicContact CD2-CD1 4.35Å; I115-L119 HydrophobicContact CG2-CD1 3.78Å; I115-L119 HydrophobicContact CG2-CG 4.02Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 2.98Å; K116-L119 PolarHBondContact O-N 2.86Å; L119-G123 PolarHBondContact O-N 3.34Å; L119-L124 HydrophobicContact CD2-CB 4.1Å; L119-L124 HydrophobicContact CD2-CD1 3.79Å; L119-L124 HydrophobicContact CD2-CG 4.49Å; L119-L124 PolarHBondContact O-N 3.07Å; L119-L125 HydrophobicContact CB-CD2 3.64Å; L119-L125 HydrophobicContact CB-CG 3.89Å; L119-L125 HydrophobicContact CD1-CD2 3.82Å; L119-L125 HydrophobicContact CG-CD2 4.39Å; L119-L125 PolarHBondContact O-N 2.9Å; L119-L399 HydrophobicContact CD1-CD2 4.14Å; L119-L399 HydrophobicContact CD2-CD2 3.64Å
120	I	96	Very high	96.4	Very high	100 Å²	100	60.5 Å²	60.5	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-74.9	-47.3	169.4	-70.3	165.9	0	0	0	110.5	K116 E117 Q118 E122 G123 L125	K116-I120 HydrophobicContact CG-CD1 3.98Å; K116-I120 WeakPolarHBondContact O-CD1 3.38Å; K116-I120 VanDerWaalsContact O-CG1 3.24Å; K116-I120 WeakPolarHBondContact O-CG1 3.37Å; K116-I120 PolarHBondContact O-N 3.1Å; E117-I120 PolarHBondContact O-N 2.88Å; Q118-I120 PolarHBondContact O-N 3.32Å; I120-E122 VanDerWaalsContact C-N 3.29Å; I120-E122 PolarHBondContact O-N 3.45Å; I120-G123 PolarHBondContact O-N 3.05Å; I120-G123 VanDerWaalsContact O-N 3.08Å; I120-L125 HydrophobicContact CD1-CD1 4.26Å; I120-L125 HydrophobicContact CG1-CD1 3.52Å; I120-L125 HydrophobicContact CG1-CG 4.33Å
121	Q	94.8	Very high	96.3	Very high	157 Å²	157	56.4 Å²	56.4	73%	0.734	29%	0.294	S	S	*	.	H	α-helix	trans	-60.7	-36.1	-177	-173.9	176.7	-73.7	0	0	112.9	E117 Q118	E117-Q121 WeakPolarHBondContact O-CB 3.12Å; E117-Q121 PolarHBondContact O-N 2.79Å; Q118-Q121 PolarHBondContact O-N 2.69Å
122	E	93.1	Very high	96.2	Very high	60 Å²	60	64.9 Å²	64.9	28%	0.28	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	0.1	177.9	-69	172.3	174.8	0	0	113.5	Q118 I120 L124 S396 H400	Q118-E122 PolarHBondContact NE2-OE1 2.96Å; Q118-E122 PolarHBondContact O-N 3.13Å; I120-E122 VanDerWaalsContact C-N 3.29Å; I120-E122 PolarHBondContact O-N 3.45Å; E122-L124 VanDerWaalsContact C-N 3.27Å; E122-L124 HydrophobicContact CB-CD1 4.39Å; E122-L124 HydrophobicContact CB-CG 3.98Å; E122-L124 PolarHBondContact O-N 2.82Å; E122-S396 WeakPolarHBondContact OE2-CB 3.39Å; E122-S396 PolarHBondContact OE2-OG 2.91Å; E122-H400 IonicContact OE2-NE2 3.09Å
123	G	94	Very high	96.1	Very high	27 Å²	27	65.6 Å²	65.6	28%	0.278	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	24.3	178.9	0	0	0	0	0	114.3	L119 I120 R127	L119-G123 PolarHBondContact O-N 3.34Å; I120-G123 PolarHBondContact O-N 3.05Å; I120-G123 VanDerWaalsContact O-N 3.08Å; G123-R127 WeakPolarHBondContact O-CG 3.38Å
124	L	94.6	Very high	96	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.332	C	S	.	.			trans	-76.6	-31.8	-177	-62.4	-173.8	0	0	0	112.8	L119 E122 D126 R127 C128 L399 L403	L119-L124 HydrophobicContact CD2-CB 4.1Å; L119-L124 HydrophobicContact CD2-CD1 3.79Å; L119-L124 HydrophobicContact CD2-CG 4.49Å; L119-L124 PolarHBondContact O-N 3.07Å; E122-L124 VanDerWaalsContact C-N 3.27Å; E122-L124 HydrophobicContact CB-CD1 4.39Å; E122-L124 HydrophobicContact CB-CG 3.98Å; E122-L124 PolarHBondContact O-N 2.82Å; L124-D126 VanDerWaalsContact C-N 3.29Å; L124-D126 PolarHBondContact O-N 2.88Å; L124-R127 WeakPolarHBondContact O-CB 3.3Å; L124-R127 PolarHBondContact O-N 3.18Å; L124-C128 PolarHBondContact O-N 2.78Å; L124-L399 HydrophobicContact CB-CD2 4.03Å; L124-L399 HydrophobicContact CD1-CB 4.39Å; L124-L399 HydrophobicContact CD1-CD2 4.22Å; L124-L403 HydrophobicContact CD2-CD1 4.02Å
125	L	93.9	Very high	96.1	Very high	49 Å²	49	68.5 Å²	68.5	26%	0.257	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-56.8	-42.7	177.3	-63	-170.1	0	0	0	112.3	L88 L119 I120 R127 C128	L88-L125 HydrophobicContact CD2-CD2 3.4Å; L88-L125 VanDerWaalsContact CD2-CD2 3.4Å; L119-L125 HydrophobicContact CB-CD2 3.64Å; L119-L125 HydrophobicContact CB-CG 3.89Å; L119-L125 HydrophobicContact CD1-CD2 3.82Å; L119-L125 HydrophobicContact CG-CD2 4.39Å; L119-L125 PolarHBondContact O-N 2.9Å; I120-L125 HydrophobicContact CD1-CD1 4.26Å; I120-L125 HydrophobicContact CG1-CD1 3.52Å; I120-L125 HydrophobicContact CG1-CG 4.33Å; L125-R127 PolarHBondContact O-N 3.08Å; L125-C128 PolarHBondContact O-N 2.76Å
126	D	93.3	Very high	96.1	Very high	157 Å²	157	69 Å²	69	84%	0.84	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-71.4	-13.4	-179.3	-66.8	-30.4	0	0	0	113.4	L124	L124-D126 VanDerWaalsContact C-N 3.29Å; L124-D126 PolarHBondContact O-N 2.88Å
127	R	94.4	Very high	96.1	Very high	97 Å²	97	71.8 Å²	71.8	37%	0.366	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-93.7	-18.3	177.8	-61.9	173.4	63.6	-169.2	2.1	112.8	G123 L124 L125 L403 D405	G123-R127 WeakPolarHBondContact O-CG 3.38Å; L124-R127 WeakPolarHBondContact O-CB 3.3Å; L124-R127 PolarHBondContact O-N 3.18Å; L125-R127 PolarHBondContact O-N 3.08Å; R127-L403 HydrophobicContact CB-CD1 3.95Å; R127-L403 HydrophobicContact CB-CD2 4.05Å; R127-L403 WeakPolarHBondContact O-CD2 3.01Å; R127-D405 IonicContact CZ-OD1 3.26Å; R127-D405 IonicContact CZ-OD2 2.67Å; R127-D405 VanDerWaalsContact CZ-OD2 3.3Å; R127-D405 IonicContact NH1-OD1 3.89Å; R127-D405 IonicContact NH1-OD2 2.97Å; R127-D405 PolarHBondContact NH1-OD2 3.1Å; R127-D405 IonicContact NH2-OD1 2.7Å; R127-D405 PolarHBondContact NH2-OD1 3.2Å; R127-D405 IonicContact NH2-OD2 3.27Å; R127-D405 PolarHBondContact NH2-OD2 3.37Å
128	C	96.6	Very high	96.1	Very high	15 Å²	15	67.8 Å²	67.8	10%	0.101	34%	0.344	C	S	.	.	S	Bend	trans	-90.9	151.7	-179.1	-71.4	0	0	0	0	112.5	T86 L88 L124 L125 S130	T86-C128 CarbonylContact O-C 3.6Å; T86-C128 WeakPolarHBondContact O-CA 3.3Å; L88-C128 HydrophobicContact CB-CB 3.61Å; L88-C128 HydrophobicContact CD2-CB 4.13Å; L124-C128 PolarHBondContact O-N 2.78Å; L125-C128 PolarHBondContact O-N 2.76Å; C128-S130 PolarHBondContact O-N 3.05Å
129	V	97.1	Very high	96.1	Very high	60 Å²	60	72.3 Å²	72.3	36%	0.364	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	98	167.2	-174.6	0	0	0	0	107.5	T86 G87 L88 F131 I203	T86-V129 PolarHBondContact O-N 2.94Å; G87-V129 WeakPolarHBondContact CA-O 3.43Å; L88-V129 PolarHBondContact N-O 2.74Å; V129-F131 HydrophobicContact CB-CE2 3.9Å; V129-F131 HydrophobicContact CB-CZ 4.35Å; V129-F131 HydrophobicContact CG1-CD2 4.3Å; V129-F131 HydrophobicContact CG1-CE1 4.3Å; V129-F131 HydrophobicContact CG1-CE2 3.54Å; V129-F131 HydrophobicContact CG1-CZ 3.55Å; V129-F131 WeakPolarHBondContact O-CD2 3.48Å; V129-F131 WeakPolarHBondContact O-CE2 3.36Å; V129-F131 PolarHBondContact O-N 3.13Å; V129-I203 HydrophobicContact CB-CG2 4.13Å; V129-I203 HydrophobicContact CG1-CG2 4.34Å; V129-I203 HydrophobicContact CG2-CG2 4.14Å
130	S	96.8	Very high	96.2	Very high	99 Å²	99	73 Å²	73	69%	0.692	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	125.8	177.6	-172.3	0	0	0	0	110.8	L88 C128	L88-S130 WeakPolarHBondContact O-CA 3.43Å; C128-S130 PolarHBondContact O-N 3.05Å
131	F	96.9	Very high	96.3	Very high	21 Å²	21	68.2 Å²	68.2	9%	0.092	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.9	171.3	-69.1	-80.9	0	0	0	110.3	L88 V89 V129 R193 L194 A197 I203	L88-F131 PolarHBondContact O-N 3.16Å; V89-F131 HydrophobicContact CG2-CB 3.88Å; V129-F131 HydrophobicContact CB-CE2 3.9Å; V129-F131 HydrophobicContact CB-CZ 4.35Å; V129-F131 HydrophobicContact CG1-CD2 4.3Å; V129-F131 HydrophobicContact CG1-CE1 4.3Å; V129-F131 HydrophobicContact CG1-CE2 3.54Å; V129-F131 HydrophobicContact CG1-CZ 3.55Å; V129-F131 WeakPolarHBondContact O-CD2 3.48Å; V129-F131 WeakPolarHBondContact O-CE2 3.36Å; V129-F131 PolarHBondContact O-N 3.13Å; F131-R193 HydrophobicContact CB-CG 4.09Å; F131-R193 VanDerWaalsContact CE1-NH2 3.28Å; F131-R193 HydrophobicContact CG-CG 4.46Å; F131-L194 HydrophobicContact CD2-CD2 4.06Å; F131-A197 HydrophobicContact CE1-CB 4.35Å; F131-A197 HydrophobicContact CE2-CB 4.28Å; F131-A197 HydrophobicContact CZ-CB 3.96Å; F131-I203 HydrophobicContact CE2-CD1 3.84Å; F131-I203 HydrophobicContact CE2-CG2 3.79Å; F131-I203 HydrophobicContact CZ-CD1 4.39Å; F131-I203 HydrophobicContact CZ-CG2 3.82Å
132	Q	95.1	Very high	96.5	Very high	178 Å²	178	65 Å²	65	83%	0.832	33%	0.33	S	S	*	.			trans	-65.4	136.1	169.3	-70.4	-177.6	-26.1	0	0	109.7
133	A	95.9	Very high	96.8	Very high	17 Å²	17	64 Å²	64	14%	0.14	33%	0.327	C	S	.	.			trans	-63.9	158.5	169.5	0	0	0	0	0	110.6	V89 D91 L186 S190	V89-A133 HydrophobicContact CG1-CB 3.77Å; D91-A133 HydrophobicContact CB-CB 3.74Å; A133-L186 HydrophobicContact CB-CD1 3.51Å; A133-L186 HydrophobicContact CB-CG 3.95Å; A133-S190 VanDerWaalsContact CB-OG 3.27Å; A133-S190 WeakPolarHBondContact CB-OG 3.48Å
134	R	97.8	Very high	97	Very high	61 Å²	61	63 Å²	63	23%	0.23	32%	0.315	C	S	.	.			trans	-136.8	154.8	169.6	67.4	172.1	-170.9	88	-11.2	109.3	E140 L186 G189 L192 Y237	R134-E140 IonicContact CZ-OE1 3.8Å; R134-E140 IonicContact CZ-OE2 3.59Å; R134-E140 IonicContact NH1-OE1 3.92Å; R134-E140 IonicContact NH1-OE2 3.59Å; R134-E140 PolarHBondContact NH1-OE2 3.43Å; R134-E140 VanDerWaalsContact NH2-CD 3.35Å; R134-E140 IonicContact NH2-OE1 2.84Å; R134-E140 PolarHBondContact NH2-OE1 3.38Å; R134-E140 IonicContact NH2-OE2 3.49Å; R134-E140 PolarHBondContact NH2-OE2 3.33Å; R134-L186 VanDerWaalsContact C-CD1 3.5Å; R134-G189 WeakPolarHBondContact CG-O 3.47Å; R134-G189 CarbonylContact O-C 3.52Å; R134-G189 WeakPolarHBondContact O-CA 3.41Å; R134-L192 VanDerWaalsContact NH2-CB 3.34Å; R134-Y237 PolarHBondContact NH2-OH 2.64Å
135	F	98.6	Very high	97.2	Very high	102 Å²	102	63.2 Å²	63.2	45%	0.447	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-69.3	142.8	166.1	-56.3	-83.2	0	0	0	109.5	S182 C185 L186	F135-S182 WeakPolarHBondContact CE1-O 3.43Å; F135-C185 HydrophobicContact CB-CB 4.4Å; F135-C185 HydrophobicContact CD1-CB 4.08Å; F135-L186 HydrophobicContact CD1-CB 3.87Å; F135-L186 HydrophobicContact CD1-CD1 4.19Å; F135-L186 HydrophobicContact CD2-CD1 4.41Å; F135-L186 HydrophobicContact CE1-CB 3.79Å; F135-L186 HydrophobicContact CE1-CD1 4.07Å; F135-L186 HydrophobicContact CE1-CD2 4.36Å; F135-L186 HydrophobicContact CE1-CG 4.3Å; F135-L186 HydrophobicContact CE2-CD1 4.28Å; F135-L186 HydrophobicContact CG-CD1 4.36Å; F135-L186 HydrophobicContact CZ-CD1 4.11Å; F135-L186 HydrophobicContact CZ-CD2 4.44Å
136	A	98.6	Very high	97.4	Very high	10 Å²	10	61.6 Å²	61.6	8%	0.083	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-70.6	141.8	165	0	0	0	0	0	110	E140 L141 C185	A136-E140 WeakPolarHBondContact CA-OE2 3.44Å; A136-L141 HydrophobicContact CB-CD2 3.97Å; A136-L141 HydrophobicContact CB-CG 4.16Å; A136-C185 PolarHBondContact N-O 3.1Å
137	E	98.2	Very high	97.6	Very high	126 Å²	126	57.4 Å²	57.4	59%	0.589	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-75.5	155.8	171.2	-60.9	-175.2	157.1	0	0	109.9	E139 E140 L141	E137-E139 PolarHBondContact O-N 2.82Å; E137-E140 HydrophobicContact CB-CG 4.09Å; E137-E140 PolarHBondContact N-OE2 3.34Å; E137-E140 WeakPolarHBondContact O-CA 3.39Å; E137-E140 WeakPolarHBondContact O-CB 3.4Å; E137-E140 PolarHBondContact O-N 2.71Å; E137-L141 PolarHBondContact O-N 2.95Å; E137-L141 VanDerWaalsContact O-N 3.16Å
138	K	97.9	Very high	97.8	Very high	51 Å²	51	59.2 Å²	59.2	22%	0.222	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-37.7	-176.2	-164.4	157.7	-173	168.7	0	111.2	E140 L141 M142 I150 D151 E154	K138-E140 VanDerWaalsContact C-N 3.27Å; K138-E140 PolarHBondContact O-N 3.41Å; K138-L141 PolarHBondContact O-N 3.17Å; K138-M142 WeakPolarHBondContact O-CB 3.47Å; K138-M142 VanDerWaalsContact O-CG 3.27Å; K138-M142 WeakPolarHBondContact O-CG 3.37Å; K138-M142 PolarHBondContact O-N 2.9Å; K138-I150 HydrophobicContact CD-CG2 4.4Å; K138-I150 HydrophobicContact CG-CG2 4.05Å; K138-D151 VanDerWaalsContact CE-OD1 3.31Å; K138-D151 WeakPolarHBondContact CE-OD1 3.32Å; K138-D151 IonicContact NZ-OD1 2.71Å; K138-D151 PolarHBondContact NZ-OD1 3.31Å; K138-E154 IonicContact NZ-OE2 3.19Å; K138-E154 PolarHBondContact NZ-OE2 2.87Å
139	E	98.1	Very high	97.9	Very high	131 Å²	131	58.8 Å²	58.8	61%	0.612	30%	0.295	S	S	*	.	H	α-helix	trans	-62.5	-27.2	172.8	-67.7	75.2	-172.9	0	0	113.4	E137	E137-E139 PolarHBondContact O-N 2.82Å
140	E	98.7	Very high	98	Very high	14 Å²	14	56 Å²	56	7%	0.065	28%	0.278	C	S	.	.	H	α-helix	trans	-79.4	-39.2	174.7	-61.5	176.6	139.6	0	0	111	R134 A136 E137 K138 L143 L192 V233 Y237	R134-E140 IonicContact CZ-OE1 3.8Å; R134-E140 IonicContact CZ-OE2 3.59Å; R134-E140 IonicContact NH1-OE1 3.92Å; R134-E140 IonicContact NH1-OE2 3.59Å; R134-E140 PolarHBondContact NH1-OE2 3.43Å; R134-E140 VanDerWaalsContact NH2-CD 3.35Å; R134-E140 IonicContact NH2-OE1 2.84Å; R134-E140 PolarHBondContact NH2-OE1 3.38Å; R134-E140 IonicContact NH2-OE2 3.49Å; R134-E140 PolarHBondContact NH2-OE2 3.33Å; A136-E140 WeakPolarHBondContact CA-OE2 3.44Å; E137-E140 HydrophobicContact CB-CG 4.09Å; E137-E140 PolarHBondContact N-OE2 3.34Å; E137-E140 WeakPolarHBondContact O-CA 3.39Å; E137-E140 WeakPolarHBondContact O-CB 3.4Å; E137-E140 PolarHBondContact O-N 2.71Å; K138-E140 VanDerWaalsContact C-N 3.27Å; K138-E140 PolarHBondContact O-N 3.41Å; E140-L143 WeakPolarHBondContact O-CB 3.23Å; E140-L143 VanDerWaalsContact O-CG 3.26Å; E140-L143 WeakPolarHBondContact O-CG 3.33Å; E140-L143 PolarHBondContact O-N 3.34Å; E140-L192 HydrophobicContact CB-CD1 3.91Å; E140-L192 HydrophobicContact CG-CD1 4.17Å; E140-L192 WeakPolarHBondContact OE2-CD1 3.46Å; E140-V233 WeakPolarHBondContact O-CG1 3.42Å; E140-Y237 HydrophobicContact CG-CD2 4.19Å; E140-Y237 HydrophobicContact CG-CE2 3.8Å; E140-Y237 WeakPolarHBondContact OE1-CE2 3.47Å; E140-Y237 PolarHBondContact OE1-OH 3.02Å
141	L	98.8	Very high	98.1	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-35.5	173.5	-61.3	176.6	0	0	0	112.1	A136 E137 K138 L143 V144 H145 I150 S188 F228	A136-L141 HydrophobicContact CB-CD2 3.97Å; A136-L141 HydrophobicContact CB-CG 4.16Å; E137-L141 PolarHBondContact O-N 2.95Å; E137-L141 VanDerWaalsContact O-N 3.16Å; K138-L141 PolarHBondContact O-N 3.17Å; L141-L143 PolarHBondContact O-N 3.5Å; L141-V144 PolarHBondContact O-N 3.44Å; L141-V144 VanDerWaalsContact O-N 3.15Å; L141-H145 PolarHBondContact O-N 3.28Å; L141-I150 HydrophobicContact CB-CD1 3.76Å; L141-I150 HydrophobicContact CB-CG1 4.29Å; L141-I150 HydrophobicContact CD1-CG2 4.15Å; L141-S188 WeakPolarHBondContact CD2-OG 3.24Å; L141-F228 HydrophobicContact CD1-CD2 3.99Å; L141-F228 HydrophobicContact CD1-CE1 4.48Å; L141-F228 HydrophobicContact CD1-CE2 3.73Å; L141-F228 HydrophobicContact CD1-CG 4.5Å; L141-F228 HydrophobicContact CD1-CZ 4.01Å; L141-F228 HydrophobicContact CD2-CB 4.21Å; L141-F228 HydrophobicContact CD2-CD2 4Å; L141-F228 HydrophobicContact CD2-CG 4.04Å
142	M	98.6	Very high	98.1	Very high	88 Å²	88	56.8 Å²	56.8	43%	0.433	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-3.9	175.5	-77.6	179.1	67.7	0	0	114.6	K138 V144 H145 L147 I150	K138-M142 WeakPolarHBondContact O-CB 3.47Å; K138-M142 VanDerWaalsContact O-CG 3.27Å; K138-M142 WeakPolarHBondContact O-CG 3.37Å; K138-M142 PolarHBondContact O-N 2.9Å; M142-V144 VanDerWaalsContact C-N 3.26Å; M142-H145 WeakPolarHBondContact CA-O 3.31Å; M142-L147 HydrophobicContact CE-CB 4.18Å; M142-L147 HydrophobicContact SD-CB 4.39Å; M142-L147 HydrophobicContact SD-CD1 3.97Å; M142-I150 HydrophobicContact CB-CD1 4.38Å; M142-I150 HydrophobicContact CG-CD1 3.56Å
143	L	98.6	Very high	98.3	Very high	40 Å²	40	48.3 Å²	48.3	21%	0.209	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.1	172.1	-57.4	-178.9	0	0	0	113.4	E140 L141 R236 Y237	E140-L143 WeakPolarHBondContact O-CB 3.23Å; E140-L143 VanDerWaalsContact O-CG 3.26Å; E140-L143 WeakPolarHBondContact O-CG 3.33Å; E140-L143 PolarHBondContact O-N 3.34Å; L141-L143 PolarHBondContact O-N 3.5Å; L143-R236 HydrophobicContact CB-CB 3.74Å; L143-R236 HydrophobicContact CB-CG 4.37Å; L143-R236 HydrophobicContact CD1-CB 4.16Å; L143-Y237 HydrophobicContact CD1-CD2 4.31Å
144	V	98.6	Very high	98.4	Very high	7 Å²	7	50.5 Å²	50.5	4%	0.042	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-34.8	179	175	0	0	0	0	112.2	L141 M142 H219 N229 A232 V233 R236 T263	L141-V144 PolarHBondContact O-N 3.44Å; L141-V144 VanDerWaalsContact O-N 3.15Å; M142-V144 VanDerWaalsContact C-N 3.26Å; V144-H219 PolarHBondContact O-CD2 2.82Å; V144-N229 HydrophobicContact CG1-CB 4.39Å; V144-A232 HydrophobicContact CG1-CB 4.22Å; V144-A232 HydrophobicContact CG2-CB 3.87Å; V144-V233 HydrophobicContact CB-CG2 3.85Å; V144-V233 HydrophobicContact CG2-CB 4.42Å; V144-V233 HydrophobicContact CG2-CG2 3.73Å; V144-R236 HydrophobicContact CG2-CG 3.94Å; V144-T263 HydrophobicContact CG1-CG2 3.89Å; V144-T263 HydrophobicContact CG2-CG2 4.07Å
145	H	98.7	Very high	98.4	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.019	25%	0.251	C	S	.	.	S	Bend	trans	-107.2	150.8	-173	-58.6	-77.5	0	0	0	113.1	L141 M142 Y149 I150 Q218 H219 F228 N229	L141-H145 PolarHBondContact O-N 3.28Å; M142-H145 WeakPolarHBondContact CA-O 3.31Å; H145-Y149 HydrophobicContact CB-CD1 4.08Å; H145-Y149 AromaticContact ND1-CE1 3.87Å; H145-I150 HydrophobicContact CB-CD1 4.04Å; H145-I150 HydrophobicContact CB-CG1 3.93Å; H145-Q218 PolarHBondContact CE1-O 3.1Å; H145-Q218 VanDerWaalsContact CE1-O 3.31Å; H145-Q218 PolarHBondContact ND1-O 2.91Å; H145-H219 CarbonylContact C-O 3.34Å; H145-H219 VanDerWaalsContact CA-O 3.24Å; H145-H219 WeakPolarHBondContact CA-O 3.44Å; H145-F228 AromaticContact CD2-CD1 3.81Å; H145-F228 WeakPolarHBondContact NE2-CA 3.41Å; H145-N229 PolarHBondContact CE1-N 2.81Å; H145-N229 PolarHBondContact NE2-N 3.29Å
146	S	98.4	Very high	98.4	Very high	14 Å²	14	45.8 Å²	45.8	10%	0.098	23%	0.229	C	C	.	.			trans	-72.9	147.4	176.3	101.9	0	0	0	0	111.7	E148 Y149 I150 H219 S220	S146-E148 VanDerWaalsContact C-N 3.26Å; S146-E148 WeakPolarHBondContact CB-OE2 3.37Å; S146-E148 PolarHBondContact O-N 3.1Å; S146-E148 PolarHBondContact OG-OE2 3.2Å; S146-Y149 PolarHBondContact O-N 3.24Å; S146-Y149 PolarHBondContact OG-N 3.16Å; S146-I150 WeakPolarHBondContact O-CG1 3.4Å; S146-I150 PolarHBondContact O-N 2.94Å; S146-H219 WeakPolarHBondContact CB-CE1 3.35Å; S146-H219 PolarHBondContact N-O 3.06Å; S146-S220 WeakPolarHBondContact CB-OG 3.47Å; S146-S220 PolarHBondContact OG-OG 2.91Å
147	L	98.2	Very high	98.4	Very high	70 Å²	70	48.5 Å²	48.5	37%	0.366	24%	0.24	S	C	.	.	H	α-helix	trans	-59.3	-39.6	179.9	176	58	0	0	0	111.5	M142 Y149 I150 D151	M142-L147 HydrophobicContact CE-CB 4.18Å; M142-L147 HydrophobicContact SD-CB 4.39Å; M142-L147 HydrophobicContact SD-CD1 3.97Å; L147-Y149 VanDerWaalsContact C-N 3.3Å; L147-Y149 PolarHBondContact O-N 2.99Å; L147-I150 PolarHBondContact O-N 3.36Å; L147-D151 WeakPolarHBondContact O-CB 3.44Å; L147-D151 VanDerWaalsContact O-CG 3.26Å; L147-D151 PolarHBondContact O-N 3.21Å
148	E	98.3	Very high	98.3	Very high	134 Å²	134	51 Å²	51	63%	0.626	25%	0.246	S	C	*	.	H	α-helix	trans	-65.2	-34.1	-179.9	-50.3	77.1	-170.8	0	0	112.1	S146 L152	S146-E148 VanDerWaalsContact C-N 3.26Å; S146-E148 WeakPolarHBondContact CB-OE2 3.37Å; S146-E148 PolarHBondContact O-N 3.1Å; S146-E148 PolarHBondContact OG-OE2 3.2Å; E148-L152 WeakPolarHBondContact O-CB 3.42Å; E148-L152 PolarHBondContact O-N 3.2Å
149	Y	98.3	Very high	98.3	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.027	25%	0.245	C	C	.	.	H	α-helix	trans	-74.3	-42.9	174.6	172.7	-105.8	0	0	0	111.5	H145 S146 L147 D151 L152 M153 S220 L221 M222 M227 F228	H145-Y149 HydrophobicContact CB-CD1 4.08Å; H145-Y149 AromaticContact ND1-CE1 3.87Å; S146-Y149 PolarHBondContact O-N 3.24Å; S146-Y149 PolarHBondContact OG-N 3.16Å; L147-Y149 VanDerWaalsContact C-N 3.3Å; L147-Y149 PolarHBondContact O-N 2.99Å; Y149-D151 VanDerWaalsContact C-N 3.34Å; Y149-D151 PolarHBondContact O-N 3.28Å; Y149-L152 PolarHBondContact O-N 2.9Å; Y149-M153 HydrophobicContact CD1-CG 4.4Å; Y149-M153 HydrophobicContact CD2-CE 4.27Å; Y149-M153 HydrophobicContact CD2-CG 4.23Å; Y149-M153 HydrophobicContact CE1-CG 4.01Å; Y149-M153 HydrophobicContact CE2-CE 3.82Å; Y149-M153 HydrophobicContact CE2-CG 3.8Å; Y149-M153 HydrophobicContact CE2-SD 3.9Å; Y149-M153 WeakPolarHBondContact O-CG 3.42Å; Y149-M153 PolarHBondContact O-N 3.46Å; Y149-S220 WeakPolarHBondContact CD2-O 3.39Å; Y149-L221 PolarHBondContact OH-O 2.95Å; Y149-M222 HydrophobicContact CE2-CG 4.17Å; Y149-M222 WeakPolarHBondContact OH-CG 3.36Å; Y149-M222 PolarHBondContact OH-N 3.16Å; Y149-M227 WeakPolarHBondContact CE1-O 3.26Å; Y149-M227 PolarHBondContact OH-O 2.9Å; Y149-F228 HydrophobicContact CD1-CE1 4.17Å; Y149-F228 AromaticContact CE1-CD1 3.93Å; Y149-F228 HydrophobicContact CE1-CD1 3.93Å; Y149-F228 AromaticContact CE1-CE1 3.73Å; Y149-F228 HydrophobicContact CE1-CE1 3.73Å
150	I	98.7	Very high	98.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-40.6	175.9	-55.7	157.8	0	0	0	110.5	K138 L141 M142 H145 S146 L147 M153 E154 Y181 F228	K138-I150 HydrophobicContact CD-CG2 4.4Å; K138-I150 HydrophobicContact CG-CG2 4.05Å; L141-I150 HydrophobicContact CB-CD1 3.76Å; L141-I150 HydrophobicContact CB-CG1 4.29Å; L141-I150 HydrophobicContact CD1-CG2 4.15Å; M142-I150 HydrophobicContact CB-CD1 4.38Å; M142-I150 HydrophobicContact CG-CD1 3.56Å; H145-I150 HydrophobicContact CB-CD1 4.04Å; H145-I150 HydrophobicContact CB-CG1 3.93Å; S146-I150 WeakPolarHBondContact O-CG1 3.4Å; S146-I150 PolarHBondContact O-N 2.94Å; L147-I150 PolarHBondContact O-N 3.36Å; I150-M153 PolarHBondContact O-N 3.26Å; I150-E154 VanDerWaalsContact O-CB 3.25Å; I150-E154 WeakPolarHBondContact O-CB 3.46Å; I150-E154 PolarHBondContact O-N 2.86Å; I150-Y181 HydrophobicContact CG2-CE2 4.25Å; I150-F228 HydrophobicContact CG1-CE1 4.06Å; I150-F228 HydrophobicContact CG2-CZ 4.23Å
151	D	98.4	Very high	98.2	Very high	70 Å²	70	53.1 Å²	53.1	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-57.1	-46.9	171.6	-78.3	-12	0	0	0	111.4	K138 L147 Y149 E154 T155	K138-D151 VanDerWaalsContact CE-OD1 3.31Å; K138-D151 WeakPolarHBondContact CE-OD1 3.32Å; K138-D151 IonicContact NZ-OD1 2.71Å; K138-D151 PolarHBondContact NZ-OD1 3.31Å; L147-D151 WeakPolarHBondContact O-CB 3.44Å; L147-D151 VanDerWaalsContact O-CG 3.26Å; L147-D151 PolarHBondContact O-N 3.21Å; Y149-D151 VanDerWaalsContact C-N 3.34Å; Y149-D151 PolarHBondContact O-N 3.28Å; D151-E154 PolarHBondContact O-N 2.98Å; D151-T155 WeakPolarHBondContact O-CG2 3.43Å; D151-T155 PolarHBondContact O-N 3.1Å; D151-T155 VanDerWaalsContact O-N 3.13Å
152	L	98.3	Very high	98.2	Very high	67 Å²	67	54.8 Å²	54.8	35%	0.351	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-47.7	177.9	-179.7	62.3	0	0	0	111.6	E148 Y149 E154 T155 L167	E148-L152 WeakPolarHBondContact O-CB 3.42Å; E148-L152 PolarHBondContact O-N 3.2Å; Y149-L152 PolarHBondContact O-N 2.9Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 2.89Å; L152-T155 PolarHBondContact O-N 2.99Å; L152-T155 VanDerWaalsContact O-N 3.11Å; L152-T155 PolarHBondContact O-OG1 2.97Å; L152-L167 HydrophobicContact CD1-CD2 4.48Å; L152-L167 HydrophobicContact CD2-CD1 4.3Å
153	M	98.4	Very high	98.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-39.2	176.3	-66.1	-56.9	98.5	0	0	111.4	Y149 I150 T155 T156 L167 Y171 Y181 M222 M227 F228	Y149-M153 HydrophobicContact CD1-CG 4.4Å; Y149-M153 HydrophobicContact CD2-CE 4.27Å; Y149-M153 HydrophobicContact CD2-CG 4.23Å; Y149-M153 HydrophobicContact CE1-CG 4.01Å; Y149-M153 HydrophobicContact CE2-CE 3.82Å; Y149-M153 HydrophobicContact CE2-CG 3.8Å; Y149-M153 HydrophobicContact CE2-SD 3.9Å; Y149-M153 WeakPolarHBondContact O-CG 3.42Å; Y149-M153 PolarHBondContact O-N 3.46Å; I150-M153 PolarHBondContact O-N 3.26Å; M153-T155 VanDerWaalsContact C-N 3.25Å; M153-T155 PolarHBondContact O-N 3.4Å; M153-T156 WeakPolarHBondContact O-CB 3.47Å; M153-T156 WeakPolarHBondContact O-CG2 3.3Å; M153-T156 PolarHBondContact O-N 3.5Å; M153-T156 VanDerWaalsContact O-N 3.07Å; M153-T156 PolarHBondContact O-OG1 2.91Å; M153-L167 HydrophobicContact CE-CD2 4.38Å; M153-Y171 HydrophobicContact CE-CE2 4.19Å; M153-Y181 HydrophobicContact CB-CD2 4.05Å; M153-M222 HydrophobicContact CE-CG 4.28Å; M153-M222 HydrophobicContact CE-SD 4.22Å; M153-M222 HydrophobicContact SD-CG 3.61Å; M153-M222 HydrophobicContact SD-SD 3.55Å; M153-M227 HydrophobicContact CB-SD 4.07Å; M153-M227 HydrophobicContact CG-CG 4.04Å; M153-M227 HydrophobicContact CG-SD 4.19Å; M153-M227 HydrophobicContact SD-CE 3.76Å; M153-M227 HydrophobicContact SD-CG 3.97Å; M153-M227 HydrophobicContact SD-SD 4.14Å; M153-F228 HydrophobicContact CB-CE1 4.38Å; M153-F228 HydrophobicContact CB-CZ 3.91Å; M153-F228 HydrophobicContact CG-CE1 4.2Å; M153-F228 HydrophobicContact CG-CZ 4.2Å
154	E	98.4	Very high	98.2	Very high	64 Å²	64	53.6 Å²	53.6	30%	0.299	27%	0.269	S	S	.	.	H	α-helix	trans	-61.9	-29.4	175.3	-176.5	158.1	-125.2	0	0	112.8	K138 I150 D151 L152 T156 Q157 Y181	K138-E154 IonicContact NZ-OE2 3.19Å; K138-E154 PolarHBondContact NZ-OE2 2.87Å; I150-E154 VanDerWaalsContact O-CB 3.25Å; I150-E154 WeakPolarHBondContact O-CB 3.46Å; I150-E154 PolarHBondContact O-N 2.86Å; D151-E154 PolarHBondContact O-N 2.98Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 2.89Å; E154-T156 VanDerWaalsContact C-N 3.29Å; E154-T156 PolarHBondContact O-N 3.09Å; E154-Q157 WeakPolarHBondContact O-CG 3.33Å; E154-Q157 PolarHBondContact O-NE2 3.32Å; E154-Y181 HydrophobicContact CB-CD1 4.31Å; E154-Y181 HydrophobicContact CB-CD2 4.34Å; E154-Y181 HydrophobicContact CB-CE1 3.79Å; E154-Y181 HydrophobicContact CB-CE2 3.83Å; E154-Y181 HydrophobicContact CG-CD1 4.27Å; E154-Y181 HydrophobicContact CG-CE1 3.56Å; E154-Y181 HydrophobicContact CG-CE2 4.48Å; E154-Y181 PolarHBondContact OE1-OH 3.42Å
155	T	98.2	Very high	98.1	Very high	64 Å²	64	58.3 Å²	58.3	39%	0.393	29%	0.286	S	S	.	.	H	α-helix	trans	-71.5	-18.6	174.8	63.4	0	0	0	0	114.4	D151 L152 M153 Q157 Y158 M159	D151-T155 WeakPolarHBondContact O-CG2 3.43Å; D151-T155 PolarHBondContact O-N 3.1Å; D151-T155 VanDerWaalsContact O-N 3.13Å; L152-T155 PolarHBondContact O-N 2.99Å; L152-T155 VanDerWaalsContact O-N 3.11Å; L152-T155 PolarHBondContact O-OG1 2.97Å; M153-T155 VanDerWaalsContact C-N 3.25Å; M153-T155 PolarHBondContact O-N 3.4Å; T155-Q157 PolarHBondContact O-N 3.37Å; T155-Y158 PolarHBondContact O-N 3.31Å; T155-Y158 VanDerWaalsContact O-N 3.07Å; T155-M159 VanDerWaalsContact OG1-CE 3.3Å; T155-M159 WeakPolarHBondContact OG1-CE 3.03Å
156	T	98.1	Very high	98.1	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-61.1	-31	-176.7	63	0	0	0	0	113.2	M153 E154 Y158 M159 L164 L167 L176	M153-T156 WeakPolarHBondContact O-CB 3.47Å; M153-T156 WeakPolarHBondContact O-CG2 3.3Å; M153-T156 PolarHBondContact O-N 3.5Å; M153-T156 VanDerWaalsContact O-N 3.07Å; M153-T156 PolarHBondContact O-OG1 2.91Å; E154-T156 VanDerWaalsContact C-N 3.29Å; E154-T156 PolarHBondContact O-N 3.09Å; T156-Y158 PolarHBondContact O-N 2.84Å; T156-M159 HydrophobicContact CG2-SD 4.34Å; T156-M159 PolarHBondContact O-N 3.1Å; T156-L164 HydrophobicContact CG2-CD2 4.48Å; T156-L167 HydrophobicContact CG2-CD2 3.84Å; T156-L176 HydrophobicContact CG2-CD1 4.1Å; T156-L176 HydrophobicContact CG2-CD2 4.16Å
157	Q	97.6	Very high	98	Very high	67 Å²	67	63.6 Å²	63.6	31%	0.313	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-63.3	-11.2	177.3	78.3	-167.1	-66.2	0	0	114.5	E154 T155 P178	E154-Q157 WeakPolarHBondContact O-CG 3.33Å; E154-Q157 PolarHBondContact O-NE2 3.32Å; T155-Q157 PolarHBondContact O-N 3.37Å; Q157-P178 VanDerWaalsContact CA-O 3.25Å; Q157-P178 WeakPolarHBondContact CA-O 3.24Å; Q157-P178 WeakPolarHBondContact CB-O 3.32Å
158	Y	97.5	Very high	98	Very high	179 Å²	179	60.4 Å²	60.4	70%	0.702	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-112	-1.3	177.9	-50.7	-64.6	0	0	0	113.6	T155 T156	T155-Y158 PolarHBondContact O-N 3.31Å; T155-Y158 VanDerWaalsContact O-N 3.07Å; T156-Y158 PolarHBondContact O-N 2.84Å
159	M	98.1	Very high	97.9	Very high	43 Å²	43	59.3 Å²	59.3	21%	0.212	30%	0.3	C	S	.	.			trans	-84.5	150.4	-178.9	-70	-177.9	-171.2	0	0	112	T155 T156 E163 L164 L167	T155-M159 VanDerWaalsContact OG1-CE 3.3Å; T155-M159 WeakPolarHBondContact OG1-CE 3.03Å; T156-M159 HydrophobicContact CG2-SD 4.34Å; T156-M159 PolarHBondContact O-N 3.1Å; M159-E163 WeakPolarHBondContact CA-OE2 3.48Å; M159-E163 HydrophobicContact CB-CB 3.87Å; M159-E163 HydrophobicContact CG-CB 4.09Å; M159-E163 HydrophobicContact SD-CB 4.26Å; M159-L164 HydrophobicContact CB-CD2 3.82Å; M159-L164 HydrophobicContact CB-CG 3.75Å; M159-L164 HydrophobicContact SD-CD2 4.4Å; M159-L167 HydrophobicContact CE-CD2 4.03Å; M159-L167 HydrophobicContact SD-CD2 4.05Å
160	N	97.5	Very high	97.8	Very high	91 Å²	91	63.4 Å²	63.4	49%	0.487	33%	0.325	S	S	.	.			trans	-85.3	164.8	168	80	84.6	0	0	0	111.9	G162 E163 L164	N160-G162 PolarHBondContact O-N 2.81Å; N160-G162 VanDerWaalsContact O-N 3.1Å; N160-G162 PolarHBondContact OD1-N 3.41Å; N160-E163 PolarHBondContact N-OE2 2.88Å; N160-E163 WeakPolarHBondContact ND2-CG 3.27Å; N160-E163 PolarHBondContact ND2-OE2 2.79Å; N160-E163 WeakPolarHBondContact O-CA 3.44Å; N160-E163 WeakPolarHBondContact O-CB 3.34Å; N160-E163 PolarHBondContact O-N 3.36Å; N160-L164 WeakPolarHBondContact O-CG 3.37Å; N160-L164 PolarHBondContact O-N 2.73Å
161	E	97.6	Very high	97.6	Very high	105 Å²	105	65 Å²	65	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-46.1	-43	-179.5	-172.5	-159.9	130.2	0	0	113.8	L100 W101 L164 R165	L100-E161 HydrophobicContact CB-CG 4.15Å; L100-E161 HydrophobicContact CD1-CB 4.38Å; L100-E161 HydrophobicContact CD1-CG 4.19Å; W101-E161 HydrophobicContact CE3-CG 4.03Å; W101-E161 HydrophobicContact CZ3-CG 4.36Å; E161-L164 PolarHBondContact O-N 2.9Å; E161-R165 VanDerWaalsContact O-CB 3.28Å; E161-R165 WeakPolarHBondContact O-CB 3.39Å; E161-R165 PolarHBondContact O-N 2.65Å
162	G	97.7	Very high	97.4	Very high	37 Å²	37	65.3 Å²	65.3	38%	0.381	33%	0.333	S	S	.	.	H	α-helix	trans	-70.4	-31.4	179.8	0	0	0	0	0	113.8	N160 V166	N160-G162 PolarHBondContact O-N 2.81Å; N160-G162 VanDerWaalsContact O-N 3.1Å; N160-G162 PolarHBondContact OD1-N 3.41Å; G162-V166 WeakPolarHBondContact O-CB 3.37Å; G162-V166 VanDerWaalsContact O-CG2 3.23Å; G162-V166 WeakPolarHBondContact O-CG2 3.48Å; G162-V166 PolarHBondContact O-N 2.8Å; G162-V166 VanDerWaalsContact O-N 3.17Å
163	E	98.2	Very high	97.2	Very high	101 Å²	101	64.6 Å²	64.6	47%	0.472	33%	0.334	S	S	.	.	H	α-helix	trans	-75.6	-44.5	174.2	-71.2	164.6	155.1	0	0	110.8	M159 N160 R165 V166 L167	M159-E163 WeakPolarHBondContact CA-OE2 3.48Å; M159-E163 HydrophobicContact CB-CB 3.87Å; M159-E163 HydrophobicContact CG-CB 4.09Å; M159-E163 HydrophobicContact SD-CB 4.26Å; N160-E163 PolarHBondContact N-OE2 2.88Å; N160-E163 WeakPolarHBondContact ND2-CG 3.27Å; N160-E163 PolarHBondContact ND2-OE2 2.79Å; N160-E163 WeakPolarHBondContact O-CA 3.44Å; N160-E163 WeakPolarHBondContact O-CB 3.34Å; N160-E163 PolarHBondContact O-N 3.36Å; E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 2.84Å; E163-V166 PolarHBondContact O-N 3.26Å; E163-L167 PolarHBondContact O-N 3.16Å
164	L	98.3	Very high	97.1	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-57	-44.1	174.5	-69.2	165.9	0	0	0	111.3	L100 W101 T156 M159 N160 E161 L167 A168 L176 P178	L100-L164 HydrophobicContact CD1-CD1 4.11Å; W101-L164 HydrophobicContact CH2-CB 4.25Å; W101-L164 HydrophobicContact CZ3-CB 4.18Å; T156-L164 HydrophobicContact CG2-CD2 4.48Å; M159-L164 HydrophobicContact CB-CD2 3.82Å; M159-L164 HydrophobicContact CB-CG 3.75Å; M159-L164 HydrophobicContact SD-CD2 4.4Å; N160-L164 WeakPolarHBondContact O-CG 3.37Å; N160-L164 PolarHBondContact O-N 2.73Å; E161-L164 PolarHBondContact O-N 2.9Å; L164-L167 PolarHBondContact O-N 3.41Å; L164-A168 WeakPolarHBondContact O-CB 3.4Å; L164-A168 PolarHBondContact O-N 2.84Å; L164-L176 HydrophobicContact CB-CB 4.03Å; L164-L176 HydrophobicContact CD2-CB 3.89Å; L164-P178 HydrophobicContact CD1-CG 3.98Å
165	R	97.5	Very high	97.1	Very high	106 Å²	106	62.8 Å²	62.8	40%	0.4	33%	0.326	S	S	.	.	H	α-helix	trans	-65.8	-47.7	177.4	-172	175.6	-176.1	135.3	12.9	112.3	W101 E161 E163 L167 A168 D169	W101-R165 HydrophobicContact CD2-CB 4.38Å; W101-R165 HydrophobicContact CD2-CG 4.22Å; W101-R165 HydrophobicContact CE3-CB 3.95Å; W101-R165 HydrophobicContact CE3-CG 4.29Å; W101-R165 VanDerWaalsContact CH2-CA 3.47Å; W101-R165 HydrophobicContact CH2-CB 3.83Å; W101-R165 HydrophobicContact CH2-CG 4.34Å; W101-R165 HydrophobicContact CZ2-CB 4.24Å; W101-R165 HydrophobicContact CZ2-CG 4.24Å; W101-R165 HydrophobicContact CZ3-CB 3.67Å; W101-R165 HydrophobicContact CZ3-CG 4.36Å; E161-R165 VanDerWaalsContact O-CB 3.28Å; E161-R165 WeakPolarHBondContact O-CB 3.39Å; E161-R165 PolarHBondContact O-N 2.65Å; E163-R165 VanDerWaalsContact C-N 3.3Å; E163-R165 PolarHBondContact O-N 2.84Å; R165-L167 PolarHBondContact O-N 3.38Å; R165-A168 PolarHBondContact O-N 2.86Å; R165-A168 VanDerWaalsContact O-N 3.17Å; R165-D169 WeakPolarHBondContact O-CB 3.25Å; R165-D169 VanDerWaalsContact O-CG 3.25Å; R165-D169 PolarHBondContact O-N 2.86Å
166	V	97.9	Very high	97.1	Very high	104 Å²	104	59.8 Å²	59.8	63%	0.63	31%	0.308	S	S	*	.	H	α-helix	trans	-61.8	-31	178.3	166	0	0	0	0	111.9	G162 E163 T170	G162-V166 WeakPolarHBondContact O-CB 3.37Å; G162-V166 VanDerWaalsContact O-CG2 3.23Å; G162-V166 WeakPolarHBondContact O-CG2 3.48Å; G162-V166 PolarHBondContact O-N 2.8Å; G162-V166 VanDerWaalsContact O-N 3.17Å; E163-V166 PolarHBondContact O-N 3.26Å; V166-T170 WeakPolarHBondContact O-CG2 3.34Å
167	L	97.8	Very high	97.1	Very high	25 Å²	25	60.8 Å²	60.8	13%	0.131	31%	0.312	C	S	.	.	H	α-helix	trans	-75.6	-44.2	172.2	-179.7	58.1	0	0	0	112.2	L152 M153 T156 M159 E163 L164 R165 D169 T170 Y171 L176	L152-L167 HydrophobicContact CD1-CD2 4.48Å; L152-L167 HydrophobicContact CD2-CD1 4.3Å; M153-L167 HydrophobicContact CE-CD2 4.38Å; T156-L167 HydrophobicContact CG2-CD2 3.84Å; M159-L167 HydrophobicContact CE-CD2 4.03Å; M159-L167 HydrophobicContact SD-CD2 4.05Å; E163-L167 PolarHBondContact O-N 3.16Å; L164-L167 PolarHBondContact O-N 3.41Å; R165-L167 PolarHBondContact O-N 3.38Å; L167-D169 VanDerWaalsContact C-N 3.31Å; L167-D169 PolarHBondContact O-N 3.35Å; L167-T170 WeakPolarHBondContact O-CB 3.44Å; L167-T170 PolarHBondContact O-N 3.19Å; L167-T170 PolarHBondContact O-OG1 3.43Å; L167-Y171 HydrophobicContact CD1-CE2 3.85Å; L167-Y171 HydrophobicContact CG-CE2 4.08Å; L167-Y171 WeakPolarHBondContact O-CD2 3.46Å; L167-L176 HydrophobicContact CB-CD1 4.01Å; L167-L176 HydrophobicContact CD2-CD1 3.71Å; L167-L176 HydrophobicContact CG-CD1 3.71Å
168	A	96.9	Very high	97.1	Very high	4 Å²	4	59.6 Å²	59.6	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-39.6	176.6	0	0	0	0	0	112.2	W101 L164 R165 T170 Y171 V174 L176	W101-A168 HydrophobicContact CH2-CB 4.27Å; W101-A168 HydrophobicContact CZ2-CB 3.99Å; L164-A168 WeakPolarHBondContact O-CB 3.4Å; L164-A168 PolarHBondContact O-N 2.84Å; R165-A168 PolarHBondContact O-N 2.86Å; R165-A168 VanDerWaalsContact O-N 3.17Å; A168-T170 PolarHBondContact O-N 2.94Å; A168-Y171 PolarHBondContact O-N 3.26Å; A168-V174 HydrophobicContact CB-CG2 4.38Å; A168-L176 HydrophobicContact CB-CB 4.38Å; A168-L176 HydrophobicContact CB-CD1 4.36Å; A168-L176 HydrophobicContact CB-CG 4.35Å
169	D	95.9	Very high	97.1	Very high	111 Å²	111	53.4 Å²	53.4	59%	0.594	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-4.3	174.7	-71.4	-22.9	0	0	0	113.5	R165 L167	R165-D169 WeakPolarHBondContact O-CB 3.25Å; R165-D169 VanDerWaalsContact O-CG 3.25Å; R165-D169 PolarHBondContact O-N 2.86Å; L167-D169 VanDerWaalsContact C-N 3.31Å; L167-D169 PolarHBondContact O-N 3.35Å
170	T	96.6	Very high	97.1	Very high	92 Å²	92	51.7 Å²	51.7	56%	0.564	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-8.5	172	72	0	0	0	0	114.6	V166 L167 A168	V166-T170 WeakPolarHBondContact O-CG2 3.34Å; L167-T170 WeakPolarHBondContact O-CB 3.44Å; L167-T170 PolarHBondContact O-N 3.19Å; L167-T170 PolarHBondContact O-OG1 3.43Å; A168-T170 PolarHBondContact O-N 2.94Å
171	Y	95.8	Very high	97.2	Very high	34 Å²	34	48.4 Å²	48.4	13%	0.133	26%	0.262	C	S	.	.	S	Bend	trans	-118.3	161.2	-175.8	-59.5	-59.6	0	0	0	110.7	M153 L167 A168 V174 L221 M222	M153-Y171 HydrophobicContact CE-CE2 4.19Å; L167-Y171 HydrophobicContact CD1-CE2 3.85Å; L167-Y171 HydrophobicContact CG-CE2 4.08Å; L167-Y171 WeakPolarHBondContact O-CD2 3.46Å; A168-Y171 PolarHBondContact O-N 3.26Å; Y171-V174 HydrophobicContact CD2-CG2 4.24Å; Y171-V174 HydrophobicContact CG-CG2 4.37Å; Y171-L221 HydrophobicContact CD1-CD1 3.75Å; Y171-L221 HydrophobicContact CD1-CG 3.76Å; Y171-L221 HydrophobicContact CE1-CD1 3.8Å; Y171-L221 HydrophobicContact CE1-CG 4.02Å; Y171-M222 HydrophobicContact CD1-CB 4.17Å; Y171-M222 HydrophobicContact CD2-CB 3.82Å; Y171-M222 HydrophobicContact CD2-CG 4.13Å; Y171-M222 HydrophobicContact CD2-SD 4.02Å; Y171-M222 HydrophobicContact CE2-CB 4.17Å; Y171-M222 HydrophobicContact CE2-CG 4.04Å; Y171-M222 HydrophobicContact CE2-SD 4.01Å; Y171-M222 HydrophobicContact CG-CB 3.82Å
172	D	93.8	Very high	97.2	Very high	77 Å²	77	45.2 Å²	45.2	41%	0.412	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-85.5	127.7	175.7	-170.9	5.2	0	0	0	110.9	V174 G224 W284	D172-V174 WeakPolarHBondContact O-CG1 3.44Å; D172-V174 PolarHBondContact O-N 3.07Å; D172-G224 PolarHBondContact O-N 3.02Å; D172-W284 PolarHBondContact OD2-NE1 2.85Å
173	S	93.3	Very high	97.3	Very high	52 Å²	52	43.6 Å²	43.6	36%	0.364	24%	0.235	S	C	.	.	S	Bend	trans	53.4	50	165.4	-61.8	0	0	0	0	114.4	Y225	S173-Y225 WeakPolarHBondContact O-CD1 3.14Å; S173-Y225 VanDerWaalsContact O-CE1 3.3Å; S173-Y225 WeakPolarHBondContact O-CE1 3.49Å; S173-Y225 PolarHBondContact O-N 3.02Å
174	V	96.6	Very high	97.3	Very high	16 Å²	16	38.8 Å²	38.8	10%	0.097	21%	0.212	C	C	.	.			trans	-130.3	168.7	173.7	-57.5	0	0	0	0	112.3	A168 Y171 D172 M222	A168-V174 HydrophobicContact CB-CG2 4.38Å; Y171-V174 HydrophobicContact CD2-CG2 4.24Å; Y171-V174 HydrophobicContact CG-CG2 4.37Å; D172-V174 WeakPolarHBondContact O-CG1 3.44Å; D172-V174 PolarHBondContact O-N 3.07Å; V174-M222 HydrophobicContact CB-CE 4.08Å; V174-M222 HydrophobicContact CG1-CB 4.06Å; V174-M222 HydrophobicContact CG1-CE 4.3Å; V174-M222 HydrophobicContact CG2-CB 4.37Å; V174-M222 HydrophobicContact CG2-CE 4.25Å
175	Y	97.8	Very high	97.3	Very high	10 Å²	10	39.1 Å²	39.1	4%	0.039	21%	0.214	C	C	.	.			trans	-132.1	169.9	161.9	73	-93.5	0	0	0	110.1	F97 H98 C99 F105 E107 H177 R211	F97-Y175 AromaticContact CD2-CE2 3.83Å; F97-Y175 HydrophobicContact CD2-CE2 3.83Å; F97-Y175 AromaticContact CD2-CZ 3.84Å; F97-Y175 WeakPolarHBondContact CD2-OH 3.27Å; F97-Y175 HydrophobicContact CE2-CE2 4.26Å; F97-Y175 AromaticContact CE2-CZ 3.86Å; F97-Y175 WeakPolarHBondContact CE2-OH 3.42Å; H98-Y175 WeakPolarHBondContact CA-OH 3.5Å; H98-Y175 WeakPolarHBondContact O-CE2 3.36Å; C99-Y175 HydrophobicContact CB-CD1 3.95Å; C99-Y175 HydrophobicContact CB-CD2 4.03Å; C99-Y175 HydrophobicContact CB-CE1 4.25Å; C99-Y175 HydrophobicContact CB-CE2 4.36Å; C99-Y175 HydrophobicContact CB-CG 3.82Å; F105-Y175 AromaticContact CD1-CD1 3.62Å; F105-Y175 HydrophobicContact CD1-CD1 3.62Å; F105-Y175 AromaticContact CD1-CE1 3.7Å; F105-Y175 HydrophobicContact CD1-CE1 3.7Å; F105-Y175 AromaticContact CE1-CD1 3.37Å; F105-Y175 HydrophobicContact CE1-CD1 3.37Å; F105-Y175 AromaticContact CE1-CE1 3.7Å; F105-Y175 HydrophobicContact CE1-CE1 3.7Å; F105-Y175 HydrophobicContact CE2-CD1 4.35Å; F105-Y175 HydrophobicContact CG-CD1 4.24Å; F105-Y175 AromaticContact CZ-CD1 3.74Å; F105-Y175 HydrophobicContact CZ-CD1 3.74Å; E107-Y175 HydrophobicContact CB-CE1 4.42Å; E107-Y175 PolarHBondContact OE2-OH 2.69Å; Y175-H177 HydrophobicContact CE2-CB 4.4Å; Y175-R211 PolarHBondContact OH-NH2 2.88Å
176	L	98.1	Very high	97.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.			trans	-134.8	142.6	176.9	-82	174.2	0	0	0	111.9	W101 T156 L164 L167 A168 M222 M227	W101-L176 WeakPolarHBondContact CH2-O 3.35Å; T156-L176 HydrophobicContact CG2-CD1 4.1Å; T156-L176 HydrophobicContact CG2-CD2 4.16Å; L164-L176 HydrophobicContact CB-CB 4.03Å; L164-L176 HydrophobicContact CD2-CB 3.89Å; L167-L176 HydrophobicContact CB-CD1 4.01Å; L167-L176 HydrophobicContact CD2-CD1 3.71Å; L167-L176 HydrophobicContact CG-CD1 3.71Å; A168-L176 HydrophobicContact CB-CB 4.38Å; A168-L176 HydrophobicContact CB-CD1 4.36Å; A168-L176 HydrophobicContact CB-CG 4.35Å; L176-M222 HydrophobicContact CD1-SD 4.17Å; L176-M222 HydrophobicContact CD2-CE 3.78Å; L176-M222 HydrophobicContact CD2-SD 3.68Å; L176-M222 HydrophobicContact CG-CE 4.25Å; L176-M222 HydrophobicContact CG-SD 4Å; L176-M227 HydrophobicContact CD2-CE 3.45Å; L176-M227 VanDerWaalsContact CD2-CE 3.45Å
177	H	98.4	Very high	97.4	Very high	21 Å²	21	29.2 Å²	29.2	10%	0.097	17%	0.166	C	C	.	.			trans	-139.6	152.5	180	177.8	-89.6	0	0	0	107.9	E96 F97 H98 Y175 N179 S180	E96-H177 PolarHBondContact O-CE1 3.42Å; E96-H177 PolarHBondContact O-ND1 3.11Å; F97-H177 HydrophobicContact CB-CB 4Å; F97-H177 WeakPolarHBondContact CB-ND1 3.36Å; H98-H177 AromaticContact CE1-NE2 3.88Å; Y175-H177 HydrophobicContact CE2-CB 4.4Å; H177-N179 PolarHBondContact ND1-N 3.13Å; H177-N179 VanDerWaalsContact ND1-N 3.19Å; H177-N179 PolarHBondContact O-N 2.83Å; H177-N179 VanDerWaalsContact O-N 3.11Å; H177-S180 PolarHBondContact N-OG 3.32Å; H177-S180 VanDerWaalsContact O-CB 3.25Å; H177-S180 WeakPolarHBondContact O-CB 3.14Å; H177-S180 PolarHBondContact O-N 3.29Å; H177-S180 PolarHBondContact O-OG 2.77Å; H177-S180 VanDerWaalsContact O-OG 3.14Å
178	P	98.1	Very high	97.5	Very high	42 Å²	42	28 Å²	28	27%	0.273	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.2	-177.7	-28.4	36	0	0	0	114.1	Q157 L164 S180	Q157-P178 VanDerWaalsContact CA-O 3.25Å; Q157-P178 WeakPolarHBondContact CA-O 3.24Å; Q157-P178 WeakPolarHBondContact CB-O 3.32Å; L164-P178 HydrophobicContact CD1-CG 3.98Å; P178-S180 PolarHBondContact O-N 3.33Å
179	N	98.2	Very high	97.6	Very high	50 Å²	50	27.9 Å²	27.9	27%	0.267	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.7	177.2	-63.3	-14.5	0	0	0	114.6	E96 F97 H177 Y181 S182 C183	E96-N179 WeakPolarHBondContact O-CB 3.32Å; E96-N179 PolarHBondContact O-ND2 2.78Å; F97-N179 HydrophobicContact CB-CB 4.25Å; H177-N179 PolarHBondContact ND1-N 3.13Å; H177-N179 VanDerWaalsContact ND1-N 3.19Å; H177-N179 PolarHBondContact O-N 2.83Å; H177-N179 VanDerWaalsContact O-N 3.11Å; N179-Y181 VanDerWaalsContact C-N 3.34Å; N179-Y181 PolarHBondContact O-N 3.4Å; N179-S182 PolarHBondContact O-N 2.88Å; N179-S182 PolarHBondContact O-OG 2.76Å; N179-C183 WeakPolarHBondContact O-CB 3.16Å; N179-C183 PolarHBondContact O-N 2.98Å; N179-C183 PolarHBondContact O-SG 3.23Å
180	S	97.9	Very high	97.7	Very high	6 Å²	6	22.6 Å²	22.6	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-59.3	-42.8	-178	-70.1	0	0	0	0	112.3	H177 P178 A184	H177-S180 PolarHBondContact N-OG 3.32Å; H177-S180 VanDerWaalsContact O-CB 3.25Å; H177-S180 WeakPolarHBondContact O-CB 3.14Å; H177-S180 PolarHBondContact O-N 3.29Å; H177-S180 PolarHBondContact O-OG 2.77Å; H177-S180 VanDerWaalsContact O-OG 3.14Å; P178-S180 PolarHBondContact O-N 3.33Å; S180-A184 VanDerWaalsContact O-CB 3.27Å; S180-A184 WeakPolarHBondContact O-CB 3.39Å; S180-A184 PolarHBondContact O-N 3.43Å
181	Y	98.6	Very high	97.8	Very high	22 Å²	22	18.2 Å²	18.2	9%	0.086	10%	0.104	C	C	.	.	H	α-helix	trans	-65.4	-47.3	178.4	174.1	-109.9	0	0	0	112.8	I150 M153 E154 N179 C183 A184 C185 F228	I150-Y181 HydrophobicContact CG2-CE2 4.25Å; M153-Y181 HydrophobicContact CB-CD2 4.05Å; E154-Y181 HydrophobicContact CB-CD1 4.31Å; E154-Y181 HydrophobicContact CB-CD2 4.34Å; E154-Y181 HydrophobicContact CB-CE1 3.79Å; E154-Y181 HydrophobicContact CB-CE2 3.83Å; E154-Y181 HydrophobicContact CG-CD1 4.27Å; E154-Y181 HydrophobicContact CG-CE1 3.56Å; E154-Y181 HydrophobicContact CG-CE2 4.48Å; E154-Y181 PolarHBondContact OE1-OH 3.42Å; N179-Y181 VanDerWaalsContact C-N 3.34Å; N179-Y181 PolarHBondContact O-N 3.4Å; Y181-C183 VanDerWaalsContact C-N 3.35Å; Y181-C183 PolarHBondContact O-N 3.17Å; Y181-A184 PolarHBondContact O-N 3.48Å; Y181-C185 WeakPolarHBondContact O-CB 3.21Å; Y181-C185 PolarHBondContact O-N 3.22Å; Y181-C185 PolarHBondContact O-SG 2.97Å; Y181-F228 AromaticContact CD2-CE2 3.89Å; Y181-F228 HydrophobicContact CD2-CE2 3.89Å; Y181-F228 AromaticContact CD2-CZ 3.97Å; Y181-F228 HydrophobicContact CD2-CZ 3.97Å; Y181-F228 AromaticContact CE2-CE2 4Å; Y181-F228 HydrophobicContact CE2-CE2 4Å; Y181-F228 AromaticContact CE2-CZ 3.93Å; Y181-F228 HydrophobicContact CE2-CZ 3.93Å
182	S	98.3	Very high	98	Very high	39 Å²	39	16.6 Å²	16.6	27%	0.273	10%	0.097	S	C	.	.	H	α-helix	trans	-63.6	-40.8	178.6	50	0	0	0	0	111.7	F135 N179 C185 L186	F135-S182 WeakPolarHBondContact CE1-O 3.43Å; N179-S182 PolarHBondContact O-N 2.88Å; N179-S182 PolarHBondContact O-OG 2.76Å; S182-C185 PolarHBondContact O-N 3.16Å; S182-L186 WeakPolarHBondContact O-CB 3.41Å; S182-L186 PolarHBondContact O-N 3.24Å
183	C	98.6	Very high	98.2	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.02	9%	0.087	C	C	.	.	H	α-helix	trans	-66.2	-42.3	175.6	-61.5	0	0	0	0	112	Q93 L94 F97 N179 Y181 C185 L186 A187	Q93-C183 PolarHBondContact O-SG 3.14Å; L94-C183 HydrophobicContact CD2-CB 4.3Å; F97-C183 HydrophobicContact CD1-CB 3.62Å; F97-C183 VanDerWaalsContact CD1-SG 3.5Å; F97-C183 HydrophobicContact CE1-CB 3.71Å; F97-C183 HydrophobicContact CG-CB 4.48Å; N179-C183 WeakPolarHBondContact O-CB 3.16Å; N179-C183 PolarHBondContact O-N 2.98Å; N179-C183 PolarHBondContact O-SG 3.23Å; Y181-C183 VanDerWaalsContact C-N 3.35Å; Y181-C183 PolarHBondContact O-N 3.17Å; C183-C185 PolarHBondContact O-N 3.05Å; C183-L186 PolarHBondContact O-N 3.38Å; C183-A187 VanDerWaalsContact O-CB 3.29Å; C183-A187 WeakPolarHBondContact O-CB 3.46Å; C183-A187 PolarHBondContact O-N 3.41Å
184	A	98.7	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.8	-37.2	176.3	0	0	0	0	0	112.7	S180 Y181 S188 P212 M227 F228 H230	S180-A184 VanDerWaalsContact O-CB 3.27Å; S180-A184 WeakPolarHBondContact O-CB 3.39Å; S180-A184 PolarHBondContact O-N 3.43Å; Y181-A184 PolarHBondContact O-N 3.48Å; A184-S188 PolarHBondContact O-N 3.03Å; A184-S188 PolarHBondContact O-OG 2.68Å; A184-P212 HydrophobicContact CB-CG 3.86Å; A184-M227 HydrophobicContact CB-CB 3.9Å; A184-M227 HydrophobicContact CB-CG 4.06Å; A184-M227 HydrophobicContact CB-SD 3.72Å; A184-F228 HydrophobicContact CB-CD2 3.61Å; A184-F228 HydrophobicContact CB-CE2 4.03Å; A184-H230 PolarHBondContact O-CE1 3.49Å
185	C	98.8	Very high	98.5	Very high	7 Å²	7	12.2 Å²	12.2	5%	0.047	7%	0.065	C	C	.	.	H	α-helix	trans	-65	-40.9	171.6	-70.9	0	0	0	0	111.9	F135 A136 Y181 S182 C183 G189	F135-C185 HydrophobicContact CB-CB 4.4Å; F135-C185 HydrophobicContact CD1-CB 4.08Å; A136-C185 PolarHBondContact N-O 3.1Å; Y181-C185 WeakPolarHBondContact O-CB 3.21Å; Y181-C185 PolarHBondContact O-N 3.22Å; Y181-C185 PolarHBondContact O-SG 2.97Å; S182-C185 PolarHBondContact O-N 3.16Å; C183-C185 PolarHBondContact O-N 3.05Å; C185-G189 PolarHBondContact O-N 2.77Å
186	L	98.8	Very high	98.6	Very high	2 Å²	2	13 Å²	13	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-69.2	-37.8	177.7	-169.4	62.2	0	0	0	112.2	D91 Q93 L94 A133 R134 F135 S182 C183 S190	D91-L186 HydrophobicContact CB-CD2 4.39Å; Q93-L186 HydrophobicContact CB-CD2 3.53Å; Q93-L186 HydrophobicContact CG-CD2 4.41Å; L94-L186 HydrophobicContact CD2-CB 3.8Å; L94-L186 HydrophobicContact CD2-CD2 3.74Å; L94-L186 HydrophobicContact CD2-CG 3.84Å; L94-L186 HydrophobicContact CG-CD2 4.18Å; A133-L186 HydrophobicContact CB-CD1 3.51Å; A133-L186 HydrophobicContact CB-CG 3.95Å; R134-L186 VanDerWaalsContact C-CD1 3.5Å; F135-L186 HydrophobicContact CD1-CB 3.87Å; F135-L186 HydrophobicContact CD1-CD1 4.19Å; F135-L186 HydrophobicContact CD2-CD1 4.41Å; F135-L186 HydrophobicContact CE1-CB 3.79Å; F135-L186 HydrophobicContact CE1-CD1 4.07Å; F135-L186 HydrophobicContact CE1-CD2 4.36Å; F135-L186 HydrophobicContact CE1-CG 4.3Å; F135-L186 HydrophobicContact CE2-CD1 4.28Å; F135-L186 HydrophobicContact CG-CD1 4.36Å; F135-L186 HydrophobicContact CZ-CD1 4.11Å; F135-L186 HydrophobicContact CZ-CD2 4.44Å; S182-L186 WeakPolarHBondContact O-CB 3.41Å; S182-L186 PolarHBondContact O-N 3.24Å; C183-L186 PolarHBondContact O-N 3.38Å; L186-S190 WeakPolarHBondContact O-CB 3.44Å; L186-S190 PolarHBondContact O-N 3.13Å; L186-S190 PolarHBondContact O-OG 2.97Å
187	A	98.8	Very high	98.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.7	-50.6	173.7	0	0	0	0	0	111.4	L94 C183 G189 S190 V191 I210	L94-A187 HydrophobicContact CD2-CB 4.47Å; C183-A187 VanDerWaalsContact O-CB 3.29Å; C183-A187 WeakPolarHBondContact O-CB 3.46Å; C183-A187 PolarHBondContact O-N 3.41Å; A187-G189 PolarHBondContact O-N 2.73Å; A187-S190 WeakPolarHBondContact O-CB 3.33Å; A187-S190 PolarHBondContact O-N 3.05Å; A187-V191 PolarHBondContact O-N 3.31Å; A187-I210 HydrophobicContact CB-CB 3.98Å; A187-I210 HydrophobicContact CB-CD1 4.21Å; A187-I210 HydrophobicContact CB-CG2 4.37Å
188	S	98.9	Very high	98.5	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.007	7%	0.066	C	C	.	.	H	α-helix	trans	-54.6	-54.3	172.6	-77.9	0	0	0	0	111.7	L141 A184 S190 V191 L192 H230	L141-S188 WeakPolarHBondContact CD2-OG 3.24Å; A184-S188 PolarHBondContact O-N 3.03Å; A184-S188 PolarHBondContact O-OG 2.68Å; S188-S190 PolarHBondContact O-N 2.76Å; S188-V191 PolarHBondContact O-N 3.36Å; S188-V191 VanDerWaalsContact O-N 3.16Å; S188-L192 WeakPolarHBondContact O-CG 3.22Å; S188-L192 PolarHBondContact O-N 3.42Å; S188-H230 WeakPolarHBondContact CA-ND1 3.33Å; S188-H230 PolarHBondContact N-ND1 3.22Å; S188-H230 PolarHBondContact OG-CE1 2.98Å; S188-H230 PolarHBondContact OG-ND1 3.45Å
189	G	98.8	Very high	98.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-68.2	-22.3	-175.6	0	0	0	0	0	114	R134 C185 A187 L192 R193	R134-G189 WeakPolarHBondContact CG-O 3.47Å; R134-G189 CarbonylContact O-C 3.52Å; R134-G189 WeakPolarHBondContact O-CA 3.41Å; C185-G189 PolarHBondContact O-N 2.77Å; A187-G189 PolarHBondContact O-N 2.73Å; G189-L192 PolarHBondContact O-N 2.75Å; G189-R193 PolarHBondContact O-N 3.19Å
190	S	98.9	Very high	98.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.9	-48.6	169.1	-64.3	0	0	0	0	112	V89 A133 L186 A187 S188 L192 R193 L194	V89-S190 WeakPolarHBondContact CG1-OG 3.49Å; A133-S190 VanDerWaalsContact CB-OG 3.27Å; A133-S190 WeakPolarHBondContact CB-OG 3.48Å; L186-S190 WeakPolarHBondContact O-CB 3.44Å; L186-S190 PolarHBondContact O-N 3.13Å; L186-S190 PolarHBondContact O-OG 2.97Å; A187-S190 WeakPolarHBondContact O-CB 3.33Å; A187-S190 PolarHBondContact O-N 3.05Å; S188-S190 PolarHBondContact O-N 2.76Å; S190-L192 VanDerWaalsContact C-N 3.33Å; S190-L192 PolarHBondContact O-N 3.46Å; S190-R193 PolarHBondContact O-N 3.1Å; S190-L194 PolarHBondContact O-N 2.76Å
191	V	98.9	Very high	97.9	Very high	1 Å²	1	14 Å²	14	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-63.8	-41.7	174.7	-171.4	0	0	0	0	110.2	A187 S188 R193 L194 V195 A208 I210 H230 A234 I379	A187-V191 PolarHBondContact O-N 3.31Å; S188-V191 PolarHBondContact O-N 3.36Å; S188-V191 VanDerWaalsContact O-N 3.16Å; V191-R193 VanDerWaalsContact C-N 3.29Å; V191-R193 PolarHBondContact O-N 3.41Å; V191-L194 PolarHBondContact O-N 3.16Å; V191-L194 VanDerWaalsContact O-N 3.14Å; V191-V195 WeakPolarHBondContact O-CG2 3.45Å; V191-V195 PolarHBondContact O-N 2.84Å; V191-A208 HydrophobicContact CG2-CB 4Å; V191-I210 HydrophobicContact CG2-CD1 3.79Å; V191-H230 HydrophobicContact CG2-CB 4.06Å; V191-A234 HydrophobicContact CB-CB 4.47Å; V191-A234 HydrophobicContact CG1-CB 3.6Å; V191-I379 HydrophobicContact CG1-CG2 4.4Å
192	L	98.9	Very high	97.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-32.6	177	-60.1	-167.4	0	0	0	113.2	R134 E140 S188 G189 S190 L194 V195 D196 V233 A234 Y237	R134-L192 VanDerWaalsContact NH2-CB 3.34Å; E140-L192 HydrophobicContact CB-CD1 3.91Å; E140-L192 HydrophobicContact CG-CD1 4.17Å; E140-L192 WeakPolarHBondContact OE2-CD1 3.46Å; S188-L192 WeakPolarHBondContact O-CG 3.22Å; S188-L192 PolarHBondContact O-N 3.42Å; G189-L192 PolarHBondContact O-N 2.75Å; S190-L192 VanDerWaalsContact C-N 3.33Å; S190-L192 PolarHBondContact O-N 3.46Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L192-V195 PolarHBondContact O-N 3.13Å; L192-D196 PolarHBondContact O-N 3.15Å; L192-V233 HydrophobicContact CD1-CG1 4.29Å; L192-V233 HydrophobicContact CD2-CG1 4.24Å; L192-A234 HydrophobicContact CD2-CB 4.02Å; L192-Y237 HydrophobicContact CB-CD1 4.19Å; L192-Y237 HydrophobicContact CB-CE1 4.02Å; L192-Y237 HydrophobicContact CD1-CD1 4.27Å; L192-Y237 HydrophobicContact CD1-CD2 4.07Å; L192-Y237 HydrophobicContact CD1-CE1 4.32Å; L192-Y237 HydrophobicContact CD1-CE2 4.15Å; L192-Y237 HydrophobicContact CD1-CG 4.08Å; L192-Y237 HydrophobicContact CD2-CD1 3.67Å; L192-Y237 HydrophobicContact CD2-CD2 4.49Å; L192-Y237 HydrophobicContact CD2-CE1 4.34Å; L192-Y237 HydrophobicContact CD2-CG 3.71Å; L192-Y237 HydrophobicContact CG-CD1 4.25Å; L192-Y237 HydrophobicContact CG-CE1 4.45Å; L192-Y237 HydrophobicContact CG-CG 4.39Å
193	R	98.6	Very high	97.5	Very high	53 Å²	53	15.9 Å²	15.9	20%	0.2	10%	0.098	C	C	.	.	H	α-helix	trans	-66	-37	174.6	178.1	59.7	-166.4	111.8	-13	112.2	F131 G189 S190 V191 A197 E202	F131-R193 HydrophobicContact CB-CG 4.09Å; F131-R193 VanDerWaalsContact CE1-NH2 3.28Å; F131-R193 HydrophobicContact CG-CG 4.46Å; G189-R193 PolarHBondContact O-N 3.19Å; S190-R193 PolarHBondContact O-N 3.1Å; V191-R193 VanDerWaalsContact C-N 3.29Å; V191-R193 PolarHBondContact O-N 3.41Å; R193-A197 WeakPolarHBondContact O-CB 3.12Å; R193-A197 PolarHBondContact O-N 3.09Å; R193-E202 IonicContact CZ-OE1 3.82Å; R193-E202 IonicContact CZ-OE2 3.01Å; R193-E202 IonicContact NH1-OE1 3.23Å; R193-E202 PolarHBondContact NH1-OE1 2.59Å; R193-E202 IonicContact NH1-OE2 3.85Å; R193-E202 VanDerWaalsContact NH2-CD 3.3Å; R193-E202 IonicContact NH2-OE1 2.62Å; R193-E202 PolarHBondContact NH2-OE1 3.14Å; R193-E202 IonicContact NH2-OE2 2.67Å; R193-E202 PolarHBondContact NH2-OE2 2.81Å
194	L	98.8	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-72.1	-36.7	173.5	-67.2	179.2	0	0	0	112.2	V89 F131 S190 V191 L192 D196 A197 V198 I203 M207 A208 I379	V89-L194 HydrophobicContact CG2-CD1 4.28Å; V89-L194 HydrophobicContact CG2-CD2 3.99Å; V89-L194 HydrophobicContact CG2-CG 3.88Å; F131-L194 HydrophobicContact CD2-CD2 4.06Å; S190-L194 PolarHBondContact O-N 2.76Å; V191-L194 PolarHBondContact O-N 3.16Å; V191-L194 VanDerWaalsContact O-N 3.14Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L194-D196 VanDerWaalsContact C-N 3.3Å; L194-D196 PolarHBondContact O-N 3.36Å; L194-A197 PolarHBondContact O-N 3.25Å; L194-A197 VanDerWaalsContact O-N 3.17Å; L194-V198 WeakPolarHBondContact O-CB 3.46Å; L194-V198 WeakPolarHBondContact O-CG2 3.38Å; L194-V198 PolarHBondContact O-N 3.49Å; L194-I203 HydrophobicContact CD2-CD1 4.01Å; L194-M207 VanDerWaalsContact CD1-C 3.42Å; L194-A208 HydrophobicContact CD1-CB 3.9Å; L194-I379 HydrophobicContact CB-CD1 4.02Å; L194-I379 HydrophobicContact CB-CG1 4.37Å; L194-I379 HydrophobicContact CB-CG2 4.03Å; L194-I379 HydrophobicContact CD1-CG2 3.97Å
195	V	98.8	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-45.1	171.7	171.9	0	0	0	0	110.5	V191 L192 L199 A234 Y237 A238 L338 L340 I379	V191-V195 WeakPolarHBondContact O-CG2 3.45Å; V191-V195 PolarHBondContact O-N 2.84Å; L192-V195 PolarHBondContact O-N 3.13Å; V195-L199 HydrophobicContact CG1-CD1 3.8Å; V195-L199 HydrophobicContact CG1-CG 4.48Å; V195-L199 WeakPolarHBondContact O-CB 3.35Å; V195-L199 WeakPolarHBondContact O-CG 3.39Å; V195-L199 PolarHBondContact O-N 3.4Å; V195-A234 HydrophobicContact CG2-CB 3.93Å; V195-Y237 HydrophobicContact CG1-CD1 4.14Å; V195-A238 HydrophobicContact CG1-CB 3.83Å; V195-L338 HydrophobicContact CG2-CD2 4.46Å; V195-L340 HydrophobicContact CG2-CD2 4.46Å; V195-I379 HydrophobicContact CB-CD1 4.33Å; V195-I379 HydrophobicContact CG2-CD1 3.77Å
196	D	98.4	Very high	97.3	Very high	26 Å²	26	17.1 Å²	17.1	14%	0.139	10%	0.101	C	C	.	.	H	α-helix	trans	-60.4	-43.5	173.6	-78.5	-21.5	0	0	0	112.5	L192 L194 G200 K241 H242	L192-D196 PolarHBondContact O-N 3.15Å; L194-D196 VanDerWaalsContact C-N 3.3Å; L194-D196 PolarHBondContact O-N 3.36Å; D196-G200 VanDerWaalsContact O-CA 3.27Å; D196-G200 WeakPolarHBondContact O-CA 3.33Å; D196-G200 PolarHBondContact O-N 3.01Å; D196-K241 VanDerWaalsContact OD1-CE 3.26Å; D196-K241 WeakPolarHBondContact OD1-CE 3.44Å; D196-K241 IonicContact OD1-NZ 2.67Å; D196-K241 PolarHBondContact OD1-NZ 2.67Å; D196-K241 IonicContact OD2-NZ 3.67Å; D196-K241 PolarHBondContact OD2-NZ 2.93Å; D196-H242 IonicContact OD1-CD2 3.88Å; D196-H242 IonicContact OD1-CE1 3.66Å; D196-H242 PolarHBondContact OD1-CE1 2.79Å; D196-H242 IonicContact OD1-NE2 3.29Å; D196-H242 PolarHBondContact OD1-NE2 2.88Å
197	A	97.8	Very high	97.3	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.5	-42.6	-178.2	0	0	0	0	0	113	F131 R193 L194 A201 E202 I203	F131-A197 HydrophobicContact CE1-CB 4.35Å; F131-A197 HydrophobicContact CE2-CB 4.28Å; F131-A197 HydrophobicContact CZ-CB 3.96Å; R193-A197 WeakPolarHBondContact O-CB 3.12Å; R193-A197 PolarHBondContact O-N 3.09Å; L194-A197 PolarHBondContact O-N 3.25Å; L194-A197 VanDerWaalsContact O-N 3.17Å; A197-A201 PolarHBondContact O-N 3.43Å; A197-E202 WeakPolarHBondContact CA-OE1 3.5Å; A197-E202 HydrophobicContact CB-CB 4.09Å; A197-E202 PolarHBondContact O-N 2.86Å; A197-I203 HydrophobicContact CB-CD1 3.46Å; A197-I203 VanDerWaalsContact CB-CD1 3.46Å; A197-I203 HydrophobicContact CB-CG1 3.66Å; A197-I203 PolarHBondContact O-N 2.83Å
198	V	97.3	Very high	97.3	Very high	2 Å²	2	17 Å²	17	1%	0.012	10%	0.1	C	C	.	.	H	α-helix	trans	-73.3	-40.8	-179.2	170.8	0	0	0	0	111.9	L194 I203 L338 K377 I379	L194-V198 WeakPolarHBondContact O-CB 3.46Å; L194-V198 WeakPolarHBondContact O-CG2 3.38Å; L194-V198 PolarHBondContact O-N 3.49Å; V198-I203 HydrophobicContact CG2-CD1 3.89Å; V198-I203 HydrophobicContact CG2-CG1 3.77Å; V198-L338 HydrophobicContact CG1-CD1 4.12Å; V198-K377 HydrophobicContact CG1-CB 3.58Å; V198-K377 HydrophobicContact CG1-CD 3.93Å; V198-K377 HydrophobicContact CG1-CG 3.63Å; V198-I379 HydrophobicContact CB-CD1 4.19Å; V198-I379 HydrophobicContact CB-CG1 4.44Å; V198-I379 HydrophobicContact CG2-CD1 4.01Å; V198-I379 HydrophobicContact CG2-CG1 3.84Å
199	L	96.4	Very high	97.3	Very high	35 Å²	35	17 Å²	17	18%	0.183	10%	0.1	C	C	.	.	H	α-helix	trans	-83.8	-26.1	179.2	-61.5	-179.6	0	0	0	112.8	V195 A201 A238 H242 I244 L338 K377	V195-L199 HydrophobicContact CG1-CD1 3.8Å; V195-L199 HydrophobicContact CG1-CG 4.48Å; V195-L199 WeakPolarHBondContact O-CB 3.35Å; V195-L199 WeakPolarHBondContact O-CG 3.39Å; V195-L199 PolarHBondContact O-N 3.4Å; L199-A201 VanDerWaalsContact C-N 3.26Å; L199-A238 HydrophobicContact CD1-CB 3.77Å; L199-H242 HydrophobicContact CB-CB 4.14Å; L199-H242 HydrophobicContact CD1-CB 3.51Å; L199-H242 HydrophobicContact CG-CB 4.45Å; L199-I244 HydrophobicContact CD1-CD1 4.13Å; L199-I244 HydrophobicContact CD1-CG2 4.35Å; L199-I244 HydrophobicContact CD2-CG2 4.23Å; L199-L338 HydrophobicContact CD1-CD2 4.35Å; L199-L338 HydrophobicContact CD2-CD1 4.41Å; L199-K377 HydrophobicContact CD2-CD 4.22Å
200	G	94.4	Very high	97.3	Very high	49 Å²	49	17 Å²	17	51%	0.505	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-1.5	170.5	0	0	0	0	0	114.8	D196 E202	D196-G200 VanDerWaalsContact O-CA 3.27Å; D196-G200 WeakPolarHBondContact O-CA 3.33Å; D196-G200 PolarHBondContact O-N 3.01Å; G200-E202 VanDerWaalsContact C-N 3.34Å; G200-E202 PolarHBondContact O-N 2.68Å
201	A	90.9	Very high	97.2	Very high	55 Å²	55	17 Å²	17	46%	0.455	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	33.9	-178.7	0	0	0	0	0	114.9	L83 A197 L199	L83-A201 HydrophobicContact CD1-CB 3.75Å; L83-A201 HydrophobicContact CD2-CB 4.14Å; L83-A201 WeakPolarHBondContact CD2-O 3.35Å; A197-A201 PolarHBondContact O-N 3.43Å; L199-A201 VanDerWaalsContact C-N 3.26Å
202	E	93.9	Very high	97.2	Very high	99 Å²	99	17.1 Å²	17.1	46%	0.463	10%	0.101	S	C	.	.	S	Bend	trans	-77.8	-31.8	167.6	-60.8	-180	-107.2	0	0	112	R193 A197 G200	R193-E202 IonicContact CZ-OE1 3.82Å; R193-E202 IonicContact CZ-OE2 3.01Å; R193-E202 IonicContact NH1-OE1 3.23Å; R193-E202 PolarHBondContact NH1-OE1 2.59Å; R193-E202 IonicContact NH1-OE2 3.85Å; R193-E202 VanDerWaalsContact NH2-CD 3.3Å; R193-E202 IonicContact NH2-OE1 2.62Å; R193-E202 PolarHBondContact NH2-OE1 3.14Å; R193-E202 IonicContact NH2-OE2 2.67Å; R193-E202 PolarHBondContact NH2-OE2 2.81Å; A197-E202 WeakPolarHBondContact CA-OE1 3.5Å; A197-E202 HydrophobicContact CB-CB 4.09Å; A197-E202 PolarHBondContact O-N 2.86Å; G200-E202 VanDerWaalsContact C-N 3.34Å; G200-E202 PolarHBondContact O-N 2.68Å
203	I	95.2	Very high	97.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.102	C	C	.	.			trans	-145.1	167.8	-176.8	59.5	-177.1	0	0	0	110.5	V129 F131 L194 A197 V198 N205	V129-I203 HydrophobicContact CB-CG2 4.13Å; V129-I203 HydrophobicContact CG1-CG2 4.34Å; V129-I203 HydrophobicContact CG2-CG2 4.14Å; F131-I203 HydrophobicContact CE2-CD1 3.84Å; F131-I203 HydrophobicContact CE2-CG2 3.79Å; F131-I203 HydrophobicContact CZ-CD1 4.39Å; F131-I203 HydrophobicContact CZ-CG2 3.82Å; L194-I203 HydrophobicContact CD2-CD1 4.01Å; A197-I203 HydrophobicContact CB-CD1 3.46Å; A197-I203 VanDerWaalsContact CB-CD1 3.46Å; A197-I203 HydrophobicContact CB-CG1 3.66Å; A197-I203 PolarHBondContact O-N 2.83Å; V198-I203 HydrophobicContact CG2-CD1 3.89Å; V198-I203 HydrophobicContact CG2-CG1 3.77Å; I203-N205 WeakPolarHBondContact CD1-O 3.48Å
204	R	94.1	Very high	97.2	Very high	35 Å²	35	14.7 Å²	14.7	13%	0.132	9%	0.092	C	C	.	.	S	Bend	trans	-80.5	-52.2	174.6	-174.8	-174.7	-60.1	-169.5	-2.9	112.9	L83 G85 G800	L83-R204 HydrophobicContact CB-CB 4.41Å; L83-R204 WeakPolarHBondContact O-CB 3.49Å; L83-R204 VanDerWaalsContact O-CZ 3.28Å; L83-R204 PolarHBondContact O-NE 3.23Å; L83-R204 PolarHBondContact O-NH2 3.24Å; G85-R204 PolarHBondContact O-N 2.93Å; R204-G800 PolarHBondContact NH1-O 3.38Å
205	N	98.2	Very high	97.2	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	174	-168.9	58	12.7	0	0	0	109.2	T86 G87 I203 L378 L402	T86-N205 CarbonylContact C-O 3.59Å; T86-N205 WeakPolarHBondContact CA-O 2.92Å; T86-N205 WeakPolarHBondContact CA-OD1 3.09Å; T86-N205 WeakPolarHBondContact CB-OD1 3.48Å; T86-N205 WeakPolarHBondContact CG2-OD1 3.39Å; T86-N205 PolarHBondContact OG1-OD1 2.81Å; G87-N205 PolarHBondContact N-O 3.06Å; I203-N205 WeakPolarHBondContact CD1-O 3.48Å; N205-L378 CarbonylContact C-O 3.6Å; N205-L378 WeakPolarHBondContact CA-O 3.42Å; N205-L378 HydrophobicContact CB-CB 4.3Å; N205-L378 VanDerWaalsContact CB-O 3.22Å; N205-L378 WeakPolarHBondContact CB-O 3.48Å; N205-L402 HydrophobicContact CB-CD2 4.17Å; N205-L402 PolarHBondContact ND2-O 3.27Å
206	G	98.3	Very high	97.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	174.4	176.1	0	0	0	0	0	115.5	G87 L378 I379 L380	G87-G206 CarbonylContact O-C 3.48Å; G87-G206 WeakPolarHBondContact O-CA 3.27Å; G206-L378 PolarHBondContact N-O 3.14Å; G206-I379 WeakPolarHBondContact O-CA 3.33Å; G206-L380 PolarHBondContact O-N 2.83Å
207	M	98.8	Very high	97.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.5	176.6	-168.3	163.9	-170.3	0	0	111.3	G87 L88 V89 L194 I209 F345 L380 V395 L399 L402	G87-M207 PolarHBondContact O-N 3.02Å; L88-M207 WeakPolarHBondContact CA-O 3.46Å; L88-M207 HydrophobicContact CD1-CB 4.34Å; V89-M207 PolarHBondContact N-O 3.46Å; L194-M207 VanDerWaalsContact CD1-C 3.42Å; M207-I209 HydrophobicContact CE-CD1 3.79Å; M207-I209 HydrophobicContact CG-CD1 3.77Å; M207-I209 HydrophobicContact SD-CD1 3.88Å; M207-F345 HydrophobicContact CE-CE2 3.82Å; M207-F345 HydrophobicContact CE-CZ 3.97Å; M207-L380 CarbonylContact C-O 3.31Å; M207-L380 WeakPolarHBondContact CA-O 3.4Å; M207-L380 HydrophobicContact CB-CB 4.25Å; M207-L380 HydrophobicContact CE-CB 4.28Å; M207-L380 HydrophobicContact CE-CD2 4.16Å; M207-L380 HydrophobicContact CG-CB 3.78Å; M207-L380 HydrophobicContact SD-CB 4.25Å; M207-L380 HydrophobicContact SD-CD2 4.09Å; M207-V395 HydrophobicContact CE-CB 4.32Å; M207-V395 HydrophobicContact CE-CG1 3.87Å; M207-V395 HydrophobicContact CE-CG2 3.96Å; M207-V395 HydrophobicContact SD-CG1 4.12Å; M207-L399 HydrophobicContact CB-CD1 4.22Å; M207-L402 HydrophobicContact CB-CD1 4.13Å
208	A	98.8	Very high	97.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	110.9	172.7	0	0	0	0	0	108.9	V191 L194 I210 L380 L382	V191-A208 HydrophobicContact CG2-CB 4Å; L194-A208 HydrophobicContact CD1-CB 3.9Å; A208-I210 HydrophobicContact CB-CG2 3.89Å; A208-I210 PolarHBondContact O-N 3.14Å; A208-L380 PolarHBondContact N-O 3.36Å; A208-L382 WeakPolarHBondContact O-CB 3.28Å; A208-L382 PolarHBondContact O-N 3.49Å
209	I	98.7	Very high	97.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	91.9	176.2	-55.3	-56.9	0	0	0	107.3	L88 V89 L90 L112 I115 M207 L382 V395	L88-I209 HydrophobicContact CD1-CG1 3.82Å; V89-I209 PolarHBondContact O-N 3.43Å; L90-I209 HydrophobicContact CB-CB 4.35Å; L90-I209 HydrophobicContact CD1-CB 4.04Å; L90-I209 HydrophobicContact CD1-CG2 3.76Å; L112-I209 HydrophobicContact CD1-CG2 4.43Å; L112-I209 HydrophobicContact CD2-CG2 3.86Å; I115-I209 HydrophobicContact CB-CG2 4.5Å; I115-I209 HydrophobicContact CD1-CG2 4.05Å; I115-I209 HydrophobicContact CG2-CD1 4.25Å; I115-I209 HydrophobicContact CG2-CG1 4.42Å; I115-I209 HydrophobicContact CG2-CG2 3.95Å; M207-I209 HydrophobicContact CE-CD1 3.79Å; M207-I209 HydrophobicContact CG-CD1 3.77Å; M207-I209 HydrophobicContact SD-CD1 3.88Å; I209-L382 HydrophobicContact CG2-CD2 4.15Å; I209-V395 HydrophobicContact CD1-CG1 3.69Å
210	I	98.6	Very high	97.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.131	C	C	.	.			trans	-126.1	157.7	-167.4	62.6	178.1	0	0	0	113	L94 A187 V191 A208 H230 S381 L382	L94-I210 HydrophobicContact CD1-CB 4.18Å; L94-I210 HydrophobicContact CD1-CG2 3.99Å; A187-I210 HydrophobicContact CB-CB 3.98Å; A187-I210 HydrophobicContact CB-CD1 4.21Å; A187-I210 HydrophobicContact CB-CG2 4.37Å; V191-I210 HydrophobicContact CG2-CD1 3.79Å; A208-I210 HydrophobicContact CB-CG2 3.89Å; A208-I210 PolarHBondContact O-N 3.14Å; I210-H230 HydrophobicContact CD1-CB 4.25Å; I210-S381 WeakPolarHBondContact CD1-OG 3.35Å; I210-L382 HydrophobicContact CG1-CB 4.3Å
211	R	98	Very high	97.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-152.8	150.4	159.7	56.6	-177.2	-66.6	-93.6	4.5	109.4	L94 F97 E107 G108 L112 Y175	L94-R211 HydrophobicContact CB-CG 4.26Å; L94-R211 VanDerWaalsContact O-CG 3.27Å; L94-R211 WeakPolarHBondContact O-CG 3.49Å; L94-R211 PolarHBondContact O-NH1 3.45Å; F97-R211 HydrophobicContact CE1-CB 4.43Å; F97-R211 HydrophobicContact CE1-CG 3.93Å; F97-R211 VanDerWaalsContact CE1-NH1 3.28Å; F97-R211 HydrophobicContact CZ-CB 4.21Å; F97-R211 HydrophobicContact CZ-CG 4.13Å; F97-R211 VanDerWaalsContact CZ-CZ 3.41Å; F97-R211 PolarHBondContact O-NH1 2.95Å; F97-R211 PolarHBondContact O-NH2 3.46Å; E107-R211 IonicContact OE1-CZ 3.81Å; E107-R211 IonicContact OE1-NE 3.98Å; E107-R211 PolarHBondContact OE1-NE 3.39Å; E107-R211 IonicContact OE1-NH2 3.1Å; E107-R211 IonicContact OE2-CZ 2.72Å; E107-R211 VanDerWaalsContact OE2-CZ 3.28Å; E107-R211 IonicContact OE2-NE 3.2Å; E107-R211 PolarHBondContact OE2-NE 2.84Å; E107-R211 VanDerWaalsContact OE2-NE 3.09Å; E107-R211 IonicContact OE2-NH2 2.77Å; E107-R211 PolarHBondContact OE2-NH2 3.46Å; G108-R211 PolarHBondContact O-NE 3.22Å; L112-R211 HydrophobicContact CD1-CG 3.93Å; L112-R211 HydrophobicContact CD2-CG 4.28Å; L112-R211 HydrophobicContact CG-CG 3.96Å; Y175-R211 PolarHBondContact OH-NH2 2.88Å
212	P	98.4	Very high	97.7	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.032	10%	0.102	C	C	.	.	S	Bend	cis	-64.9	164.8	1.7	29.8	-36.4	0	0	0	112.8	F97 A184 H230	F97-P212 HydrophobicContact CE2-CB 4.28Å; F97-P212 HydrophobicContact CZ-CB 3.93Å; F97-P212 HydrophobicContact CZ-CG 4.26Å; A184-P212 HydrophobicContact CB-CG 3.86Å; P212-H230 PolarHBondContact O-NE2 3.2Å; P212-H230 VanDerWaalsContact O-NE2 3.1Å
213	P	98.7	Very high	97.8	Very high	2 Å²	2	16 Å²	16	1%	0.013	8%	0.082	C	C	.	.			trans	-66	171.1	166.3	29.8	-34.7	0	0	0	111.3	C226 E383	P213-C226 VanDerWaalsContact O-CA 3.24Å; P213-C226 WeakPolarHBondContact O-CA 3.33Å; P213-C226 WeakPolarHBondContact O-CB 3.4Å; P213-E383 HydrophobicContact CB-CB 4.42Å
214	G	98.7	Very high	97.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.			trans	-129.5	-30.7	-175.7	0	0	0	0	0	117.2	H216 A217 C226 F228 N229 E383	G214-H216 VanDerWaalsContact C-N 3.26Å; G214-H216 PolarHBondContact O-N 2.93Å; G214-A217 WeakPolarHBondContact O-CB 3.32Å; G214-A217 PolarHBondContact O-N 2.99Å; G214-C226 VanDerWaalsContact C-SG 3.53Å; G214-C226 PolarHBondContact N-SG 2.53Å; G214-C226 VanDerWaalsContact N-SG 3.43Å; G214-F228 WeakPolarHBondContact CA-O 3.45Å; G214-N229 VanDerWaalsContact O-CA 3.31Å; G214-N229 WeakPolarHBondContact O-CA 3.05Å; G214-N229 PolarHBondContact O-ND2 2.97Å; G214-E383 PolarHBondContact N-OE2 2.91Å
215	H	98.7	Very high	98.1	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.3	-163.9	72.3	141.1	0	0	0	116	N229 D251 D253 G257 G259 T260 A342 E383	H215-N229 PolarHBondContact O-ND2 2.85Å; H215-D251 IonicContact CE1-OD1 3.44Å; H215-D251 IonicContact CE1-OD2 3.44Å; H215-D251 IonicContact CG-OD2 3.56Å; H215-D251 IonicContact ND1-OD1 3.5Å; H215-D251 PolarHBondContact ND1-OD1 2.63Å; H215-D251 IonicContact ND1-OD2 2.81Å; H215-D251 PolarHBondContact ND1-OD2 3.37Å; H215-D253 VanDerWaalsContact CE1-CB 3.44Å; H215-D253 WeakPolarHBondContact CE1-CB 3.29Å; H215-D253 VanDerWaalsContact CE1-CG 3.4Å; H215-D253 IonicContact CE1-OD1 3.87Å; H215-D253 IonicContact CE1-OD2 3.55Å; H215-D253 IonicContact NE2-OD1 3.88Å; H215-D253 IonicContact NE2-OD2 3.79Å; H215-G257 WeakPolarHBondContact ND1-CA 3.37Å; H215-G257 CarbonylContact O-C 3.55Å; H215-G257 WeakPolarHBondContact O-CA 3.35Å; H215-G259 PolarHBondContact O-N 2.84Å; H215-T260 PolarHBondContact O-N 3.26Å; H215-T260 VanDerWaalsContact O-N 3.1Å; H215-T260 PolarHBondContact O-OG1 3.15Å; H215-T260 VanDerWaalsContact O-OG1 3.12Å; H215-A342 HydrophobicContact CB-CB 4.19Å; H215-E383 HydrophobicContact CB-CG 4.39Å; H215-E383 IonicContact CD2-OE2 3.54Å; H215-E383 PolarHBondContact CD2-OE2 3.48Å; H215-E383 VanDerWaalsContact CD2-OE2 3.23Å; H215-E383 IonicContact CG-OE2 3.37Å; H215-E383 PolarHBondContact N-OE2 3.32Å
216	H	98.8	Very high	98.1	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.014	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-25.6	173.2	-60.5	-56.9	0	0	0	114.1	G214 Q218 D223 G224 C226 H255 H256 Q258 G259 W284	G214-H216 VanDerWaalsContact C-N 3.26Å; G214-H216 PolarHBondContact O-N 2.93Å; H216-Q218 WeakPolarHBondContact O-CG 3.48Å; H216-Q218 PolarHBondContact O-N 3.19Å; H216-D223 HydrophobicContact CB-CB 4.11Å; H216-D223 WeakPolarHBondContact CB-O 3.41Å; H216-G224 PolarHBondContact CD2-O 3.33Å; H216-C226 HydrophobicContact CB-CB 4.17Å; H216-H255 VanDerWaalsContact CE1-CB 3.45Å; H216-H255 WeakPolarHBondContact CE1-CB 3.48Å; H216-H256 PolarHBondContact CE1-O 2.87Å; H216-H256 VanDerWaalsContact CE1-O 3.24Å; H216-H256 PolarHBondContact ND1-O 3.36Å; H216-H256 VanDerWaalsContact ND1-O 3.17Å; H216-Q258 PolarHBondContact ND1-OE1 2.93Å; H216-G259 WeakPolarHBondContact O-CA 3.44Å; H216-G259 PolarHBondContact O-N 3.12Å; H216-W284 AromaticContact CD2-CH2 3.82Å; H216-W284 AromaticContact CD2-CZ3 3.99Å; H216-W284 AromaticContact CE1-CH2 3.78Å; H216-W284 AromaticContact CE1-CZ3 3.47Å; H216-W284 VanDerWaalsContact CE1-CZ3 3.47Å; H216-W284 WeakPolarHBondContact CE1-CZ3 3.43Å; H216-W284 AromaticContact CG-CH2 3.84Å; H216-W284 AromaticContact ND1-CH2 3.8Å; H216-W284 AromaticContact ND1-CZ3 3.96Å; H216-W284 AromaticContact NE2-CH2 3.73Å; H216-W284 AromaticContact NE2-CZ3 3.41Å; H216-W284 WeakPolarHBondContact NE2-CZ3 3.25Å
217	A	98.6	Very high	98.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.085	C	C	.	.			trans	-62.9	132.4	-171.1	0	0	0	0	0	111.8	G214 C226 N229 G259	G214-A217 WeakPolarHBondContact O-CB 3.32Å; G214-A217 PolarHBondContact O-N 2.99Å; A217-C226 HydrophobicContact CB-CB 3.72Å; A217-N229 HydrophobicContact CB-CB 4.31Å; A217-N229 PolarHBondContact O-ND2 3.47Å; A217-G259 VanDerWaalsContact O-CA 3.29Å; A217-G259 WeakPolarHBondContact O-CA 3.34Å
218	Q	98.1	Very high	98.1	Very high	47 Å²	47	16.5 Å²	16.5	22%	0.22	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-104	171.3	-173.6	-43.7	-173.2	22.9	0	0	111.3	H145 H216 S220 L221 D223	H145-Q218 PolarHBondContact CE1-O 3.1Å; H145-Q218 VanDerWaalsContact CE1-O 3.31Å; H145-Q218 PolarHBondContact ND1-O 2.91Å; H216-Q218 WeakPolarHBondContact O-CG 3.48Å; H216-Q218 PolarHBondContact O-N 3.19Å; Q218-S220 PolarHBondContact O-N 2.92Å; Q218-L221 HydrophobicContact CB-CB 3.99Å; Q218-L221 HydrophobicContact CG-CB 4.29Å; Q218-L221 PolarHBondContact N-O 3.27Å; Q218-L221 PolarHBondContact O-N 3.45Å; Q218-D223 PolarHBondContact NE2-OD2 3.36Å
219	H	97.9	Very high	98.1	Very high	112 Å²	112	16.5 Å²	16.5	52%	0.519	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-33.8	-178.9	178.6	-82.7	0	0	0	114.4	V144 H145 S146	V144-H219 PolarHBondContact O-CD2 2.82Å; H145-H219 CarbonylContact C-O 3.34Å; H145-H219 VanDerWaalsContact CA-O 3.24Å; H145-H219 WeakPolarHBondContact CA-O 3.44Å; S146-H219 WeakPolarHBondContact CB-CE1 3.35Å; S146-H219 PolarHBondContact N-O 3.06Å
220	S	97.3	Very high	98.1	Very high	57 Å²	57	16.5 Å²	16.5	40%	0.399	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.6	28.7	179.7	-55.8	0	0	0	0	113.6	S146 Y149 Q218	S146-S220 WeakPolarHBondContact CB-OG 3.47Å; S146-S220 PolarHBondContact OG-OG 2.91Å; Y149-S220 WeakPolarHBondContact CD2-O 3.39Å; Q218-S220 PolarHBondContact O-N 2.92Å
221	L	95.3	Very high	98.1	Very high	60 Å²	60	16.5 Å²	16.5	31%	0.314	9%	0.086	S	C	.	.	B	Isolated β-bridge	trans	-147.8	135.6	-172.5	-157	92.4	0	0	0	112	Y149 Y171 Q218 D223	Y149-L221 PolarHBondContact OH-O 2.95Å; Y171-L221 HydrophobicContact CD1-CD1 3.75Å; Y171-L221 HydrophobicContact CD1-CG 3.76Å; Y171-L221 HydrophobicContact CE1-CD1 3.8Å; Y171-L221 HydrophobicContact CE1-CG 4.02Å; Q218-L221 HydrophobicContact CB-CB 3.99Å; Q218-L221 HydrophobicContact CG-CB 4.29Å; Q218-L221 PolarHBondContact N-O 3.27Å; Q218-L221 PolarHBondContact O-N 3.45Å; L221-D223 HydrophobicContact CD2-CB 4.47Å
222	M	97.9	Very high	98.2	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.02	9%	0.086	C	C	.	.			trans	-76.7	146.4	160.2	-64	-174.5	70.8	0	0	109.6	Y149 M153 Y171 V174 L176 C226 M227	Y149-M222 HydrophobicContact CE2-CG 4.17Å; Y149-M222 WeakPolarHBondContact OH-CG 3.36Å; Y149-M222 PolarHBondContact OH-N 3.16Å; M153-M222 HydrophobicContact CE-CG 4.28Å; M153-M222 HydrophobicContact CE-SD 4.22Å; M153-M222 HydrophobicContact SD-CG 3.61Å; M153-M222 HydrophobicContact SD-SD 3.55Å; Y171-M222 HydrophobicContact CD1-CB 4.17Å; Y171-M222 HydrophobicContact CD2-CB 3.82Å; Y171-M222 HydrophobicContact CD2-CG 4.13Å; Y171-M222 HydrophobicContact CD2-SD 4.02Å; Y171-M222 HydrophobicContact CE2-CB 4.17Å; Y171-M222 HydrophobicContact CE2-CG 4.04Å; Y171-M222 HydrophobicContact CE2-SD 4.01Å; Y171-M222 HydrophobicContact CG-CB 3.82Å; V174-M222 HydrophobicContact CB-CE 4.08Å; V174-M222 HydrophobicContact CG1-CB 4.06Å; V174-M222 HydrophobicContact CG1-CE 4.3Å; V174-M222 HydrophobicContact CG2-CB 4.37Å; V174-M222 HydrophobicContact CG2-CE 4.25Å; L176-M222 HydrophobicContact CD1-SD 4.17Å; L176-M222 HydrophobicContact CD2-CE 3.78Å; L176-M222 HydrophobicContact CD2-SD 3.68Å; L176-M222 HydrophobicContact CG-CE 4.25Å; L176-M222 HydrophobicContact CG-SD 4Å; M222-C226 WeakPolarHBondContact CA-O 3.24Å; M222-M227 HydrophobicContact CE-CB 4.19Å; M222-M227 HydrophobicContact CE-CE 3.87Å; M222-M227 HydrophobicContact SD-CE 4.07Å
223	D	97.6	Very high	98.2	Very high	10 Å²	10	16.3 Å²	16.3	5%	0.053	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-162.3	138.9	-174.9	-157	-26.3	0	0	0	109.1	H216 Q218 L221 Y225 C226 Q258 W284	H216-D223 HydrophobicContact CB-CB 4.11Å; H216-D223 WeakPolarHBondContact CB-O 3.41Å; Q218-D223 PolarHBondContact NE2-OD2 3.36Å; L221-D223 HydrophobicContact CD2-CB 4.47Å; D223-Y225 PolarHBondContact O-N 2.89Å; D223-C226 PolarHBondContact N-O 2.74Å; D223-C226 WeakPolarHBondContact O-CA 3.44Å; D223-C226 WeakPolarHBondContact O-CB 3.48Å; D223-C226 PolarHBondContact O-N 3.18Å; D223-Q258 PolarHBondContact OD1-NE2 3.17Å; D223-Q258 VanDerWaalsContact OD1-NE2 3.1Å; D223-Q258 PolarHBondContact OD2-NE2 2.96Å; D223-W284 WeakPolarHBondContact OD1-CZ2 3.34Å
224	G	96.4	Very high	98.2	Very high	4 Å²	4	16.2 Å²	16.2	4%	0.041	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	57.5	170.8	0	0	0	0	0	115.6	D172 H216 C226 W284	D172-G224 PolarHBondContact O-N 3.02Å; H216-G224 PolarHBondContact CD2-O 3.33Å; G224-C226 PolarHBondContact O-N 2.9Å; G224-C226 PolarHBondContact O-SG 2.62Å; G224-W284 VanDerWaalsContact CA-CH2 3.47Å
225	Y	97.9	Very high	98.2	Very high	39 Å²	39	16.2 Å²	16.2	15%	0.153	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-5.9	-171.6	-37.6	-39.2	0	0	0	116.3	F105 P106 E107 S173 D223 Y386	F105-Y225 AromaticContact CE1-CD1 3.41Å; F105-Y225 HydrophobicContact CE1-CD1 3.41Å; F105-Y225 VanDerWaalsContact CE1-CD1 3.41Å; F105-Y225 AromaticContact CE1-CE1 3.39Å; F105-Y225 HydrophobicContact CE1-CE1 3.39Å; F105-Y225 HydrophobicContact CE1-CG 4.22Å; F105-Y225 HydrophobicContact CE2-CE1 4.38Å; F105-Y225 AromaticContact CZ-CD1 3.49Å; F105-Y225 HydrophobicContact CZ-CD1 3.49Å; F105-Y225 VanDerWaalsContact CZ-CD1 3.49Å; F105-Y225 AromaticContact CZ-CE1 3.27Å; F105-Y225 HydrophobicContact CZ-CE1 3.27Å; P106-Y225 HydrophobicContact CG-CE2 4.29Å; P106-Y225 WeakPolarHBondContact CG-OH 3.47Å; E107-Y225 HydrophobicContact CB-CD2 3.93Å; E107-Y225 HydrophobicContact CB-CE2 4.48Å; E107-Y225 HydrophobicContact CB-CG 3.99Å; E107-Y225 HydrophobicContact CG-CD2 4.17Å; E107-Y225 HydrophobicContact CG-CG 4.27Å; S173-Y225 WeakPolarHBondContact O-CD1 3.14Å; S173-Y225 VanDerWaalsContact O-CE1 3.3Å; S173-Y225 WeakPolarHBondContact O-CE1 3.49Å; S173-Y225 PolarHBondContact O-N 3.02Å; D223-Y225 PolarHBondContact O-N 2.89Å; Y225-Y386 HydrophobicContact CD2-CE1 4.11Å; Y225-Y386 AromaticContact CE2-CE1 3.87Å; Y225-Y386 HydrophobicContact CE2-CE1 3.87Å; Y225-Y386 AromaticContact CE2-CZ 3.78Å
226	C	98.7	Very high	98.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-91.5	139.9	-173	-54.1	0	0	0	0	113	P213 G214 H216 A217 M222 D223 G224	P213-C226 VanDerWaalsContact O-CA 3.24Å; P213-C226 WeakPolarHBondContact O-CA 3.33Å; P213-C226 WeakPolarHBondContact O-CB 3.4Å; G214-C226 VanDerWaalsContact C-SG 3.53Å; G214-C226 PolarHBondContact N-SG 2.53Å; G214-C226 VanDerWaalsContact N-SG 3.43Å; H216-C226 HydrophobicContact CB-CB 4.17Å; A217-C226 HydrophobicContact CB-CB 3.72Å; M222-C226 WeakPolarHBondContact CA-O 3.24Å; D223-C226 PolarHBondContact N-O 2.74Å; D223-C226 WeakPolarHBondContact O-CA 3.44Å; D223-C226 WeakPolarHBondContact O-CB 3.48Å; D223-C226 PolarHBondContact O-N 3.18Å; G224-C226 PolarHBondContact O-N 2.9Å; G224-C226 PolarHBondContact O-SG 2.62Å
227	M	98.7	Very high	98.2	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	10%	0.095	C	C	.	.	S	Bend	trans	-107.2	-45.9	174.5	-177.3	175.5	-75.8	0	0	113.4	Y149 M153 L176 A184 M222	Y149-M227 WeakPolarHBondContact CE1-O 3.26Å; Y149-M227 PolarHBondContact OH-O 2.9Å; M153-M227 HydrophobicContact CB-SD 4.07Å; M153-M227 HydrophobicContact CG-CG 4.04Å; M153-M227 HydrophobicContact CG-SD 4.19Å; M153-M227 HydrophobicContact SD-CE 3.76Å; M153-M227 HydrophobicContact SD-CG 3.97Å; M153-M227 HydrophobicContact SD-SD 4.14Å; L176-M227 HydrophobicContact CD2-CE 3.45Å; L176-M227 VanDerWaalsContact CD2-CE 3.45Å; A184-M227 HydrophobicContact CB-CB 3.9Å; A184-M227 HydrophobicContact CB-CG 4.06Å; A184-M227 HydrophobicContact CB-SD 3.72Å; M222-M227 HydrophobicContact CE-CB 4.19Å; M222-M227 HydrophobicContact CE-CE 3.87Å; M222-M227 HydrophobicContact SD-CE 4.07Å
228	F	98.9	Very high	98.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-133.1	144	177.5	-61.6	-50.7	0	0	0	109.7	L141 H145 Y149 I150 M153 Y181 A184 G214 H230	L141-F228 HydrophobicContact CD1-CD2 3.99Å; L141-F228 HydrophobicContact CD1-CE1 4.48Å; L141-F228 HydrophobicContact CD1-CE2 3.73Å; L141-F228 HydrophobicContact CD1-CG 4.5Å; L141-F228 HydrophobicContact CD1-CZ 4.01Å; L141-F228 HydrophobicContact CD2-CB 4.21Å; L141-F228 HydrophobicContact CD2-CD2 4Å; L141-F228 HydrophobicContact CD2-CG 4.04Å; H145-F228 AromaticContact CD2-CD1 3.81Å; H145-F228 WeakPolarHBondContact NE2-CA 3.41Å; Y149-F228 HydrophobicContact CD1-CE1 4.17Å; Y149-F228 AromaticContact CE1-CD1 3.93Å; Y149-F228 HydrophobicContact CE1-CD1 3.93Å; Y149-F228 AromaticContact CE1-CE1 3.73Å; Y149-F228 HydrophobicContact CE1-CE1 3.73Å; I150-F228 HydrophobicContact CG1-CE1 4.06Å; I150-F228 HydrophobicContact CG2-CZ 4.23Å; M153-F228 HydrophobicContact CB-CE1 4.38Å; M153-F228 HydrophobicContact CB-CZ 3.91Å; M153-F228 HydrophobicContact CG-CE1 4.2Å; M153-F228 HydrophobicContact CG-CZ 4.2Å; Y181-F228 AromaticContact CD2-CE2 3.89Å; Y181-F228 HydrophobicContact CD2-CE2 3.89Å; Y181-F228 AromaticContact CD2-CZ 3.97Å; Y181-F228 HydrophobicContact CD2-CZ 3.97Å; Y181-F228 AromaticContact CE2-CE2 4Å; Y181-F228 HydrophobicContact CE2-CE2 4Å; Y181-F228 AromaticContact CE2-CZ 3.93Å; Y181-F228 HydrophobicContact CE2-CZ 3.93Å; A184-F228 HydrophobicContact CB-CD2 3.61Å; A184-F228 HydrophobicContact CB-CE2 4.03Å; G214-F228 WeakPolarHBondContact CA-O 3.45Å; F228-H230 PolarHBondContact O-CE1 3.01Å; F228-H230 VanDerWaalsContact O-CE1 3.23Å; F228-H230 PolarHBondContact O-N 3.19Å; F228-H230 VanDerWaalsContact O-N 3.1Å; F228-H230 PolarHBondContact O-ND1 3.26Å; F228-H230 PolarHBondContact O-NE2 3.02Å
229	N	98.9	Very high	98.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.			trans	-86.3	89.2	-173.7	-166.6	-49.7	0	0	0	111.1	V144 H145 G214 H215 A217 V231 A232 V233 T260	V144-N229 HydrophobicContact CG1-CB 4.39Å; H145-N229 PolarHBondContact CE1-N 2.81Å; H145-N229 PolarHBondContact NE2-N 3.29Å; G214-N229 VanDerWaalsContact O-CA 3.31Å; G214-N229 WeakPolarHBondContact O-CA 3.05Å; G214-N229 PolarHBondContact O-ND2 2.97Å; H215-N229 PolarHBondContact O-ND2 2.85Å; A217-N229 HydrophobicContact CB-CB 4.31Å; A217-N229 PolarHBondContact O-ND2 3.47Å; N229-V231 PolarHBondContact O-N 3.42Å; N229-V231 WeakPolarHBondContact OD1-CG2 3.42Å; N229-A232 HydrophobicContact CB-CB 3.98Å; N229-A232 VanDerWaalsContact CG-CB 3.5Å; N229-A232 PolarHBondContact O-N 3.32Å; N229-A232 WeakPolarHBondContact OD1-CB 3.49Å; N229-A232 PolarHBondContact OD1-N 3.46Å; N229-V233 WeakPolarHBondContact O-CB 3.37Å; N229-V233 WeakPolarHBondContact O-CG2 3.33Å; N229-V233 PolarHBondContact O-N 2.96Å; N229-T260 PolarHBondContact ND2-N 3.46Å; N229-T260 PolarHBondContact ND2-OG1 2.95Å; N229-T260 PolarHBondContact OD1-OG1 3.03Å
230	H	98.8	Very high	98.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.4	-43.5	-172.7	-52.3	-43.9	0	0	0	112.9	A184 S188 V191 I210 P212 F228 A234	A184-H230 PolarHBondContact O-CE1 3.49Å; S188-H230 WeakPolarHBondContact CA-ND1 3.33Å; S188-H230 PolarHBondContact N-ND1 3.22Å; S188-H230 PolarHBondContact OG-CE1 2.98Å; S188-H230 PolarHBondContact OG-ND1 3.45Å; V191-H230 HydrophobicContact CG2-CB 4.06Å; I210-H230 HydrophobicContact CD1-CB 4.25Å; P212-H230 PolarHBondContact O-NE2 3.2Å; P212-H230 VanDerWaalsContact O-NE2 3.1Å; F228-H230 PolarHBondContact O-CE1 3.01Å; F228-H230 VanDerWaalsContact O-CE1 3.23Å; F228-H230 PolarHBondContact O-N 3.19Å; F228-H230 VanDerWaalsContact O-N 3.1Å; F228-H230 PolarHBondContact O-ND1 3.26Å; F228-H230 PolarHBondContact O-NE2 3.02Å; H230-A234 WeakPolarHBondContact O-CB 3.5Å; H230-A234 PolarHBondContact O-N 2.96Å
231	V	98.8	Very high	98.3	Very high	1 Å²	1	20 Å²	20	1%	0.006	9%	0.091	C	C	.	.	H	α-helix	trans	-71.2	-37.4	178.5	-66	0	0	0	0	113.1	N229 A234 A235 I249 T260 L340 A342	N229-V231 PolarHBondContact O-N 3.42Å; N229-V231 WeakPolarHBondContact OD1-CG2 3.42Å; V231-A234 PolarHBondContact O-N 3.2Å; V231-A235 PolarHBondContact O-N 2.92Å; V231-I249 HydrophobicContact CB-CG2 4.39Å; V231-I249 HydrophobicContact CG2-CG2 4.26Å; V231-T260 HydrophobicContact CG2-CG2 4.18Å; V231-L340 VanDerWaalsContact O-CD1 3.29Å; V231-L340 WeakPolarHBondContact O-CD1 3.4Å; V231-A342 HydrophobicContact CG1-CB 4.34Å; V231-A342 HydrophobicContact CG2-CB 4.4Å
232	A	98.9	Very high	98.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-70.6	-41.5	176.5	0	0	0	0	0	112.1	V144 N229 A234 A235 R236 T263 F264	V144-A232 HydrophobicContact CG1-CB 4.22Å; V144-A232 HydrophobicContact CG2-CB 3.87Å; N229-A232 HydrophobicContact CB-CB 3.98Å; N229-A232 VanDerWaalsContact CG-CB 3.5Å; N229-A232 PolarHBondContact O-N 3.32Å; N229-A232 WeakPolarHBondContact OD1-CB 3.49Å; N229-A232 PolarHBondContact OD1-N 3.46Å; A232-A234 VanDerWaalsContact C-N 3.32Å; A232-A234 PolarHBondContact O-N 3.11Å; A232-A235 PolarHBondContact O-N 3.41Å; A232-R236 WeakPolarHBondContact O-CG 3.39Å; A232-R236 PolarHBondContact O-N 2.91Å; A232-T263 HydrophobicContact CB-CG2 4.1Å; A232-F264 HydrophobicContact CB-CE2 3.52Å; A232-F264 HydrophobicContact CB-CZ 3.77Å
233	V	98.9	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.3	-43.2	173.7	169.1	0	0	0	0	109.8	E140 V144 L192 N229 A235 R236 Y237	E140-V233 WeakPolarHBondContact O-CG1 3.42Å; V144-V233 HydrophobicContact CB-CG2 3.85Å; V144-V233 HydrophobicContact CG2-CB 4.42Å; V144-V233 HydrophobicContact CG2-CG2 3.73Å; L192-V233 HydrophobicContact CD1-CG1 4.29Å; L192-V233 HydrophobicContact CD2-CG1 4.24Å; N229-V233 WeakPolarHBondContact O-CB 3.37Å; N229-V233 WeakPolarHBondContact O-CG2 3.33Å; N229-V233 PolarHBondContact O-N 2.96Å; V233-A235 PolarHBondContact O-N 3.19Å; V233-R236 PolarHBondContact O-N 2.79Å; V233-Y237 WeakPolarHBondContact O-CB 3.33Å; V233-Y237 PolarHBondContact O-N 3.44Å
234	A	98.9	Very high	98.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.7	-42.4	174.1	0	0	0	0	0	113.8	V191 L192 V195 H230 V231 A232 Y237 A238 L340	V191-A234 HydrophobicContact CB-CB 4.47Å; V191-A234 HydrophobicContact CG1-CB 3.6Å; L192-A234 HydrophobicContact CD2-CB 4.02Å; V195-A234 HydrophobicContact CG2-CB 3.93Å; H230-A234 WeakPolarHBondContact O-CB 3.5Å; H230-A234 PolarHBondContact O-N 2.96Å; V231-A234 PolarHBondContact O-N 3.2Å; A232-A234 VanDerWaalsContact C-N 3.32Å; A232-A234 PolarHBondContact O-N 3.11Å; A234-Y237 PolarHBondContact O-N 3.48Å; A234-A238 WeakPolarHBondContact O-CB 3.37Å; A234-A238 PolarHBondContact O-N 3.43Å; A234-L340 HydrophobicContact CB-CD1 3.78Å; A234-L340 HydrophobicContact CB-CD2 4.48Å
235	A	98.9	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-48.6	175.9	0	0	0	0	0	111.7	V231 A232 V233 Y237 A238 Q239 V247 I249 F264 V270 L340	V231-A235 PolarHBondContact O-N 2.92Å; A232-A235 PolarHBondContact O-N 3.41Å; V233-A235 PolarHBondContact O-N 3.19Å; A235-Y237 PolarHBondContact O-N 2.87Å; A235-A238 PolarHBondContact O-N 3.36Å; A235-Q239 WeakPolarHBondContact O-CG 3.4Å; A235-Q239 PolarHBondContact O-N 3.33Å; A235-Q239 VanDerWaalsContact O-N 3.11Å; A235-V247 HydrophobicContact CB-CB 4.3Å; A235-V247 HydrophobicContact CB-CG1 3.94Å; A235-V247 HydrophobicContact CB-CG2 4.33Å; A235-I249 HydrophobicContact CB-CD1 4.04Å; A235-F264 HydrophobicContact CB-CZ 3.93Å; A235-V270 HydrophobicContact CB-CG2 4.46Å; A235-L340 HydrophobicContact CB-CD1 3.98Å
236	R	98.8	Very high	98.4	Very high	54 Å²	54	40.2 Å²	40.2	20%	0.204	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-40.9	177.1	-69.8	-74.5	177.9	-141.9	2.3	112.2	L143 V144 A232 V233 Q239 Q240 T263 F264 D267	L143-R236 HydrophobicContact CB-CB 3.74Å; L143-R236 HydrophobicContact CB-CG 4.37Å; L143-R236 HydrophobicContact CD1-CB 4.16Å; V144-R236 HydrophobicContact CG2-CG 3.94Å; A232-R236 WeakPolarHBondContact O-CG 3.39Å; A232-R236 PolarHBondContact O-N 2.91Å; V233-R236 PolarHBondContact O-N 2.79Å; R236-Q239 PolarHBondContact O-N 2.79Å; R236-Q240 WeakPolarHBondContact O-CB 3.13Å; R236-Q240 PolarHBondContact O-N 3.19Å; R236-T263 PolarHBondContact NH2-O 3.19Å; R236-F264 HydrophobicContact CG-CE1 4.26Å; R236-F264 HydrophobicContact CG-CZ 4.37Å; R236-D267 IonicContact CZ-OD2 2.98Å; R236-D267 IonicContact NH1-OD2 3.27Å; R236-D267 PolarHBondContact NH1-OD2 3.28Å; R236-D267 IonicContact NH2-OD2 3.99Å; R236-D267 PolarHBondContact NH2-OD2 3.36Å
237	Y	98.9	Very high	98.4	Very high	16 Å²	16	40.2 Å²	40.2	6%	0.063	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-46	176.9	-170.5	-113.2	0	0	0	112.2	R134 E140 L143 L192 V195 V233 A234 A235 Q239 Q240 K241	R134-Y237 PolarHBondContact NH2-OH 2.64Å; E140-Y237 HydrophobicContact CG-CD2 4.19Å; E140-Y237 HydrophobicContact CG-CE2 3.8Å; E140-Y237 WeakPolarHBondContact OE1-CE2 3.47Å; E140-Y237 PolarHBondContact OE1-OH 3.02Å; L143-Y237 HydrophobicContact CD1-CD2 4.31Å; L192-Y237 HydrophobicContact CB-CD1 4.19Å; L192-Y237 HydrophobicContact CB-CE1 4.02Å; L192-Y237 HydrophobicContact CD1-CD1 4.27Å; L192-Y237 HydrophobicContact CD1-CD2 4.07Å; L192-Y237 HydrophobicContact CD1-CE1 4.32Å; L192-Y237 HydrophobicContact CD1-CE2 4.15Å; L192-Y237 HydrophobicContact CD1-CG 4.08Å; L192-Y237 HydrophobicContact CD2-CD1 3.67Å; L192-Y237 HydrophobicContact CD2-CD2 4.49Å; L192-Y237 HydrophobicContact CD2-CE1 4.34Å; L192-Y237 HydrophobicContact CD2-CG 3.71Å; L192-Y237 HydrophobicContact CG-CD1 4.25Å; L192-Y237 HydrophobicContact CG-CE1 4.45Å; L192-Y237 HydrophobicContact CG-CG 4.39Å; V195-Y237 HydrophobicContact CG1-CD1 4.14Å; V233-Y237 WeakPolarHBondContact O-CB 3.33Å; V233-Y237 PolarHBondContact O-N 3.44Å; A234-Y237 PolarHBondContact O-N 3.48Å; A235-Y237 PolarHBondContact O-N 2.87Å; Y237-Q239 VanDerWaalsContact C-N 3.32Å; Y237-Q239 PolarHBondContact O-N 3.1Å; Y237-Q240 PolarHBondContact O-N 3.47Å; Y237-K241 HydrophobicContact CD1-CD 4.3Å; Y237-K241 HydrophobicContact CE1-CD 3.52Å; Y237-K241 HydrophobicContact CE2-CD 3.93Å; Y237-K241 VanDerWaalsContact O-CB 3.3Å; Y237-K241 WeakPolarHBondContact O-CB 3.25Å; Y237-K241 PolarHBondContact O-N 2.94Å; Y237-K241 PolarHBondContact OH-NZ 3.4Å
238	A	98.8	Very high	98.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-42	176.3	0	0	0	0	0	111.9	V195 L199 A234 A235 H242 R243 I244 L338	V195-A238 HydrophobicContact CG1-CB 3.83Å; L199-A238 HydrophobicContact CD1-CB 3.77Å; A234-A238 WeakPolarHBondContact O-CB 3.37Å; A234-A238 PolarHBondContact O-N 3.43Å; A235-A238 PolarHBondContact O-N 3.36Å; A238-H242 CarbonylContact O-C 3.57Å; A238-H242 WeakPolarHBondContact O-CA 3.49Å; A238-H242 WeakPolarHBondContact O-CB 3.46Å; A238-H242 PolarHBondContact O-N 3.23Å; A238-H242 VanDerWaalsContact O-N 3.09Å; A238-R243 PolarHBondContact O-N 2.73Å; A238-R243 VanDerWaalsContact O-N 3.09Å; A238-I244 HydrophobicContact CB-CD1 3.6Å; A238-I244 HydrophobicContact CB-CG1 3.85Å; A238-L338 HydrophobicContact CB-CD2 3.91Å
239	Q	98.6	Very high	98.4	Very high	31 Å²	31	40.1 Å²	40.1	15%	0.145	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-44.9	174.6	-68.3	176.5	-18.8	0	0	112.5	A235 R236 Y237 R243 I244 V247 S269 V270	A235-Q239 WeakPolarHBondContact O-CG 3.4Å; A235-Q239 PolarHBondContact O-N 3.33Å; A235-Q239 VanDerWaalsContact O-N 3.11Å; R236-Q239 PolarHBondContact O-N 2.79Å; Y237-Q239 VanDerWaalsContact C-N 3.32Å; Y237-Q239 PolarHBondContact O-N 3.1Å; Q239-R243 WeakPolarHBondContact O-CA 3.41Å; Q239-R243 PolarHBondContact O-N 3.48Å; Q239-I244 WeakPolarHBondContact CA-O 3.25Å; Q239-V247 HydrophobicContact CG-CG2 4.38Å; Q239-S269 PolarHBondContact NE2-O 3.49Å; Q239-S269 PolarHBondContact NE2-OG 3.47Å; Q239-V270 VanDerWaalsContact NE2-CG2 3.34Å
240	Q	98	Very high	98.4	Very high	104 Å²	104	40.1 Å²	40.1	49%	0.486	16%	0.163	S	C	.	.	H	α-helix	trans	-77.7	-45.1	-173.9	-165.2	-165.9	34.5	0	0	113.1	R236 Y237 R243	R236-Q240 WeakPolarHBondContact O-CB 3.13Å; R236-Q240 PolarHBondContact O-N 3.19Å; Y237-Q240 PolarHBondContact O-N 3.47Å; Q240-R243 WeakPolarHBondContact O-CD 3.47Å; Q240-R243 PolarHBondContact O-NE 3.3Å; Q240-R243 PolarHBondContact O-NH1 3.23Å; Q240-R243 PolarHBondContact O-NH2 2.9Å
241	K	97.9	Very high	98.4	Very high	94 Å²	94	40.1 Å²	40.1	41%	0.409	16%	0.163	S	C	.	.	H	α-helix	trans	-84.9	-54.7	-176.7	-174.7	177.4	-178.3	-177.7	0	111.8	D196 Y237	D196-K241 VanDerWaalsContact OD1-CE 3.26Å; D196-K241 WeakPolarHBondContact OD1-CE 3.44Å; D196-K241 IonicContact OD1-NZ 2.67Å; D196-K241 PolarHBondContact OD1-NZ 2.67Å; D196-K241 IonicContact OD2-NZ 3.67Å; D196-K241 PolarHBondContact OD2-NZ 2.93Å; Y237-K241 HydrophobicContact CD1-CD 4.3Å; Y237-K241 HydrophobicContact CE1-CD 3.52Å; Y237-K241 HydrophobicContact CE2-CD 3.93Å; Y237-K241 VanDerWaalsContact O-CB 3.3Å; Y237-K241 WeakPolarHBondContact O-CB 3.25Å; Y237-K241 PolarHBondContact O-N 2.94Å; Y237-K241 PolarHBondContact OH-NZ 3.4Å
242	H	97.6	Very high	98.4	Very high	56 Å²	56	40 Å²	40	26%	0.259	16%	0.163	S	C	.	.	S	Bend	trans	-91.7	-4.7	-173	-65.4	-81.7	0	0	0	114.3	D196 L199 A238 I244	D196-H242 IonicContact OD1-CD2 3.88Å; D196-H242 IonicContact OD1-CE1 3.66Å; D196-H242 PolarHBondContact OD1-CE1 2.79Å; D196-H242 IonicContact OD1-NE2 3.29Å; D196-H242 PolarHBondContact OD1-NE2 2.88Å; L199-H242 HydrophobicContact CB-CB 4.14Å; L199-H242 HydrophobicContact CD1-CB 3.51Å; L199-H242 HydrophobicContact CG-CB 4.45Å; A238-H242 CarbonylContact O-C 3.57Å; A238-H242 WeakPolarHBondContact O-CA 3.49Å; A238-H242 WeakPolarHBondContact O-CB 3.46Å; A238-H242 PolarHBondContact O-N 3.23Å; A238-H242 VanDerWaalsContact O-N 3.09Å; H242-I244 PolarHBondContact O-N 2.86Å
243	R	96.9	Very high	98.4	Very high	186 Å²	186	40 Å²	40	70%	0.702	16%	0.163	S	C	*	.			trans	61.2	22.8	172.7	-50.2	-57.1	-177.6	172	-4.4	115	A238 Q239 Q240	A238-R243 PolarHBondContact O-N 2.73Å; A238-R243 VanDerWaalsContact O-N 3.09Å; Q239-R243 WeakPolarHBondContact O-CA 3.41Å; Q239-R243 PolarHBondContact O-N 3.48Å; Q240-R243 WeakPolarHBondContact O-CD 3.47Å; Q240-R243 PolarHBondContact O-NE 3.3Å; Q240-R243 PolarHBondContact O-NH1 3.23Å; Q240-R243 PolarHBondContact O-NH2 2.9Å
244	I	96.5	Very high	98.4	Very high	17 Å²	17	40 Å²	40	9%	0.087	16%	0.163	C	C	.	.			trans	-69.2	150.4	167.2	67.2	169.1	0	0	0	110.3	L199 A238 Q239 H242 V247 Q337 L338	L199-I244 HydrophobicContact CD1-CD1 4.13Å; L199-I244 HydrophobicContact CD1-CG2 4.35Å; L199-I244 HydrophobicContact CD2-CG2 4.23Å; A238-I244 HydrophobicContact CB-CD1 3.6Å; A238-I244 HydrophobicContact CB-CG1 3.85Å; Q239-I244 WeakPolarHBondContact CA-O 3.25Å; H242-I244 PolarHBondContact O-N 2.86Å; I244-V247 HydrophobicContact CD1-CG2 3.74Å; I244-V247 HydrophobicContact CG1-CG2 4.32Å; I244-Q337 HydrophobicContact CB-CB 3.98Å; I244-Q337 HydrophobicContact CD1-CB 4.49Å; I244-Q337 HydrophobicContact CG2-CB 4.11Å; I244-L338 HydrophobicContact CD1-CB 3.49Å; I244-L338 VanDerWaalsContact CD1-CB 3.49Å; I244-L338 HydrophobicContact CD1-CD2 4.03Å; I244-L338 HydrophobicContact CD1-CG 4.43Å
245	R	97	Very high	98.4	Very high	192 Å²	192	40.6 Å²	40.6	73%	0.725	17%	0.166	S	C	*	.			trans	-108.2	-19.5	-171.4	-58.8	-178.2	-176.2	173.7	1.2	114.3	S269	R245-S269 WeakPolarHBondContact O-CB 3.22Å
246	R	98.4	Very high	98.4	Very high	91 Å²	91	40.7 Å²	40.7	34%	0.343	17%	0.166	S	C	.	.			trans	-138.9	117.8	-174.7	-68.1	-171.4	-52.4	-96.3	-3.8	110.2	S269 F334 Q335 Q337	R246-S269 WeakPolarHBondContact CA-O 2.97Å; R246-F334 HydrophobicContact CB-CE1 3.9Å; R246-F334 HydrophobicContact CB-CE2 4.14Å; R246-F334 HydrophobicContact CB-CZ 3.61Å; R246-F334 WeakPolarHBondContact CD-O 3.38Å; R246-F334 HydrophobicContact CG-CE2 3.95Å; R246-F334 HydrophobicContact CG-CZ 3.93Å; R246-F334 PolarHBondContact NE-O 3.07Å; R246-Q335 VanDerWaalsContact CZ-O 3.27Å; R246-Q335 PolarHBondContact NE-O 3.15Å; R246-Q335 PolarHBondContact NH2-O 3.05Å; R246-Q337 PolarHBondContact O-N 3.03Å
247	V	98.9	Very high	98.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.7	174.6	-174.4	0	0	0	0	108.1	A235 Q239 I244 I249 S269 V270 L271 F334 L340	A235-V247 HydrophobicContact CB-CB 4.3Å; A235-V247 HydrophobicContact CB-CG1 3.94Å; A235-V247 HydrophobicContact CB-CG2 4.33Å; Q239-V247 HydrophobicContact CG-CG2 4.38Å; I244-V247 HydrophobicContact CD1-CG2 3.74Å; I244-V247 HydrophobicContact CG1-CG2 4.32Å; V247-I249 HydrophobicContact CG1-CG1 4.28Å; V247-S269 PolarHBondContact N-O 3.29Å; V247-S269 VanDerWaalsContact N-O 3.09Å; V247-V270 HydrophobicContact CB-CG1 4.46Å; V247-V270 HydrophobicContact CB-CG2 4.33Å; V247-V270 WeakPolarHBondContact O-CA 3.39Å; V247-L271 PolarHBondContact O-N 3.09Å; V247-F334 VanDerWaalsContact O-CE1 3.32Å; V247-F334 WeakPolarHBondContact O-CE1 3.41Å; V247-L340 HydrophobicContact CG1-CD1 4.03Å; V247-L340 HydrophobicContact CG1-CG 4.11Å
248	L	98.9	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.2	164.6	166.9	64.1	0	0	0	107.6	V250 L271 L327 A331 F334 P336 L338 V339 L340 L373	L248-V250 HydrophobicContact CD1-CG2 4.05Å; L248-V250 HydrophobicContact CD2-CG2 3.83Å; L248-V250 HydrophobicContact CG-CG2 3.76Å; L248-L271 CarbonylContact C-O 3.56Å; L248-L271 WeakPolarHBondContact CA-O 3.5Å; L248-L271 HydrophobicContact CD1-CB 4.23Å; L248-L271 HydrophobicContact CD1-CD2 3.81Å; L248-L271 HydrophobicContact CD1-CG 3.79Å; L248-L327 HydrophobicContact CD1-CD1 4.04Å; L248-L327 HydrophobicContact CD2-CD1 4.24Å; L248-A331 HydrophobicContact CD2-CB 3.92Å; L248-F334 HydrophobicContact CB-CE1 4.47Å; L248-P336 HydrophobicContact CB-CB 3.68Å; L248-P336 HydrophobicContact CB-CG 3.98Å; L248-P336 HydrophobicContact CD2-CG 4.34Å; L248-L338 PolarHBondContact N-O 3.38Å; L248-V339 HydrophobicContact CB-CG1 4.49Å; L248-V339 HydrophobicContact CB-CG2 4.36Å; L248-V339 HydrophobicContact CD2-CG1 4.04Å; L248-V339 HydrophobicContact CD2-CG2 4.15Å; L248-V339 HydrophobicContact CG-CG1 4.18Å; L248-V339 WeakPolarHBondContact O-CA 3.34Å; L248-L340 PolarHBondContact O-N 2.94Å; L248-L373 HydrophobicContact CD2-CD1 3.72Å
249	I	98.9	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.7	165.7	-53	178.5	0	0	0	107.5	V231 A235 V247 T260 F264 V270 L271 Y272 F273 L340	V231-I249 HydrophobicContact CB-CG2 4.39Å; V231-I249 HydrophobicContact CG2-CG2 4.26Å; A235-I249 HydrophobicContact CB-CD1 4.04Å; V247-I249 HydrophobicContact CG1-CG1 4.28Å; I249-T260 HydrophobicContact CD1-CG2 3.84Å; I249-T260 HydrophobicContact CG2-CG2 4.1Å; I249-F264 HydrophobicContact CD1-CD2 4.01Å; I249-F264 HydrophobicContact CD1-CE2 3.54Å; I249-F264 HydrophobicContact CD1-CZ 4.28Å; I249-V270 HydrophobicContact CD1-CG1 3.75Å; I249-V270 HydrophobicContact CG1-CG1 3.9Å; I249-L271 PolarHBondContact N-O 3.48Å; I249-Y272 HydrophobicContact CB-CD2 4.28Å; I249-Y272 HydrophobicContact CG2-CD2 4.23Å; I249-F273 PolarHBondContact O-N 3.32Å; I249-L340 WeakPolarHBondContact CA-O 3.49Å; I249-L340 HydrophobicContact CG1-CB 4.39Å
250	V	98.9	Very high	98.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.7	172.9	-175.4	0	0	0	0	107.9	L248 F273 F323 L327 V339 L340 V341 A342 L370	L248-V250 HydrophobicContact CD1-CG2 4.05Å; L248-V250 HydrophobicContact CD2-CG2 3.83Å; L248-V250 HydrophobicContact CG-CG2 3.76Å; V250-F273 HydrophobicContact CG1-CD1 4.06Å; V250-F323 HydrophobicContact CG1-CZ 3.95Å; V250-L327 HydrophobicContact CG1-CD2 3.92Å; V250-L327 HydrophobicContact CG2-CD1 4.43Å; V250-L327 HydrophobicContact CG2-CD2 3.97Å; V250-V339 HydrophobicContact CG2-CG1 4.12Å; V250-L340 PolarHBondContact N-O 3.36Å; V250-V341 HydrophobicContact CB-CG2 4.41Å; V250-V341 CarbonylContact O-C 3.6Å; V250-V341 WeakPolarHBondContact O-CA 3.24Å; V250-A342 PolarHBondContact O-N 2.81Å; V250-L370 HydrophobicContact CB-CD1 4.25Å; V250-L370 HydrophobicContact CG1-CD1 4.22Å; V250-L370 HydrophobicContact CG2-CD1 4.06Å; V250-L370 HydrophobicContact CG2-CD2 3.89Å
251	D	98.9	Very high	98.4	Very high	0 Å²	0	31 Å²	31	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115.3	172.7	-167.3	-5.1	0	0	0	108.6	H215 D253 G257 Y272 F273 S274 I275 A342	H215-D251 IonicContact CE1-OD1 3.44Å; H215-D251 IonicContact CE1-OD2 3.44Å; H215-D251 IonicContact CG-OD2 3.56Å; H215-D251 IonicContact ND1-OD1 3.5Å; H215-D251 PolarHBondContact ND1-OD1 2.63Å; H215-D251 IonicContact ND1-OD2 2.81Å; H215-D251 PolarHBondContact ND1-OD2 3.37Å; D251-D253 VanDerWaalsContact OD1-CB 3.3Å; D251-D253 WeakPolarHBondContact OD1-CB 3.47Å; D251-D253 PolarHBondContact OD1-N 3.22Å; D251-G257 WeakPolarHBondContact OD2-CA 3.47Å; D251-G257 PolarHBondContact OD2-N 3.43Å; D251-G257 VanDerWaalsContact OD2-N 3.11Å; D251-Y272 HydrophobicContact CB-CE2 3.93Å; D251-Y272 PolarHBondContact OD2-OH 3.41Å; D251-F273 PolarHBondContact N-O 3.1Å; D251-S274 WeakPolarHBondContact O-CA 3.32Å; D251-I275 PolarHBondContact O-N 2.67Å; D251-A342 HydrophobicContact CB-CB 3.94Å
252	W	98.8	Very high	98.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	12%	0.123	C	C	.	.			trans	-114.7	5	177.7	70.4	31.7	0	0	0	112.7	F323 V341 A342 A343 G344 F345 F363 L366 T367 L370 L380	W252-F323 HydrophobicContact CE3-CZ 4.28Å; W252-V341 HydrophobicContact CD2-CG1 3.75Å; W252-V341 HydrophobicContact CE3-CG1 3.87Å; W252-V341 HydrophobicContact CG-CG1 4.34Å; W252-V341 HydrophobicContact CH2-CG1 4.13Å; W252-V341 HydrophobicContact CZ2-CG1 4.03Å; W252-V341 HydrophobicContact CZ3-CG1 4.06Å; W252-A342 PolarHBondContact N-O 3.29Å; W252-A343 HydrophobicContact CZ2-CB 4.13Å; W252-A343 VanDerWaalsContact NE1-CA 3.32Å; W252-G344 PolarHBondContact NE1-O 3.27Å; W252-F345 HydrophobicContact CZ2-CE1 4.31Å; W252-F345 HydrophobicContact CZ2-CZ 4.12Å; W252-F363 AromaticContact CD1-CE1 3.62Å; W252-F363 HydrophobicContact CD2-CD1 4.08Å; W252-F363 HydrophobicContact CD2-CE1 4.05Å; W252-F363 AromaticContact CE2-CD1 3.62Å; W252-F363 AromaticContact CE2-CE1 3.77Å; W252-F363 HydrophobicContact CG-CD1 4.48Å; W252-F363 AromaticContact CG-CE1 3.97Å; W252-F363 HydrophobicContact CG-CE1 3.97Å; W252-F363 HydrophobicContact CH2-CD1 4.43Å; W252-F363 AromaticContact CZ2-CD1 3.83Å; W252-F363 HydrophobicContact CZ2-CD1 3.83Å; W252-F363 HydrophobicContact CZ2-CE1 4.42Å; W252-F363 AromaticContact NE1-CD1 3.72Å; W252-F363 AromaticContact NE1-CE1 3.43Å; W252-L366 HydrophobicContact CE3-CB 3.91Å; W252-L366 HydrophobicContact CE3-CD1 4.04Å; W252-L366 HydrophobicContact CZ3-CB 3.69Å; W252-T367 WeakPolarHBondContact CH2-OG1 3.01Å; W252-L370 HydrophobicContact CZ3-CD1 4.21Å; W252-L380 HydrophobicContact CH2-CD2 4.06Å; W252-L380 HydrophobicContact CH2-CG 4.48Å; W252-L380 HydrophobicContact CZ2-CD2 4.03Å; W252-L380 HydrophobicContact CZ2-CG 4.47Å
253	D	98.8	Very high	98.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-58.6	147.3	170.1	-167.9	-74.1	0	0	0	109.6	H215 D251 H255 G344 G384	H215-D253 VanDerWaalsContact CE1-CB 3.44Å; H215-D253 WeakPolarHBondContact CE1-CB 3.29Å; H215-D253 VanDerWaalsContact CE1-CG 3.4Å; H215-D253 IonicContact CE1-OD1 3.87Å; H215-D253 IonicContact CE1-OD2 3.55Å; H215-D253 IonicContact NE2-OD1 3.88Å; H215-D253 IonicContact NE2-OD2 3.79Å; D251-D253 VanDerWaalsContact OD1-CB 3.3Å; D251-D253 WeakPolarHBondContact OD1-CB 3.47Å; D251-D253 PolarHBondContact OD1-N 3.22Å; D253-H255 PolarHBondContact O-N 3.14Å; D253-H255 VanDerWaalsContact O-N 3.16Å; D253-H255 WeakPolarHBondContact OD1-CB 3.3Å; D253-H255 IonicContact OD1-CE1 2.89Å; D253-H255 IonicContact OD1-CG 3.94Å; D253-H255 PolarHBondContact OD1-N 3.32Å; D253-H255 IonicContact OD1-ND1 3.25Å; D253-H255 PolarHBondContact OD1-ND1 2.92Å; D253-G344 WeakPolarHBondContact OD2-CA 3.44Å; D253-G384 WeakPolarHBondContact OD2-CA 3.36Å; D253-G384 PolarHBondContact OD2-N 2.8Å
254	V	98.5	Very high	98.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-69.6	-12.3	-178.4	85.3	0	0	0	0	112.4	H276 R277 D346 A347 M356	V254-H276 CarbonylContact O-C 3.23Å; V254-H276 WeakPolarHBondContact O-CA 3.11Å; V254-R277 HydrophobicContact CG2-CB 3.93Å; V254-R277 PolarHBondContact O-N 3.06Å; V254-D346 HydrophobicContact CB-CB 4.39Å; V254-D346 WeakPolarHBondContact CB-OD1 3.46Å; V254-D346 HydrophobicContact CG1-CB 3.75Å; V254-D346 VanDerWaalsContact CG1-OD1 3.32Å; V254-D346 WeakPolarHBondContact CG1-OD1 3.45Å; V254-D346 PolarHBondContact N-OD1 3.05Å; V254-A347 HydrophobicContact CB-CB 4.12Å; V254-A347 HydrophobicContact CG2-CB 4.2Å; V254-M356 HydrophobicContact CG2-CE 4.12Å; V254-M356 HydrophobicContact CG2-CG 3.7Å
255	H	98.8	Very high	98.6	Very high	12 Å²	12	20.3 Å²	20.3	6%	0.056	8%	0.084	C	C	.	.	S	Bend	trans	-101.9	148.4	173.4	-45.9	86.5	0	0	0	111	H216 D253 G257 F283 W284 D346	H216-H255 VanDerWaalsContact CE1-CB 3.45Å; H216-H255 WeakPolarHBondContact CE1-CB 3.48Å; D253-H255 PolarHBondContact O-N 3.14Å; D253-H255 VanDerWaalsContact O-N 3.16Å; D253-H255 WeakPolarHBondContact OD1-CB 3.3Å; D253-H255 IonicContact OD1-CE1 2.89Å; D253-H255 IonicContact OD1-CG 3.94Å; D253-H255 PolarHBondContact OD1-N 3.32Å; D253-H255 IonicContact OD1-ND1 3.25Å; D253-H255 PolarHBondContact OD1-ND1 2.92Å; H255-G257 PolarHBondContact O-N 2.91Å; H255-F283 AromaticContact CD2-CE1 3.36Å; H255-F283 WeakPolarHBondContact CD2-CE1 3.49Å; H255-F283 AromaticContact CD2-CZ 3.67Å; H255-F283 AromaticContact NE2-CE1 3.72Å; H255-F283 AromaticContact NE2-CZ 3.52Å; H255-W284 HydrophobicContact CB-CE3 4.45Å; H255-W284 HydrophobicContact CB-CZ3 4.13Å; H255-W284 AromaticContact CD2-CE3 3.81Å; H255-D346 IonicContact CE1-OD2 2.69Å; H255-D346 PolarHBondContact CE1-OD2 3.18Å; H255-D346 IonicContact ND1-OD2 3.83Å; H255-D346 PolarHBondContact ND1-OD2 3.16Å
256	H	98.8	Very high	98.6	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.077	C	C	.	.			trans	-76.6	119.1	177.2	173.1	-99.4	0	0	0	111.4	H216 Q258 Q261 H276 S290 N306	H216-H256 PolarHBondContact CE1-O 2.87Å; H216-H256 VanDerWaalsContact CE1-O 3.24Å; H216-H256 PolarHBondContact ND1-O 3.36Å; H216-H256 VanDerWaalsContact ND1-O 3.17Å; H256-Q258 VanDerWaalsContact C-N 3.31Å; H256-Q258 WeakPolarHBondContact CE1-CA 3.46Å; H256-Q258 WeakPolarHBondContact CE1-CB 3.41Å; H256-Q258 PolarHBondContact CE1-N 3.06Å; H256-Q258 PolarHBondContact ND1-N 2.84Å; H256-Q258 WeakPolarHBondContact NE2-CA 3.38Å; H256-Q258 WeakPolarHBondContact NE2-CB 3.38Å; H256-Q258 PolarHBondContact O-N 3.46Å; H256-Q258 PolarHBondContact O-OE1 2.92Å; H256-Q261 VanDerWaalsContact NE2-CB 3.26Å; H256-Q261 WeakPolarHBondContact NE2-CB 3.38Å; H256-Q261 VanDerWaalsContact NE2-CD 3.33Å; H256-Q261 PolarHBondContact NE2-OE1 3.41Å; H256-H276 HydrophobicContact CB-CB 4.17Å; H256-H276 AromaticContact CD2-CE1 3.47Å; H256-H276 PolarHBondContact CD2-CE1 3.04Å; H256-H276 VanDerWaalsContact CD2-CE1 3.47Å; H256-H276 AromaticContact CD2-ND1 3.56Å; H256-H276 AromaticContact CG-CE1 3.99Å; H256-H276 AromaticContact CG-ND1 3.99Å; H256-S290 WeakPolarHBondContact CB-OG 3.25Å; H256-S290 PolarHBondContact CE1-OG 3.12Å; H256-S290 PolarHBondContact ND1-OG 3.49Å; H256-N306 PolarHBondContact CD2-OD1 3.11Å
257	G	98.6	Very high	98.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.			trans	-68	72.7	173.5	0	0	0	0	0	114.9	H215 D251 H255 G259 T260 Q261 Y272	H215-G257 WeakPolarHBondContact ND1-CA 3.37Å; H215-G257 CarbonylContact O-C 3.55Å; H215-G257 WeakPolarHBondContact O-CA 3.35Å; D251-G257 WeakPolarHBondContact OD2-CA 3.47Å; D251-G257 PolarHBondContact OD2-N 3.43Å; D251-G257 VanDerWaalsContact OD2-N 3.11Å; H255-G257 PolarHBondContact O-N 2.91Å; G257-G259 VanDerWaalsContact C-N 3.29Å; G257-G259 PolarHBondContact O-N 3.1Å; G257-T260 WeakPolarHBondContact O-CB 3.36Å; G257-T260 PolarHBondContact O-N 3.3Å; G257-T260 VanDerWaalsContact O-N 3.09Å; G257-Q261 PolarHBondContact O-N 3.23Å; G257-Y272 WeakPolarHBondContact CA-OH 3.24Å; G257-Y272 PolarHBondContact N-OH 3.21Å; G257-Y272 PolarHBondContact O-OH 3.33Å; G257-Y272 VanDerWaalsContact O-OH 3.09Å
258	Q	98.6	Very high	98.6	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-60.3	-34.6	-176.7	73	-82.1	16.8	0	0	113.8	H216 D223 H256 T260 Q261 F262 L287	H216-Q258 PolarHBondContact ND1-OE1 2.93Å; D223-Q258 PolarHBondContact OD1-NE2 3.17Å; D223-Q258 VanDerWaalsContact OD1-NE2 3.1Å; D223-Q258 PolarHBondContact OD2-NE2 2.96Å; H256-Q258 VanDerWaalsContact C-N 3.31Å; H256-Q258 WeakPolarHBondContact CE1-CA 3.46Å; H256-Q258 WeakPolarHBondContact CE1-CB 3.41Å; H256-Q258 PolarHBondContact CE1-N 3.06Å; H256-Q258 PolarHBondContact ND1-N 2.84Å; H256-Q258 WeakPolarHBondContact NE2-CA 3.38Å; H256-Q258 WeakPolarHBondContact NE2-CB 3.38Å; H256-Q258 PolarHBondContact O-N 3.46Å; H256-Q258 PolarHBondContact O-OE1 2.92Å; Q258-T260 VanDerWaalsContact C-N 3.31Å; Q258-T260 PolarHBondContact O-N 3.39Å; Q258-Q261 PolarHBondContact O-N 3.34Å; Q258-F262 HydrophobicContact CB-CD2 4.37Å; Q258-F262 HydrophobicContact CB-CE2 3.82Å; Q258-F262 HydrophobicContact CB-CZ 3.92Å; Q258-F262 HydrophobicContact CG-CE2 3.93Å; Q258-F262 HydrophobicContact CG-CZ 4.44Å; Q258-F262 WeakPolarHBondContact O-CB 3.46Å; Q258-F262 VanDerWaalsContact O-CD2 3.24Å; Q258-F262 WeakPolarHBondContact O-CD2 3.29Å; Q258-F262 WeakPolarHBondContact O-CG 3.31Å; Q258-F262 PolarHBondContact O-N 3.08Å; Q258-L287 HydrophobicContact CB-CD1 3.63Å; Q258-L287 HydrophobicContact CG-CD1 3.73Å
259	G	98.5	Very high	98.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-41.3	175.8	0	0	0	0	0	111.9	H215 H216 A217 G257 T263	H215-G259 PolarHBondContact O-N 2.84Å; H216-G259 WeakPolarHBondContact O-CA 3.44Å; H216-G259 PolarHBondContact O-N 3.12Å; A217-G259 VanDerWaalsContact O-CA 3.29Å; A217-G259 WeakPolarHBondContact O-CA 3.34Å; G257-G259 VanDerWaalsContact C-N 3.29Å; G257-G259 PolarHBondContact O-N 3.1Å; G259-T263 WeakPolarHBondContact O-CB 3.42Å; G259-T263 PolarHBondContact O-N 3.46Å; G259-T263 PolarHBondContact O-OG1 2.93Å
260	T	98.8	Very high	98.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.2	-47.9	174.9	-51	0	0	0	0	110.7	H215 N229 V231 I249 G257 Q258 F262 T263 F264 Y272	H215-T260 PolarHBondContact O-N 3.26Å; H215-T260 VanDerWaalsContact O-N 3.1Å; H215-T260 PolarHBondContact O-OG1 3.15Å; H215-T260 VanDerWaalsContact O-OG1 3.12Å; N229-T260 PolarHBondContact ND2-N 3.46Å; N229-T260 PolarHBondContact ND2-OG1 2.95Å; N229-T260 PolarHBondContact OD1-OG1 3.03Å; V231-T260 HydrophobicContact CG2-CG2 4.18Å; I249-T260 HydrophobicContact CD1-CG2 3.84Å; I249-T260 HydrophobicContact CG2-CG2 4.1Å; G257-T260 WeakPolarHBondContact O-CB 3.36Å; G257-T260 PolarHBondContact O-N 3.3Å; G257-T260 VanDerWaalsContact O-N 3.09Å; Q258-T260 VanDerWaalsContact C-N 3.31Å; Q258-T260 PolarHBondContact O-N 3.39Å; T260-F262 PolarHBondContact O-N 3.31Å; T260-T263 PolarHBondContact O-N 2.88Å; T260-F264 HydrophobicContact CG2-CD2 4.24Å; T260-F264 HydrophobicContact CG2-CE2 4.27Å; T260-F264 VanDerWaalsContact O-CD2 3.23Å; T260-F264 WeakPolarHBondContact O-CD2 3.46Å; T260-F264 PolarHBondContact O-N 3.33Å; T260-Y272 HydrophobicContact CG2-CD2 3.5Å; T260-Y272 HydrophobicContact CG2-CE2 3.58Å; T260-Y272 HydrophobicContact CG2-CG 4.41Å
261	Q	98.7	Very high	98.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.1	-54	177.6	-165.1	-168	-75.4	0	0	111.7	H256 G257 Q258 T263 F264 D265 Y272 A289 T304 N306	H256-Q261 VanDerWaalsContact NE2-CB 3.26Å; H256-Q261 WeakPolarHBondContact NE2-CB 3.38Å; H256-Q261 VanDerWaalsContact NE2-CD 3.33Å; H256-Q261 PolarHBondContact NE2-OE1 3.41Å; G257-Q261 PolarHBondContact O-N 3.23Å; Q258-Q261 PolarHBondContact O-N 3.34Å; Q261-T263 PolarHBondContact O-N 3.32Å; Q261-T263 VanDerWaalsContact O-N 3.11Å; Q261-F264 CarbonylContact O-C 3.54Å; Q261-F264 PolarHBondContact O-N 3.18Å; Q261-D265 PolarHBondContact NE2-OD1 2.8Å; Q261-D265 PolarHBondContact NE2-OD2 3.28Å; Q261-D265 PolarHBondContact O-N 3.3Å; Q261-Y272 HydrophobicContact CB-CD1 3.95Å; Q261-Y272 HydrophobicContact CB-CE1 3.6Å; Q261-Y272 HydrophobicContact CG-CD1 3.95Å; Q261-Y272 HydrophobicContact CG-CE1 3.91Å; Q261-A289 PolarHBondContact OE1-O 3.1Å; Q261-T304 HydrophobicContact CG-CG2 3.57Å; Q261-N306 PolarHBondContact OE1-ND2 2.74Å
262	F	98.4	Very high	98.5	Very high	90 Å²	90	17.8 Å²	17.8	40%	0.395	9%	0.092	S	C	.	.	H	α-helix	trans	-63.1	-23.4	-175.7	-59.4	-24.2	0	0	0	113	Q258 T260 L287 A289	Q258-F262 HydrophobicContact CB-CD2 4.37Å; Q258-F262 HydrophobicContact CB-CE2 3.82Å; Q258-F262 HydrophobicContact CB-CZ 3.92Å; Q258-F262 HydrophobicContact CG-CE2 3.93Å; Q258-F262 HydrophobicContact CG-CZ 4.44Å; Q258-F262 WeakPolarHBondContact O-CB 3.46Å; Q258-F262 VanDerWaalsContact O-CD2 3.24Å; Q258-F262 WeakPolarHBondContact O-CD2 3.29Å; Q258-F262 WeakPolarHBondContact O-CG 3.31Å; Q258-F262 PolarHBondContact O-N 3.08Å; T260-F262 PolarHBondContact O-N 3.31Å; F262-L287 HydrophobicContact CZ-CD1 4.13Å; F262-A289 HydrophobicContact CE1-CB 3.96Å; F262-A289 HydrophobicContact CZ-CB 4.35Å
263	T	98.7	Very high	98.6	Very high	28 Å²	28	17.8 Å²	17.8	17%	0.172	9%	0.092	C	C	.	.	H	α-helix	trans	-74.2	-24.1	175.6	-58.2	0	0	0	0	113.1	V144 A232 R236 G259 T260 Q261	V144-T263 HydrophobicContact CG1-CG2 3.89Å; V144-T263 HydrophobicContact CG2-CG2 4.07Å; A232-T263 HydrophobicContact CB-CG2 4.1Å; R236-T263 PolarHBondContact NH2-O 3.19Å; G259-T263 WeakPolarHBondContact O-CB 3.42Å; G259-T263 PolarHBondContact O-N 3.46Å; G259-T263 PolarHBondContact O-OG1 2.93Å; T260-T263 PolarHBondContact O-N 2.88Å; Q261-T263 PolarHBondContact O-N 3.32Å; Q261-T263 VanDerWaalsContact O-N 3.11Å
264	F	98.7	Very high	98.6	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-126.7	-2.4	-173.3	-57	-64.5	0	0	0	115.3	A232 A235 R236 I249 T260 Q261 Q266 D267 V270	A232-F264 HydrophobicContact CB-CE2 3.52Å; A232-F264 HydrophobicContact CB-CZ 3.77Å; A235-F264 HydrophobicContact CB-CZ 3.93Å; R236-F264 HydrophobicContact CG-CE1 4.26Å; R236-F264 HydrophobicContact CG-CZ 4.37Å; I249-F264 HydrophobicContact CD1-CD2 4.01Å; I249-F264 HydrophobicContact CD1-CE2 3.54Å; I249-F264 HydrophobicContact CD1-CZ 4.28Å; T260-F264 HydrophobicContact CG2-CD2 4.24Å; T260-F264 HydrophobicContact CG2-CE2 4.27Å; T260-F264 VanDerWaalsContact O-CD2 3.23Å; T260-F264 WeakPolarHBondContact O-CD2 3.46Å; T260-F264 PolarHBondContact O-N 3.33Å; Q261-F264 CarbonylContact O-C 3.54Å; Q261-F264 PolarHBondContact O-N 3.18Å; F264-Q266 PolarHBondContact O-N 2.87Å; F264-D267 PolarHBondContact O-N 3.4Å; F264-V270 HydrophobicContact CB-CB 4.14Å; F264-V270 HydrophobicContact CB-CG1 4.29Å; F264-V270 HydrophobicContact CD1-CB 3.55Å; F264-V270 HydrophobicContact CD1-CG1 3.91Å; F264-V270 HydrophobicContact CD1-CG2 3.54Å; F264-V270 HydrophobicContact CD2-CB 4.38Å; F264-V270 HydrophobicContact CD2-CG1 3.85Å; F264-V270 HydrophobicContact CE1-CB 4.02Å; F264-V270 HydrophobicContact CE1-CG1 4.19Å; F264-V270 HydrophobicContact CE1-CG2 3.55Å; F264-V270 HydrophobicContact CE2-CG1 4.14Å; F264-V270 HydrophobicContact CG-CB 3.77Å; F264-V270 HydrophobicContact CG-CG1 3.74Å; F264-V270 HydrophobicContact CG-CG2 4.25Å; F264-V270 HydrophobicContact CZ-CG1 4.31Å; F264-V270 HydrophobicContact CZ-CG2 4.27Å
265	D	96.9	Very high	98.6	Very high	11 Å²	11	17.8 Å²	17.8	6%	0.059	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-23.1	178.8	-106.7	-33.5	0	0	0	114.2	Q261 G296 F297 T304	Q261-D265 PolarHBondContact NE2-OD1 2.8Å; Q261-D265 PolarHBondContact NE2-OD2 3.28Å; Q261-D265 PolarHBondContact O-N 3.3Å; D265-G296 CarbonylContact O-C 3.56Å; D265-G296 WeakPolarHBondContact O-CA 3.48Å; D265-G296 VanDerWaalsContact OD1-CA 3.31Å; D265-G296 WeakPolarHBondContact OD1-CA 3.33Å; D265-F297 HydrophobicContact CB-CD1 3.95Å; D265-F297 HydrophobicContact CB-CE1 3.63Å; D265-F297 PolarHBondContact O-N 3.43Å; D265-T304 PolarHBondContact OD1-OG1 3.22Å
266	Q	97.8	Very high	98.6	Very high	123 Å²	123	17.2 Å²	17.2	58%	0.575	9%	0.09	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.8	1.1	177.8	-72.7	-176	87.4	0	0	115.5	F264 F297 G300	F264-Q266 PolarHBondContact O-N 2.87Å; Q266-F297 WeakPolarHBondContact CA-O 3.4Å; Q266-F297 HydrophobicContact CG-CD1 4.43Å; Q266-F297 HydrophobicContact CG-CD2 3.59Å; Q266-F297 HydrophobicContact CG-CE1 4.2Å; Q266-F297 HydrophobicContact CG-CE2 3.3Å; Q266-F297 HydrophobicContact CG-CG 4.16Å; Q266-F297 HydrophobicContact CG-CZ 3.64Å; Q266-G300 VanDerWaalsContact C-CA 3.47Å; Q266-G300 VanDerWaalsContact C-N 3.28Å; Q266-G300 PolarHBondContact O-N 3.28Å; Q266-G300 VanDerWaalsContact O-N 3.11Å
267	D	98.3	Very high	98.6	Very high	32 Å²	32	18.1 Å²	18.1	17%	0.171	9%	0.093	C	C	.	.			trans	-121.9	99.5	-161.7	-167.2	-17.7	0	0	0	113.8	R236 F264 S269 V270	R236-D267 IonicContact CZ-OD2 2.98Å; R236-D267 IonicContact NH1-OD2 3.27Å; R236-D267 PolarHBondContact NH1-OD2 3.28Å; R236-D267 IonicContact NH2-OD2 3.99Å; R236-D267 PolarHBondContact NH2-OD2 3.36Å; F264-D267 PolarHBondContact O-N 3.4Å; D267-S269 PolarHBondContact O-N 3.19Å; D267-S269 VanDerWaalsContact OD1-CB 3.26Å; D267-S269 WeakPolarHBondContact OD1-CB 3.32Å; D267-S269 PolarHBondContact OD1-N 2.81Å; D267-S269 PolarHBondContact OD1-OG 2.91Å; D267-S269 PolarHBondContact OD2-OG 2.86Å; D267-V270 PolarHBondContact O-N 3.31Å; D267-V270 VanDerWaalsContact O-N 3.14Å
268	P	98.4	Very high	98.6	Very high	47 Å²	47	19.1 Å²	19.1	31%	0.305	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	2.5	-179.3	31.8	-35.8	0	0	0	114.1	V270 Q299 Y303	P268-V270 VanDerWaalsContact C-N 3.33Å; P268-Q299 WeakPolarHBondContact CB-O 3.36Å; P268-Q299 WeakPolarHBondContact CD-O 3.33Å; P268-Q299 HydrophobicContact CG-CB 4.14Å; P268-Q299 WeakPolarHBondContact CG-O 3.27Å; P268-Y303 HydrophobicContact CB-CD1 4.01Å; P268-Y303 HydrophobicContact CB-CD2 3.78Å; P268-Y303 HydrophobicContact CB-CE1 3.81Å; P268-Y303 HydrophobicContact CB-CE2 3.6Å; P268-Y303 HydrophobicContact CB-CG 4Å; P268-Y303 WeakPolarHBondContact O-CE1 3.46Å
269	S	98.6	Very high	98.5	Very high	27 Å²	27	20.3 Å²	20.3	19%	0.189	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.5	170.3	72.8	0	0	0	0	113.4	Q239 R245 R246 V247 D267	Q239-S269 PolarHBondContact NE2-O 3.49Å; Q239-S269 PolarHBondContact NE2-OG 3.47Å; R245-S269 WeakPolarHBondContact O-CB 3.22Å; R246-S269 WeakPolarHBondContact CA-O 2.97Å; V247-S269 PolarHBondContact N-O 3.29Å; V247-S269 VanDerWaalsContact N-O 3.09Å; D267-S269 PolarHBondContact O-N 3.19Å; D267-S269 VanDerWaalsContact OD1-CB 3.26Å; D267-S269 WeakPolarHBondContact OD1-CB 3.32Å; D267-S269 PolarHBondContact OD1-N 2.81Å; D267-S269 PolarHBondContact OD1-OG 2.91Å; D267-S269 PolarHBondContact OD2-OG 2.86Å
270	V	98.9	Very high	98.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	117.6	174.2	-175.7	0	0	0	0	109.5	A235 Q239 V247 I249 F264 D267 P268	A235-V270 HydrophobicContact CB-CG2 4.46Å; Q239-V270 VanDerWaalsContact NE2-CG2 3.34Å; V247-V270 HydrophobicContact CB-CG1 4.46Å; V247-V270 HydrophobicContact CB-CG2 4.33Å; V247-V270 WeakPolarHBondContact O-CA 3.39Å; I249-V270 HydrophobicContact CD1-CG1 3.75Å; I249-V270 HydrophobicContact CG1-CG1 3.9Å; F264-V270 HydrophobicContact CB-CB 4.14Å; F264-V270 HydrophobicContact CB-CG1 4.29Å; F264-V270 HydrophobicContact CD1-CB 3.55Å; F264-V270 HydrophobicContact CD1-CG1 3.91Å; F264-V270 HydrophobicContact CD1-CG2 3.54Å; F264-V270 HydrophobicContact CD2-CB 4.38Å; F264-V270 HydrophobicContact CD2-CG1 3.85Å; F264-V270 HydrophobicContact CE1-CB 4.02Å; F264-V270 HydrophobicContact CE1-CG1 4.19Å; F264-V270 HydrophobicContact CE1-CG2 3.55Å; F264-V270 HydrophobicContact CE2-CG1 4.14Å; F264-V270 HydrophobicContact CG-CB 3.77Å; F264-V270 HydrophobicContact CG-CG1 3.74Å; F264-V270 HydrophobicContact CG-CG2 4.25Å; F264-V270 HydrophobicContact CZ-CG1 4.31Å; F264-V270 HydrophobicContact CZ-CG2 4.27Å; D267-V270 PolarHBondContact O-N 3.31Å; D267-V270 VanDerWaalsContact O-N 3.14Å; P268-V270 VanDerWaalsContact C-N 3.33Å
271	L	98.9	Very high	98.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120	169.7	173.5	61.2	0	0	0	108	V247 L248 I249 Y303 I305 V330 F334 W435	V247-L271 PolarHBondContact O-N 3.09Å; L248-L271 CarbonylContact C-O 3.56Å; L248-L271 WeakPolarHBondContact CA-O 3.5Å; L248-L271 HydrophobicContact CD1-CB 4.23Å; L248-L271 HydrophobicContact CD1-CD2 3.81Å; L248-L271 HydrophobicContact CD1-CG 3.79Å; I249-L271 PolarHBondContact N-O 3.48Å; L271-Y303 WeakPolarHBondContact CA-O 3.24Å; L271-I305 HydrophobicContact CD1-CD1 3.93Å; L271-I305 HydrophobicContact CD1-CG1 4.32Å; L271-V330 HydrophobicContact CD1-CG1 4.3Å; L271-V330 HydrophobicContact CD2-CG1 3.78Å; L271-F334 HydrophobicContact CB-CD1 3.7Å; L271-F334 HydrophobicContact CB-CD2 4.25Å; L271-F334 HydrophobicContact CB-CE1 3.47Å; L271-F334 VanDerWaalsContact CB-CE1 3.47Å; L271-F334 HydrophobicContact CB-CE2 4.04Å; L271-F334 HydrophobicContact CB-CG 4.09Å; L271-F334 HydrophobicContact CB-CZ 3.64Å; L271-F334 HydrophobicContact CD2-CB 3.86Å; L271-F334 HydrophobicContact CD2-CD1 3.65Å; L271-F334 HydrophobicContact CD2-CD2 4.5Å; L271-F334 HydrophobicContact CD2-CE1 4.3Å; L271-F334 HydrophobicContact CD2-CG 3.76Å; L271-F334 HydrophobicContact CG-CD1 4.35Å; L271-W435 HydrophobicContact CD1-CZ2 4.1Å
272	Y	98.9	Very high	98.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.5	174.6	171.1	-107	0	0	0	110.1	I249 D251 G257 T260 Q261 S274 Y303 T304 I305	I249-Y272 HydrophobicContact CB-CD2 4.28Å; I249-Y272 HydrophobicContact CG2-CD2 4.23Å; D251-Y272 HydrophobicContact CB-CE2 3.93Å; D251-Y272 PolarHBondContact OD2-OH 3.41Å; G257-Y272 WeakPolarHBondContact CA-OH 3.24Å; G257-Y272 PolarHBondContact N-OH 3.21Å; G257-Y272 PolarHBondContact O-OH 3.33Å; G257-Y272 VanDerWaalsContact O-OH 3.09Å; T260-Y272 HydrophobicContact CG2-CD2 3.5Å; T260-Y272 HydrophobicContact CG2-CE2 3.58Å; T260-Y272 HydrophobicContact CG2-CG 4.41Å; Q261-Y272 HydrophobicContact CB-CD1 3.95Å; Q261-Y272 HydrophobicContact CB-CE1 3.6Å; Q261-Y272 HydrophobicContact CG-CD1 3.95Å; Q261-Y272 HydrophobicContact CG-CE1 3.91Å; Y272-S274 WeakPolarHBondContact OH-CB 3.44Å; Y272-Y303 PolarHBondContact N-O 2.96Å; Y272-T304 HydrophobicContact CD1-CG2 4.3Å; Y272-T304 CarbonylContact O-C 3.33Å; Y272-T304 WeakPolarHBondContact O-CA 3.11Å; Y272-I305 PolarHBondContact O-N 3.43Å
273	F	98.9	Very high	98.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.4	178.5	171.7	-86.4	0	0	0	109.5	I249 V250 D251 I275 I305 V307 F323 V326 L327	I249-F273 PolarHBondContact O-N 3.32Å; V250-F273 HydrophobicContact CG1-CD1 4.06Å; D251-F273 PolarHBondContact N-O 3.1Å; F273-I275 HydrophobicContact CD1-CG1 4.39Å; F273-I275 HydrophobicContact CE1-CD1 3.67Å; F273-I275 HydrophobicContact CE1-CG1 3.38Å; F273-I275 HydrophobicContact CZ-CD1 3.78Å; F273-I275 HydrophobicContact CZ-CG1 3.57Å; F273-I305 CarbonylContact C-O 3.5Å; F273-I305 WeakPolarHBondContact CA-O 3.43Å; F273-I305 HydrophobicContact CB-CB 4.32Å; F273-I305 HydrophobicContact CD2-CB 3.78Å; F273-I305 HydrophobicContact CD2-CD1 4.29Å; F273-I305 HydrophobicContact CD2-CG2 3.36Å; F273-I305 HydrophobicContact CE2-CG2 3.77Å; F273-I305 HydrophobicContact CG-CB 4.46Å; F273-I305 HydrophobicContact CG-CG2 4.39Å; F273-V307 HydrophobicContact CE2-CG2 3.88Å; F273-V307 HydrophobicContact CZ-CG2 4.07Å; F273-F323 HydrophobicContact CE1-CD2 4.43Å; F273-F323 HydrophobicContact CE1-CE2 4.12Å; F273-V326 HydrophobicContact CE2-CB 4.21Å; F273-V326 HydrophobicContact CE2-CG1 4.05Å; F273-L327 HydrophobicContact CB-CD1 3.94Å; F273-L327 HydrophobicContact CD1-CB 4.47Å; F273-L327 HydrophobicContact CD1-CD1 4.03Å; F273-L327 HydrophobicContact CD1-CD2 3.85Å; F273-L327 HydrophobicContact CD1-CG 4.33Å; F273-L327 HydrophobicContact CD2-CB 4.1Å; F273-L327 HydrophobicContact CD2-CD1 3.9Å; F273-L327 HydrophobicContact CD2-CG 4.46Å; F273-L327 HydrophobicContact CE1-CB 4.1Å; F273-L327 HydrophobicContact CE1-CD1 4.5Å; F273-L327 HydrophobicContact CE1-CD2 3.77Å; F273-L327 HydrophobicContact CE1-CG 4.34Å; F273-L327 HydrophobicContact CE2-CB 3.76Å; F273-L327 HydrophobicContact CE2-CD1 4.44Å; F273-L327 HydrophobicContact CG-CB 4.47Å; F273-L327 HydrophobicContact CG-CD1 3.71Å; F273-L327 HydrophobicContact CG-CD2 4.37Å; F273-L327 HydrophobicContact CG-CG 4.39Å; F273-L327 HydrophobicContact CZ-CB 3.76Å; F273-L327 HydrophobicContact CZ-CD2 4.3Å; F273-L327 HydrophobicContact CZ-CG 4.47Å
274	S	98.9	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134	179	179.1	0	0	0	0	112.6	D251 Y272 H276 I305 V307	D251-S274 WeakPolarHBondContact O-CA 3.32Å; Y272-S274 WeakPolarHBondContact OH-CB 3.44Å; S274-H276 PolarHBondContact OG-ND1 3.47Å; S274-I305 PolarHBondContact N-O 2.97Å; S274-V307 PolarHBondContact O-N 2.9Å
275	I	98.8	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.2	167.7	-49.2	178	0	0	0	108.5	D251 F273 V307 W309 Y319 A322 F323	D251-I275 PolarHBondContact O-N 2.67Å; F273-I275 HydrophobicContact CD1-CG1 4.39Å; F273-I275 HydrophobicContact CE1-CD1 3.67Å; F273-I275 HydrophobicContact CE1-CG1 3.38Å; F273-I275 HydrophobicContact CZ-CD1 3.78Å; F273-I275 HydrophobicContact CZ-CG1 3.57Å; I275-V307 HydrophobicContact CG1-CB 4.18Å; I275-V307 HydrophobicContact CG2-CB 4.42Å; I275-W309 HydrophobicContact CG2-CD2 4.05Å; I275-W309 HydrophobicContact CG2-CG 4.47Å; I275-W309 HydrophobicContact CG2-CH2 4.31Å; I275-W309 HydrophobicContact CG2-CZ2 3.47Å; I275-W309 VanDerWaalsContact CG2-CZ2 3.47Å; I275-W309 VanDerWaalsContact CG2-NE1 3.26Å; I275-Y319 HydrophobicContact CB-CD1 4.46Å; I275-Y319 HydrophobicContact CB-CE1 4.27Å; I275-Y319 HydrophobicContact CD1-CD1 4.1Å; I275-Y319 HydrophobicContact CG2-CD1 4.04Å; I275-Y319 HydrophobicContact CG2-CE1 3.8Å; I275-A322 HydrophobicContact CD1-CB 3.64Å; I275-A322 HydrophobicContact CG1-CB 4.39Å; I275-F323 HydrophobicContact CD1-CD2 3.76Å; I275-F323 HydrophobicContact CD1-CE2 3.67Å
276	H	98.8	Very high	98.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	156.7	-170.5	53	-97.4	0	0	0	111.8	V254 H256 S274 S290 V307 W309	V254-H276 CarbonylContact O-C 3.23Å; V254-H276 WeakPolarHBondContact O-CA 3.11Å; H256-H276 HydrophobicContact CB-CB 4.17Å; H256-H276 AromaticContact CD2-CE1 3.47Å; H256-H276 PolarHBondContact CD2-CE1 3.04Å; H256-H276 VanDerWaalsContact CD2-CE1 3.47Å; H256-H276 AromaticContact CD2-ND1 3.56Å; H256-H276 AromaticContact CG-CE1 3.99Å; H256-H276 AromaticContact CG-ND1 3.99Å; S274-H276 PolarHBondContact OG-ND1 3.47Å; H276-S290 PolarHBondContact CE1-O 3.09Å; H276-S290 VanDerWaalsContact CE1-O 3.29Å; H276-S290 PolarHBondContact NE2-O 3.28Å; H276-V307 PolarHBondContact N-O 2.95Å; H276-W309 PolarHBondContact O-N 2.83Å
277	R	98.7	Very high	98	Very high	19 Å²	19	35.5 Å²	35.5	7%	0.072	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	135.2	167.5	-176.1	178.3	171.7	-177.4	5.6	109.7	V254 E279 F283 V312 K353 G354 E355 M356	V254-R277 HydrophobicContact CG2-CB 3.93Å; V254-R277 PolarHBondContact O-N 3.06Å; R277-E279 HydrophobicContact CG-CG 4.45Å; R277-E279 IonicContact CZ-OE2 3.99Å; R277-E279 VanDerWaalsContact CZ-OE2 3.3Å; R277-E279 IonicContact NE-OE2 3.16Å; R277-E279 PolarHBondContact NE-OE2 2.73Å; R277-E279 IonicContact NH2-OE2 3.18Å; R277-E279 PolarHBondContact NH2-OE2 3.2Å; R277-F283 HydrophobicContact CB-CD1 3.56Å; R277-F283 HydrophobicContact CB-CE1 3.79Å; R277-F283 HydrophobicContact CB-CG 4.07Å; R277-F283 VanDerWaalsContact CD-CD2 3.47Å; R277-F283 HydrophobicContact CG-CB 3.86Å; R277-F283 HydrophobicContact CG-CD1 3.63Å; R277-F283 HydrophobicContact CG-CD2 4.04Å; R277-F283 HydrophobicContact CG-CE1 4.09Å; R277-F283 HydrophobicContact CG-CE2 4.49Å; R277-F283 HydrophobicContact CG-CG 3.57Å; R277-F283 VanDerWaalsContact CZ-CD2 3.48Å; R277-F283 VanDerWaalsContact NE-CD2 3.26Å; R277-F283 VanDerWaalsContact NH1-CE2 3.33Å; R277-F283 WeakPolarHBondContact O-CD1 3.15Å; R277-V312 VanDerWaalsContact CZ-CG1 3.44Å; R277-K353 PolarHBondContact NH1-O 3.23Å; R277-G354 WeakPolarHBondContact CD-O 3.24Å; R277-G354 PolarHBondContact NH1-O 3Å; R277-E355 IonicContact CZ-OE1 2.7Å; R277-E355 IonicContact NH1-OE1 3.87Å; R277-E355 PolarHBondContact NH1-OE1 2.87Å; R277-E355 IonicContact NH2-OE1 2.77Å; R277-E355 PolarHBondContact NH2-OE1 2.94Å; R277-E355 IonicContact NH2-OE2 3.45Å; R277-M356 HydrophobicContact CB-CE 3.61Å; R277-M356 HydrophobicContact CG-CE 3.81Å
278	Y	98.6	Very high	97.9	Very high	21 Å²	21	42.6 Å²	42.6	8%	0.082	20%	0.2	C	C	.	.			trans	-136.7	-43	-175.8	-176.1	-120.8	0	0	0	112.6	Q280 G281 R282 F283 L287 N291 P308 W309	Y278-Q280 PolarHBondContact O-N 2.85Å; Y278-G281 VanDerWaalsContact CE1-N 3.35Å; Y278-G281 VanDerWaalsContact CE2-CA 3.46Å; Y278-G281 VanDerWaalsContact CZ-N 3.3Å; Y278-G281 CarbonylContact O-C 3.54Å; Y278-G281 WeakPolarHBondContact O-CA 3.41Å; Y278-G281 PolarHBondContact O-N 2.89Å; Y278-R282 PolarHBondContact O-N 3.29Å; Y278-F283 PolarHBondContact O-N 3.33Å; Y278-F283 VanDerWaalsContact O-N 3.13Å; Y278-L287 WeakPolarHBondContact CE2-O 3.28Å; Y278-N291 HydrophobicContact CE1-CB 4.13Å; Y278-N291 WeakPolarHBondContact CE1-OD1 3.1Å; Y278-P308 VanDerWaalsContact CB-CB 3.42Å; Y278-P308 HydrophobicContact CD1-CB 3.55Å; Y278-P308 HydrophobicContact CD1-CG 4.28Å; Y278-P308 HydrophobicContact CD2-CB 4.45Å; Y278-P308 HydrophobicContact CE1-CB 4.42Å; Y278-P308 HydrophobicContact CG-CB 3.57Å; Y278-W309 PolarHBondContact N-O 2.82Å
279	E	97.6	Very high	97.8	Very high	26 Å²	26	41.6 Å²	41.6	12%	0.121	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	50.6	40.3	179.4	-76.3	-161.8	66.7	0	0	113.7	R277 R282 W309	R277-E279 HydrophobicContact CG-CG 4.45Å; R277-E279 IonicContact CZ-OE2 3.99Å; R277-E279 VanDerWaalsContact CZ-OE2 3.3Å; R277-E279 IonicContact NE-OE2 3.16Å; R277-E279 PolarHBondContact NE-OE2 2.73Å; R277-E279 IonicContact NH2-OE2 3.18Å; R277-E279 PolarHBondContact NH2-OE2 3.2Å; E279-R282 HydrophobicContact CB-CB 4.05Å; E279-R282 VanDerWaalsContact O-CB 3.31Å; E279-R282 WeakPolarHBondContact O-CB 3.47Å; E279-R282 VanDerWaalsContact O-CG 3.27Å; E279-R282 WeakPolarHBondContact O-CG 3.36Å; E279-R282 PolarHBondContact O-N 3.48Å; E279-R282 PolarHBondContact O-NE 3.18Å; E279-R282 IonicContact OE1-CZ 3.5Å; E279-R282 IonicContact OE1-NH1 2.82Å; E279-R282 PolarHBondContact OE1-NH1 3.48Å; E279-R282 IonicContact OE1-NH2 3.21Å; E279-R282 PolarHBondContact OE1-NH2 2.81Å; E279-W309 PolarHBondContact N-O 2.62Å
280	Q	96.1	Very high	97.8	Very high	152 Å²	152	40.4 Å²	40.4	71%	0.71	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	62.8	35.2	-173.9	-50.3	175	4.7	0	0	113.8	Y278 N310	Y278-Q280 PolarHBondContact O-N 2.85Å; Q280-N310 WeakPolarHBondContact CG-OD1 3.35Å; Q280-N310 PolarHBondContact N-OD1 2.73Å
281	G	95.3	Very high	97.8	Very high	17 Å²	17	41.6 Å²	41.6	18%	0.175	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	81.9	10.7	-176.8	0	0	0	0	0	114.1	Y278 H286	Y278-G281 VanDerWaalsContact CE1-N 3.35Å; Y278-G281 VanDerWaalsContact CE2-CA 3.46Å; Y278-G281 VanDerWaalsContact CZ-N 3.3Å; Y278-G281 CarbonylContact O-C 3.54Å; Y278-G281 WeakPolarHBondContact O-CA 3.41Å; Y278-G281 PolarHBondContact O-N 2.89Å; G281-H286 WeakPolarHBondContact O-CA 3.39Å; G281-H286 PolarHBondContact O-ND1 3.04Å
282	R	97.7	Very high	97.7	Very high	155 Å²	155	45.5 Å²	45.5	59%	0.585	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-21.7	176.7	-63.9	-177.2	-64.6	117	-2.1	113.1	Y278 E279 H286	Y278-R282 PolarHBondContact O-N 3.29Å; E279-R282 HydrophobicContact CB-CB 4.05Å; E279-R282 VanDerWaalsContact O-CB 3.31Å; E279-R282 WeakPolarHBondContact O-CB 3.47Å; E279-R282 VanDerWaalsContact O-CG 3.27Å; E279-R282 WeakPolarHBondContact O-CG 3.36Å; E279-R282 PolarHBondContact O-N 3.48Å; E279-R282 PolarHBondContact O-NE 3.18Å; E279-R282 IonicContact OE1-CZ 3.5Å; E279-R282 IonicContact OE1-NH1 2.82Å; E279-R282 PolarHBondContact OE1-NH1 3.48Å; E279-R282 IonicContact OE1-NH2 3.21Å; E279-R282 PolarHBondContact OE1-NH2 2.81Å; R282-H286 PolarHBondContact O-CE1 3.46Å; R282-H286 PolarHBondContact O-ND1 2.86Å
283	F	98.2	Very high	97.6	Very high	28 Å²	28	48.7 Å²	48.7	12%	0.123	23%	0.231	C	C	.	.	S	Bend	trans	-86.6	152.9	170.6	-167.6	-113.2	0	0	0	111.1	H255 R277 Y278 H286 K353	H255-F283 AromaticContact CD2-CE1 3.36Å; H255-F283 WeakPolarHBondContact CD2-CE1 3.49Å; H255-F283 AromaticContact CD2-CZ 3.67Å; H255-F283 AromaticContact NE2-CE1 3.72Å; H255-F283 AromaticContact NE2-CZ 3.52Å; R277-F283 HydrophobicContact CB-CD1 3.56Å; R277-F283 HydrophobicContact CB-CE1 3.79Å; R277-F283 HydrophobicContact CB-CG 4.07Å; R277-F283 VanDerWaalsContact CD-CD2 3.47Å; R277-F283 HydrophobicContact CG-CB 3.86Å; R277-F283 HydrophobicContact CG-CD1 3.63Å; R277-F283 HydrophobicContact CG-CD2 4.04Å; R277-F283 HydrophobicContact CG-CE1 4.09Å; R277-F283 HydrophobicContact CG-CE2 4.49Å; R277-F283 HydrophobicContact CG-CG 3.57Å; R277-F283 VanDerWaalsContact CZ-CD2 3.48Å; R277-F283 VanDerWaalsContact NE-CD2 3.26Å; R277-F283 VanDerWaalsContact NH1-CE2 3.33Å; R277-F283 WeakPolarHBondContact O-CD1 3.15Å; Y278-F283 PolarHBondContact O-N 3.33Å; Y278-F283 VanDerWaalsContact O-N 3.13Å; F283-H286 VanDerWaalsContact C-CE1 3.47Å; F283-H286 VanDerWaalsContact C-ND1 3.33Å; F283-H286 VanDerWaalsContact O-CA 3.32Å; F283-H286 WeakPolarHBondContact O-CA 3.38Å; F283-H286 PolarHBondContact O-N 3.1Å; F283-H286 PolarHBondContact O-ND1 3.47Å; F283-K353 WeakPolarHBondContact CE2-O 3.13Å; F283-K353 WeakPolarHBondContact CZ-O 3.33Å
284	W	97.9	Very high	97.5	Very high	40 Å²	40	50.4 Å²	50.4	15%	0.152	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	141.6	179.6	-178.2	92.3	0	0	0	109.9	D172 H216 D223 G224 H255 H286	D172-W284 PolarHBondContact OD2-NE1 2.85Å; H216-W284 AromaticContact CD2-CH2 3.82Å; H216-W284 AromaticContact CD2-CZ3 3.99Å; H216-W284 AromaticContact CE1-CH2 3.78Å; H216-W284 AromaticContact CE1-CZ3 3.47Å; H216-W284 VanDerWaalsContact CE1-CZ3 3.47Å; H216-W284 WeakPolarHBondContact CE1-CZ3 3.43Å; H216-W284 AromaticContact CG-CH2 3.84Å; H216-W284 AromaticContact ND1-CH2 3.8Å; H216-W284 AromaticContact ND1-CZ3 3.96Å; H216-W284 AromaticContact NE2-CH2 3.73Å; H216-W284 AromaticContact NE2-CZ3 3.41Å; H216-W284 WeakPolarHBondContact NE2-CZ3 3.25Å; D223-W284 WeakPolarHBondContact OD1-CZ2 3.34Å; G224-W284 VanDerWaalsContact CA-CH2 3.47Å; H255-W284 HydrophobicContact CB-CE3 4.45Å; H255-W284 HydrophobicContact CB-CZ3 4.13Å; H255-W284 AromaticContact CD2-CE3 3.81Å; W284-H286 AromaticContact CD1-NE2 3.99Å; W284-H286 PolarHBondContact N-CE1 3.23Å
285	P	97.5	Very high	97.5	Very high	15 Å²	15	51 Å²	51	10%	0.097	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84.6	17	9.7	34.5	-38.1	0	0	0	115.9	L287	P285-L287 HydrophobicContact CB-CD1 4.11Å; P285-L287 HydrophobicContact CB-CG 4.01Å; P285-L287 HydrophobicContact CG-CD1 3.82Å; P285-L287 HydrophobicContact CG-CG 3.93Å; P285-L287 WeakPolarHBondContact O-CG 3.49Å; P285-L287 PolarHBondContact O-N 2.85Å; P285-L287 VanDerWaalsContact O-N 3.08Å
286	H	96.9	Very high	97.4	Very high	109 Å²	109	51.5 Å²	51.5	51%	0.505	25%	0.25	S	C	.	.			trans	62.4	15.5	176.3	-46	-65.9	0	0	0	115.4	G281 R282 F283 W284	G281-H286 WeakPolarHBondContact O-CA 3.39Å; G281-H286 PolarHBondContact O-ND1 3.04Å; R282-H286 PolarHBondContact O-CE1 3.46Å; R282-H286 PolarHBondContact O-ND1 2.86Å; F283-H286 VanDerWaalsContact C-CE1 3.47Å; F283-H286 VanDerWaalsContact C-ND1 3.33Å; F283-H286 VanDerWaalsContact O-CA 3.32Å; F283-H286 WeakPolarHBondContact O-CA 3.38Å; F283-H286 PolarHBondContact O-N 3.1Å; F283-H286 PolarHBondContact O-ND1 3.47Å; W284-H286 AromaticContact CD1-NE2 3.99Å; W284-H286 PolarHBondContact N-CE1 3.23Å
287	L	96.4	Very high	97.3	Very high	56 Å²	56	56.5 Å²	56.5	29%	0.293	27%	0.272	S	S	.	.			trans	-84.1	128.6	-172.5	-60.8	177.2	0	0	0	112.4	Q258 F262 Y278 P285 A289 S290	Q258-L287 HydrophobicContact CB-CD1 3.63Å; Q258-L287 HydrophobicContact CG-CD1 3.73Å; F262-L287 HydrophobicContact CZ-CD1 4.13Å; Y278-L287 WeakPolarHBondContact CE2-O 3.28Å; P285-L287 HydrophobicContact CB-CD1 4.11Å; P285-L287 HydrophobicContact CB-CG 4.01Å; P285-L287 HydrophobicContact CG-CD1 3.82Å; P285-L287 HydrophobicContact CG-CG 3.93Å; P285-L287 WeakPolarHBondContact O-CG 3.49Å; P285-L287 PolarHBondContact O-N 2.85Å; P285-L287 VanDerWaalsContact O-N 3.08Å; L287-A289 HydrophobicContact CB-CB 4.42Å; L287-A289 PolarHBondContact O-N 3.39Å; L287-A289 VanDerWaalsContact O-N 3.15Å; L287-S290 WeakPolarHBondContact O-CB 3.26Å; L287-S290 PolarHBondContact O-N 3.02Å; L287-S290 VanDerWaalsContact O-N 3.13Å; L287-S290 PolarHBondContact O-OG 2.97Å
288	K	96.1	Very high	97.2	Very high	182 Å²	182	58 Å²	58	79%	0.791	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-59.9	-23.6	168.3	-65.5	-175	179.2	-177.6	0	113.2	S290 N291	K288-S290 PolarHBondContact O-N 3.36Å; K288-N291 WeakPolarHBondContact O-CB 3.29Å; K288-N291 PolarHBondContact O-N 3.37Å
289	A	96.2	Very high	97	Very high	25 Å²	25	64.4 Å²	64.4	21%	0.207	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-64.9	-26.4	177.7	0	0	0	0	0	112.8	Q261 F262 L287 N291 T294 N306	Q261-A289 PolarHBondContact OE1-O 3.1Å; F262-A289 HydrophobicContact CE1-CB 3.96Å; F262-A289 HydrophobicContact CZ-CB 4.35Å; L287-A289 HydrophobicContact CB-CB 4.42Å; L287-A289 PolarHBondContact O-N 3.39Å; L287-A289 VanDerWaalsContact O-N 3.15Å; A289-N291 VanDerWaalsContact C-N 3.25Å; A289-N291 PolarHBondContact O-N 2.94Å; A289-T294 WeakPolarHBondContact O-CB 3.35Å; A289-T294 WeakPolarHBondContact O-CG2 3.07Å; A289-T294 PolarHBondContact O-OG1 3.02Å; A289-T294 VanDerWaalsContact O-OG1 3.1Å; A289-N306 PolarHBondContact O-ND2 3.09Å
290	S	98.2	Very high	97	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.014	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-75.3	-7.7	176.4	-48.6	0	0	0	0	113.9	H256 H276 L287 K288 N306	H256-S290 WeakPolarHBondContact CB-OG 3.25Å; H256-S290 PolarHBondContact CE1-OG 3.12Å; H256-S290 PolarHBondContact ND1-OG 3.49Å; H276-S290 PolarHBondContact CE1-O 3.09Å; H276-S290 VanDerWaalsContact CE1-O 3.29Å; H276-S290 PolarHBondContact NE2-O 3.28Å; L287-S290 WeakPolarHBondContact O-CB 3.26Å; L287-S290 PolarHBondContact O-N 3.02Å; L287-S290 VanDerWaalsContact O-N 3.13Å; L287-S290 PolarHBondContact O-OG 2.97Å; K288-S290 PolarHBondContact O-N 3.36Å; S290-N306 VanDerWaalsContact O-CB 3.28Å; S290-N306 WeakPolarHBondContact O-CB 3.48Å
291	N	98.3	Very high	97.1	Very high	26 Å²	26	60.4 Å²	60.4	14%	0.139	31%	0.305	C	S	.	.	S	Bend	trans	-72.1	151.5	179.3	-167	57.9	0	0	0	111.8	Y278 K288 A289 S293 T294	Y278-N291 HydrophobicContact CE1-CB 4.13Å; Y278-N291 WeakPolarHBondContact CE1-OD1 3.1Å; K288-N291 WeakPolarHBondContact O-CB 3.29Å; K288-N291 PolarHBondContact O-N 3.37Å; A289-N291 VanDerWaalsContact C-N 3.25Å; A289-N291 PolarHBondContact O-N 2.94Å; N291-S293 WeakPolarHBondContact ND2-CB 3.47Å; N291-S293 PolarHBondContact ND2-N 3.43Å; N291-S293 PolarHBondContact ND2-OG 2.93Å; N291-S293 PolarHBondContact O-N 2.8Å; N291-T294 PolarHBondContact O-N 2.91Å
292	W	97.5	Very high	97.2	Very high	82 Å²	82	59.6 Å²	59.6	31%	0.311	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-23	174.9	57.4	-101.2	0	0	0	114.6	T294 N306 P308 C426 A427 A430	W292-T294 VanDerWaalsContact C-N 3.26Å; W292-T294 PolarHBondContact O-N 2.82Å; W292-N306 WeakPolarHBondContact CA-O 3.32Å; W292-N306 WeakPolarHBondContact CB-O 2.99Å; W292-P308 HydrophobicContact CB-CG 4.13Å; W292-P308 HydrophobicContact CG-CG 4.36Å; W292-C426 HydrophobicContact CD2-CB 3.57Å; W292-C426 HydrophobicContact CE3-CB 4.07Å; W292-C426 HydrophobicContact CG-CB 3.75Å; W292-C426 HydrophobicContact CZ2-CB 4.19Å; W292-A427 HydrophobicContact CB-CB 4.34Å; W292-A430 HydrophobicContact CE3-CB 3.9Å; W292-A430 HydrophobicContact CZ3-CB 4.28Å; W292-A430 WeakPolarHBondContact O-CB 3.33Å
293	S	96.6	Very high	97.2	Very high	66 Å²	66	55.3 Å²	55.3	46%	0.462	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.4	178.2	58.9	0	0	0	0	114.1	N291	N291-S293 WeakPolarHBondContact ND2-CB 3.47Å; N291-S293 PolarHBondContact ND2-N 3.43Å; N291-S293 PolarHBondContact ND2-OG 2.93Å; N291-S293 PolarHBondContact O-N 2.8Å
294	T	97.6	Very high	97.3	Very high	36 Å²	36	54 Å²	54	22%	0.221	28%	0.275	C	S	.	.			trans	-94.2	108.1	176.4	-56.8	0	0	0	0	108.4	A289 N291 W292	A289-T294 WeakPolarHBondContact O-CB 3.35Å; A289-T294 WeakPolarHBondContact O-CG2 3.07Å; A289-T294 PolarHBondContact O-OG1 3.02Å; A289-T294 VanDerWaalsContact O-OG1 3.1Å; N291-T294 PolarHBondContact O-N 2.91Å; W292-T294 VanDerWaalsContact C-N 3.26Å; W292-T294 PolarHBondContact O-N 2.82Å
295	T	98	Very high	97.3	Very high	13 Å²	13	52.1 Å²	52.1	8%	0.08	27%	0.268	C	S	.	.			trans	-115.4	21.6	-174.8	53.4	0	0	0	0	113.1	Q301 G302 T304 A430 L431	T295-Q301 CarbonylContact O-C 3.56Å; T295-Q301 WeakPolarHBondContact O-CA 3.43Å; T295-G302 PolarHBondContact O-N 2.75Å; T295-T304 CarbonylContact C-O 3.49Å; T295-T304 VanDerWaalsContact CA-O 3.31Å; T295-T304 WeakPolarHBondContact CA-O 3.35Å; T295-A430 HydrophobicContact CG2-CB 3.98Å; T295-L431 HydrophobicContact CG2-CD2 3.89Å
296	G	96.8	Very high	97.4	Very high	10 Å²	10	51.5 Å²	51.5	10%	0.103	26%	0.264	C	S	.	.			trans	80.3	178.8	-167.7	0	0	0	0	0	112.9	D265	D265-G296 CarbonylContact O-C 3.56Å; D265-G296 WeakPolarHBondContact O-CA 3.48Å; D265-G296 VanDerWaalsContact OD1-CA 3.31Å; D265-G296 WeakPolarHBondContact OD1-CA 3.33Å
297	F	96.4	Very high	97.5	Very high	107 Å²	107	46.3 Å²	46.3	47%	0.469	24%	0.24	S	C	.	.			trans	-149.4	168.2	-178.1	63.1	-86	0	0	0	113.1	D265 Q266 Q299 G300	D265-F297 HydrophobicContact CB-CD1 3.95Å; D265-F297 HydrophobicContact CB-CE1 3.63Å; D265-F297 PolarHBondContact O-N 3.43Å; Q266-F297 WeakPolarHBondContact CA-O 3.4Å; Q266-F297 HydrophobicContact CG-CD1 4.43Å; Q266-F297 HydrophobicContact CG-CD2 3.59Å; Q266-F297 HydrophobicContact CG-CE1 4.2Å; Q266-F297 HydrophobicContact CG-CE2 3.3Å; Q266-F297 HydrophobicContact CG-CG 4.16Å; Q266-F297 HydrophobicContact CG-CZ 3.64Å; F297-Q299 PolarHBondContact O-N 3.48Å; F297-Q299 VanDerWaalsContact O-N 3.11Å; F297-G300 PolarHBondContact O-N 3.15Å
298	G	96.8	Very high	97.6	Very high	51 Å²	51	43.6 Å²	43.6	53%	0.526	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	-111	179.4	0	0	0	0	0	112.3
299	Q	95.3	Very high	97.7	Very high	154 Å²	154	35 Å²	35	72%	0.72	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-18.2	173.8	-62.5	-63	-88.2	0	0	113	P268 F297 Q301	P268-Q299 WeakPolarHBondContact CB-O 3.36Å; P268-Q299 WeakPolarHBondContact CD-O 3.33Å; P268-Q299 HydrophobicContact CG-CB 4.14Å; P268-Q299 WeakPolarHBondContact CG-O 3.27Å; F297-Q299 PolarHBondContact O-N 3.48Å; F297-Q299 VanDerWaalsContact O-N 3.11Å; Q299-Q301 VanDerWaalsContact C-N 3.28Å; Q299-Q301 PolarHBondContact O-N 3.47Å
300	G	96.9	Very high	97.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.			trans	-86	6.3	177.2	0	0	0	0	0	113.9	Q266 F297 G302 Y303	Q266-G300 VanDerWaalsContact C-CA 3.47Å; Q266-G300 VanDerWaalsContact C-N 3.28Å; Q266-G300 PolarHBondContact O-N 3.28Å; Q266-G300 VanDerWaalsContact O-N 3.11Å; F297-G300 PolarHBondContact O-N 3.15Å; G300-G302 PolarHBondContact O-N 2.88Å; G300-Y303 WeakPolarHBondContact O-CB 3.5Å; G300-Y303 PolarHBondContact O-N 3.26Å
301	Q	97.9	Very high	97.8	Very high	94 Å²	94	40.4 Å²	40.4	44%	0.439	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	124.1	178.1	-163.3	176.6	12.6	0	0	110.6	T295 Q299 F434	T295-Q301 CarbonylContact O-C 3.56Å; T295-Q301 WeakPolarHBondContact O-CA 3.43Å; Q299-Q301 VanDerWaalsContact C-N 3.28Å; Q299-Q301 PolarHBondContact O-N 3.47Å; Q301-F434 HydrophobicContact CB-CE1 4.43Å; Q301-F434 HydrophobicContact CG-CE1 3.7Å; Q301-F434 HydrophobicContact CG-CE2 4.41Å; Q301-F434 HydrophobicContact CG-CZ 3.63Å
302	G	97.9	Very high	97.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.1	-15.6	-168	0	0	0	0	0	114.5	T295 G300 W435	T295-G302 PolarHBondContact O-N 2.75Å; G300-G302 PolarHBondContact O-N 2.88Å; G302-W435 WeakPolarHBondContact O-CZ2 3.36Å; G302-W435 PolarHBondContact O-NE1 3.14Å
303	Y	98.7	Very high	97.7	Very high	65 Å²	65	39.9 Å²	39.9	26%	0.255	22%	0.224	S	C	.	.	S	Bend	trans	-103.4	1.2	-171.5	-64.4	-102	0	0	0	114.3	P268 L271 Y272 G300 F334 W435	P268-Y303 HydrophobicContact CB-CD1 4.01Å; P268-Y303 HydrophobicContact CB-CD2 3.78Å; P268-Y303 HydrophobicContact CB-CE1 3.81Å; P268-Y303 HydrophobicContact CB-CE2 3.6Å; P268-Y303 HydrophobicContact CB-CG 4Å; P268-Y303 WeakPolarHBondContact O-CE1 3.46Å; L271-Y303 WeakPolarHBondContact CA-O 3.24Å; Y272-Y303 PolarHBondContact N-O 2.96Å; G300-Y303 WeakPolarHBondContact O-CB 3.5Å; G300-Y303 PolarHBondContact O-N 3.26Å; Y303-F334 HydrophobicContact CD1-CD2 4.21Å; Y303-F334 AromaticContact CD1-CE2 3.93Å; Y303-F334 HydrophobicContact CD1-CE2 3.93Å; Y303-F334 AromaticContact CE1-CD2 3.81Å; Y303-F334 HydrophobicContact CE1-CD2 3.81Å; Y303-F334 AromaticContact CE1-CE2 3.73Å; Y303-F334 HydrophobicContact CE1-CE2 3.73Å; Y303-W435 HydrophobicContact CD1-CH2 4.18Å; Y303-W435 HydrophobicContact CD1-CZ2 4.17Å; Y303-W435 AromaticContact CE1-CH2 3.82Å; Y303-W435 HydrophobicContact CE1-CH2 3.82Å; Y303-W435 HydrophobicContact CE1-CZ2 4.16Å; Y303-W435 HydrophobicContact CG-CZ2 4.47Å
304	T	98.8	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.8	161.8	-81.6	0	0	0	0	108.6	Q261 D265 Y272 T295	Q261-T304 HydrophobicContact CG-CG2 3.57Å; D265-T304 PolarHBondContact OD1-OG1 3.22Å; Y272-T304 HydrophobicContact CD1-CG2 4.3Å; Y272-T304 CarbonylContact O-C 3.33Å; Y272-T304 WeakPolarHBondContact O-CA 3.11Å; T295-T304 CarbonylContact C-O 3.49Å; T295-T304 VanDerWaalsContact CA-O 3.31Å; T295-T304 WeakPolarHBondContact CA-O 3.35Å
305	I	98.8	Very high	97.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.2	-178.6	-59.2	177.9	0	0	0	109.6	L271 Y272 F273 S274 V307 V326 V330 L431	L271-I305 HydrophobicContact CD1-CD1 3.93Å; L271-I305 HydrophobicContact CD1-CG1 4.32Å; Y272-I305 PolarHBondContact O-N 3.43Å; F273-I305 CarbonylContact C-O 3.5Å; F273-I305 WeakPolarHBondContact CA-O 3.43Å; F273-I305 HydrophobicContact CB-CB 4.32Å; F273-I305 HydrophobicContact CD2-CB 3.78Å; F273-I305 HydrophobicContact CD2-CD1 4.29Å; F273-I305 HydrophobicContact CD2-CG2 3.36Å; F273-I305 HydrophobicContact CE2-CG2 3.77Å; F273-I305 HydrophobicContact CG-CB 4.46Å; F273-I305 HydrophobicContact CG-CG2 4.39Å; S274-I305 PolarHBondContact N-O 2.97Å; I305-V307 HydrophobicContact CG2-CG2 4.42Å; I305-V326 HydrophobicContact CG2-CG1 3.87Å; I305-V330 HydrophobicContact CD1-CB 4.38Å; I305-V330 HydrophobicContact CD1-CG1 3.93Å; I305-V330 HydrophobicContact CD1-CG2 4.39Å; I305-L431 HydrophobicContact CB-CD1 4.17Å; I305-L431 HydrophobicContact CD1-CD1 3.84Å; I305-L431 HydrophobicContact CD1-CD2 4.49Å; I305-L431 HydrophobicContact CG1-CD1 3.67Å; I305-L431 HydrophobicContact CG1-CD2 3.9Å; I305-L431 HydrophobicContact CG1-CG 4.45Å; I305-L431 HydrophobicContact CG2-CD1 3.64Å
306	N	98.9	Very high	97.7	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.011	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.7	175.6	-77.1	-41.5	0	0	0	111.1	H256 Q261 A289 S290 W292 P308	H256-N306 PolarHBondContact CD2-OD1 3.11Å; Q261-N306 PolarHBondContact OE1-ND2 2.74Å; A289-N306 PolarHBondContact O-ND2 3.09Å; S290-N306 VanDerWaalsContact O-CB 3.28Å; S290-N306 WeakPolarHBondContact O-CB 3.48Å; W292-N306 WeakPolarHBondContact CA-O 3.32Å; W292-N306 WeakPolarHBondContact CB-O 2.99Å; N306-P308 VanDerWaalsContact C-CD 3.45Å; N306-P308 VanDerWaalsContact O-CD 3.25Å; N306-P308 WeakPolarHBondContact O-CD 3.19Å
307	V	98.8	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	81.7	171.8	-171.6	0	0	0	0	108.8	F273 S274 I275 H276 I305 W309 A322 V424 A427	F273-V307 HydrophobicContact CE2-CG2 3.88Å; F273-V307 HydrophobicContact CZ-CG2 4.07Å; S274-V307 PolarHBondContact O-N 2.9Å; I275-V307 HydrophobicContact CG1-CB 4.18Å; I275-V307 HydrophobicContact CG2-CB 4.42Å; H276-V307 PolarHBondContact N-O 2.95Å; I305-V307 HydrophobicContact CG2-CG2 4.42Å; V307-W309 HydrophobicContact CG1-CE3 4.16Å; V307-W309 HydrophobicContact CG1-CH2 3.9Å; V307-W309 HydrophobicContact CG1-CZ3 3.63Å; V307-W309 PolarHBondContact O-N 3.21Å; V307-A322 HydrophobicContact CG1-CB 4.09Å; V307-V424 HydrophobicContact CG1-CG2 4.09Å; V307-A427 HydrophobicContact CG2-CB 4.22Å
308	P	98.6	Very high	97.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	119	-174	29	-35.2	0	0	0	112	Y278 W292 N306 N310 S423	Y278-P308 VanDerWaalsContact CB-CB 3.42Å; Y278-P308 HydrophobicContact CD1-CB 3.55Å; Y278-P308 HydrophobicContact CD1-CG 4.28Å; Y278-P308 HydrophobicContact CD2-CB 4.45Å; Y278-P308 HydrophobicContact CE1-CB 4.42Å; Y278-P308 HydrophobicContact CG-CB 3.57Å; W292-P308 HydrophobicContact CB-CG 4.13Å; W292-P308 HydrophobicContact CG-CG 4.36Å; N306-P308 VanDerWaalsContact C-CD 3.45Å; N306-P308 VanDerWaalsContact O-CD 3.25Å; N306-P308 WeakPolarHBondContact O-CD 3.19Å; P308-N310 PolarHBondContact O-N 3.33Å; P308-N310 PolarHBondContact O-ND2 3.44Å; P308-N310 VanDerWaalsContact O-ND2 3.14Å; P308-S423 VanDerWaalsContact O-CB 3.27Å; P308-S423 WeakPolarHBondContact O-CB 3.26Å; P308-S423 PolarHBondContact O-OG 3.25Å
309	W	98.7	Very high	97.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	116.4	172.5	-65.9	154.6	0	0	0	111.6	I275 H276 Y278 E279 V307 M314 D318 Y319 A322 M356 A420 V424	I275-W309 HydrophobicContact CG2-CD2 4.05Å; I275-W309 HydrophobicContact CG2-CG 4.47Å; I275-W309 HydrophobicContact CG2-CH2 4.31Å; I275-W309 HydrophobicContact CG2-CZ2 3.47Å; I275-W309 VanDerWaalsContact CG2-CZ2 3.47Å; I275-W309 VanDerWaalsContact CG2-NE1 3.26Å; H276-W309 PolarHBondContact O-N 2.83Å; Y278-W309 PolarHBondContact N-O 2.82Å; E279-W309 PolarHBondContact N-O 2.62Å; V307-W309 HydrophobicContact CG1-CE3 4.16Å; V307-W309 HydrophobicContact CG1-CH2 3.9Å; V307-W309 HydrophobicContact CG1-CZ3 3.63Å; V307-W309 PolarHBondContact O-N 3.21Å; W309-M314 HydrophobicContact CB-CE 3.79Å; W309-M314 HydrophobicContact CB-CG 4.1Å; W309-M314 HydrophobicContact CD2-CE 3.96Å; W309-M314 HydrophobicContact CD2-CG 4.03Å; W309-M314 HydrophobicContact CD2-SD 4.36Å; W309-M314 HydrophobicContact CE3-CE 3.98Å; W309-M314 HydrophobicContact CG-CE 3.94Å; W309-M314 HydrophobicContact CG-CG 3.7Å; W309-M314 HydrophobicContact CG-SD 4.48Å; W309-D318 HydrophobicContact CH2-CB 4.35Å; W309-D318 WeakPolarHBondContact CH2-O 3.43Å; W309-D318 HydrophobicContact CZ2-CB 4.13Å; W309-Y319 AromaticContact CD1-CZ 3.95Å; W309-Y319 HydrophobicContact CZ2-CD2 4.48Å; W309-Y319 HydrophobicContact CZ2-CG 4.49Å; W309-Y319 AromaticContact NE1-CE1 3.74Å; W309-Y319 AromaticContact NE1-CE2 3.45Å; W309-Y319 AromaticContact NE1-CZ 3.24Å; W309-Y319 PolarHBondContact NE1-OH 3.33Å; W309-A322 HydrophobicContact CH2-CB 4.03Å; W309-A322 HydrophobicContact CZ2-CB 4.45Å; W309-M356 HydrophobicContact CB-CE 4.12Å; W309-A420 HydrophobicContact CE3-CB 4.22Å; W309-A420 HydrophobicContact CH2-CB 3.86Å; W309-A420 HydrophobicContact CZ3-CB 3.6Å; W309-V424 HydrophobicContact CH2-CG2 4.18Å; W309-V424 HydrophobicContact CZ3-CG2 4.17Å
310	N	98.3	Very high	97.9	Very high	32 Å²	32	23.8 Å²	23.8	17%	0.171	12%	0.122	C	C	.	.	S	Bend	trans	-92.9	3.5	-176.7	-72.2	-67.4	0	0	0	114	Q280 P308 S423	Q280-N310 WeakPolarHBondContact CG-OD1 3.35Å; Q280-N310 PolarHBondContact N-OD1 2.73Å; P308-N310 PolarHBondContact O-N 3.33Å; P308-N310 PolarHBondContact O-ND2 3.44Å; P308-N310 VanDerWaalsContact O-ND2 3.14Å; N310-S423 PolarHBondContact ND2-OG 3.04Å; N310-S423 VanDerWaalsContact ND2-OG 3.09Å
311	Q	97.5	Very high	98	Very high	110 Å²	110	24.1 Å²	24.1	51%	0.514	12%	0.124	S	C	.	.	S	Bend	trans	-140.1	160.6	172.1	-68.6	-178.5	-3.8	0	0	109.1	M314 S419	Q311-M314 HydrophobicContact CB-CE 4.2Å; Q311-S419 VanDerWaalsContact CD-CB 3.46Å
312	V	97.8	Very high	98	Very high	61 Å²	61	19.6 Å²	19.6	37%	0.37	10%	0.103	S	C	.	.	S	Bend	trans	-87.5	172.5	170.3	-66.9	0	0	0	0	110.8	R277 E355	R277-V312 VanDerWaalsContact CZ-CG1 3.44Å; V312-E355 HydrophobicContact CB-CB 4.03Å; V312-E355 HydrophobicContact CG1-CB 3.87Å
313	G	96.6	Very high	98.1	Very high	35 Å²	35	19.6 Å²	19.6	36%	0.361	10%	0.103	S	C	.	.			trans	74.6	21.8	177.2	0	0	0	0	0	115.4	E355	G313-E355 PolarHBondContact N-O 3.15Å
314	M	97.6	Very high	98	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	9%	0.092	C	C	.	.			trans	-63.5	136.4	174.4	-60.1	-64.8	-170	0	0	110.7	W309 Q311 D318 Y319 M356 A357 A358 A420	W309-M314 HydrophobicContact CB-CE 3.79Å; W309-M314 HydrophobicContact CB-CG 4.1Å; W309-M314 HydrophobicContact CD2-CE 3.96Å; W309-M314 HydrophobicContact CD2-CG 4.03Å; W309-M314 HydrophobicContact CD2-SD 4.36Å; W309-M314 HydrophobicContact CE3-CE 3.98Å; W309-M314 HydrophobicContact CG-CE 3.94Å; W309-M314 HydrophobicContact CG-CG 3.7Å; W309-M314 HydrophobicContact CG-SD 4.48Å; Q311-M314 HydrophobicContact CB-CE 4.2Å; M314-D318 HydrophobicContact CB-CB 4.05Å; M314-D318 HydrophobicContact SD-CB 4.16Å; M314-Y319 HydrophobicContact CB-CE2 3.91Å; M314-M356 HydrophobicContact CB-SD 3.62Å; M314-M356 HydrophobicContact CG-CE 4.31Å; M314-M356 HydrophobicContact CG-SD 3.67Å; M314-M356 PolarHBondContact N-SD 3.27Å; M314-M356 VanDerWaalsContact N-SD 3.43Å; M314-A357 CarbonylContact O-C 3.58Å; M314-A357 VanDerWaalsContact O-C 3.23Å; M314-A357 WeakPolarHBondContact O-CA 3.38Å; M314-A357 PolarHBondContact O-N 3.27Å; M314-A358 PolarHBondContact O-N 2.84Å; M314-A358 VanDerWaalsContact O-N 3.16Å; M314-A420 HydrophobicContact CE-CB 4.31Å; M314-A420 HydrophobicContact SD-CB 4Å
315	R	96.5	Very high	97.9	Very high	78 Å²	78	17.2 Å²	17.2	29%	0.294	9%	0.094	S	C	.	.	B	Isolated β-bridge	trans	-108.7	177.7	-173.3	-59.4	-178.9	-62.4	-162.1	1.7	111.7	A317 D318 Y319 A357	R315-A317 PolarHBondContact O-N 3.32Å; R315-A317 VanDerWaalsContact O-N 3.14Å; R315-D318 PolarHBondContact N-OD2 3.27Å; R315-D318 WeakPolarHBondContact O-CB 3.2Å; R315-D318 PolarHBondContact O-N 2.81Å; R315-Y319 PolarHBondContact O-N 2.97Å; R315-A357 HydrophobicContact CG-CB 4.01Å
316	D	97.3	Very high	97.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-47.5	-45.4	178.3	-54	-37.8	0	0	0	112.6	D318 Y319 I320 T359 G362 L410 S412	D316-D318 VanDerWaalsContact C-N 3.29Å; D316-D318 PolarHBondContact O-N 2.98Å; D316-Y319 PolarHBondContact O-N 3.15Å; D316-I320 HydrophobicContact CB-CD1 4.41Å; D316-I320 WeakPolarHBondContact O-CB 3.09Å; D316-I320 VanDerWaalsContact O-CG1 3.24Å; D316-I320 WeakPolarHBondContact O-CG1 3.23Å; D316-I320 PolarHBondContact O-N 3.03Å; D316-T359 PolarHBondContact OD1-N 2.95Å; D316-T359 PolarHBondContact OD1-OG1 3.16Å; D316-T359 WeakPolarHBondContact OD2-CG2 3.23Å; D316-T359 PolarHBondContact OD2-OG1 3.39Å; D316-G362 WeakPolarHBondContact OD1-CA 3.44Å; D316-L410 HydrophobicContact CB-CD2 3.94Å; D316-S412 VanDerWaalsContact CG-OG 3.3Å; D316-S412 PolarHBondContact OD2-OG 2.71Å
317	A	96.6	Very high	97.9	Very high	9 Å²	9	17 Å²	17	7%	0.074	9%	0.093	C	C	.	.	H	α-helix	trans	-64.9	-26.2	-179.6	0	0	0	0	0	114.3	R315 A321 G414	R315-A317 PolarHBondContact O-N 3.32Å; R315-A317 VanDerWaalsContact O-N 3.14Å; A317-A321 VanDerWaalsContact O-CB 3.24Å; A317-A321 WeakPolarHBondContact O-CB 3.33Å; A317-A321 PolarHBondContact O-N 2.87Å; A317-G414 WeakPolarHBondContact CB-O 3.36Å
318	D	98.1	Very high	97.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-73.3	-46.9	176.9	-60.1	-73.3	0	0	0	110.8	W309 M314 R315 D316 A321 A322 P416 C417 A420	W309-D318 HydrophobicContact CH2-CB 4.35Å; W309-D318 WeakPolarHBondContact CH2-O 3.43Å; W309-D318 HydrophobicContact CZ2-CB 4.13Å; M314-D318 HydrophobicContact CB-CB 4.05Å; M314-D318 HydrophobicContact SD-CB 4.16Å; R315-D318 PolarHBondContact N-OD2 3.27Å; R315-D318 WeakPolarHBondContact O-CB 3.2Å; R315-D318 PolarHBondContact O-N 2.81Å; D316-D318 VanDerWaalsContact C-N 3.29Å; D316-D318 PolarHBondContact O-N 2.98Å; D318-A321 PolarHBondContact O-N 3.16Å; D318-A322 PolarHBondContact O-N 3.07Å; D318-P416 WeakPolarHBondContact OD1-CA 3.31Å; D318-C417 PolarHBondContact OD1-N 2.98Å; D318-C417 PolarHBondContact OD1-SG 2.83Å; D318-A420 HydrophobicContact CB-CB 3.73Å; D318-A420 WeakPolarHBondContact OD1-CB 3.24Å
319	Y	98.6	Very high	97.8	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-66.6	-43.5	175.8	-75	-98.6	0	0	0	111.9	I275 W309 M314 R315 D316 A321 A322 F323 A347 A358 L366	I275-Y319 HydrophobicContact CB-CD1 4.46Å; I275-Y319 HydrophobicContact CB-CE1 4.27Å; I275-Y319 HydrophobicContact CD1-CD1 4.1Å; I275-Y319 HydrophobicContact CG2-CD1 4.04Å; I275-Y319 HydrophobicContact CG2-CE1 3.8Å; W309-Y319 AromaticContact CD1-CZ 3.95Å; W309-Y319 HydrophobicContact CZ2-CD2 4.48Å; W309-Y319 HydrophobicContact CZ2-CG 4.49Å; W309-Y319 AromaticContact NE1-CE1 3.74Å; W309-Y319 AromaticContact NE1-CE2 3.45Å; W309-Y319 AromaticContact NE1-CZ 3.24Å; W309-Y319 PolarHBondContact NE1-OH 3.33Å; M314-Y319 HydrophobicContact CB-CE2 3.91Å; R315-Y319 PolarHBondContact O-N 2.97Å; D316-Y319 PolarHBondContact O-N 3.15Å; Y319-A321 VanDerWaalsContact C-N 3.32Å; Y319-A321 PolarHBondContact O-N 3.35Å; Y319-A322 PolarHBondContact O-N 3.19Å; Y319-F323 WeakPolarHBondContact O-CD2 3.27Å; Y319-F323 PolarHBondContact O-N 3.08Å; Y319-A347 HydrophobicContact CE1-CB 4.24Å; Y319-A347 VanDerWaalsContact OH-CB 3.24Å; Y319-A347 WeakPolarHBondContact OH-CB 3.27Å; Y319-A358 HydrophobicContact CD2-CB 4.35Å; Y319-A358 HydrophobicContact CE2-CB 4.34Å; Y319-L366 HydrophobicContact CD1-CD1 4.36Å
320	I	98.2	Very high	97.7	Very high	5 Å²	5	17.4 Å²	17.4	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-62	-39.6	176	-70.2	167.8	0	0	0	110.8	D316 A322 F323 L324 Q365 L366 L410 Y728	D316-I320 HydrophobicContact CB-CD1 4.41Å; D316-I320 WeakPolarHBondContact O-CB 3.09Å; D316-I320 VanDerWaalsContact O-CG1 3.24Å; D316-I320 WeakPolarHBondContact O-CG1 3.23Å; D316-I320 PolarHBondContact O-N 3.03Å; I320-A322 PolarHBondContact O-N 3.35Å; I320-F323 PolarHBondContact O-N 2.91Å; I320-L324 HydrophobicContact CG2-CD1 3.61Å; I320-L324 HydrophobicContact CG2-CG 4Å; I320-L324 WeakPolarHBondContact O-CB 3.24Å; I320-L324 VanDerWaalsContact O-CG 3.27Å; I320-L324 WeakPolarHBondContact O-CG 3.41Å; I320-L324 PolarHBondContact O-N 3.46Å; I320-Q365 HydrophobicContact CD1-CB 4.25Å; I320-Q365 HydrophobicContact CD1-CG 4.43Å; I320-L366 HydrophobicContact CG1-CD2 4.2Å; I320-L410 HydrophobicContact CD1-CD1 3.73Å; I320-L410 HydrophobicContact CD1-CD2 4.35Å; I320-Y728 HydrophobicContact CD1-CD1 4.08Å; I320-Y728 HydrophobicContact CD1-CE1 4.08Å; I320-Y728 HydrophobicContact CG2-CD1 4.46Å; I320-Y728 HydrophobicContact CG2-CD2 3.7Å; I320-Y728 HydrophobicContact CG2-CE2 3.9Å; I320-Y728 HydrophobicContact CG2-CG 4Å
321	A	97.9	Very high	97.7	Very high	6 Å²	6	15.9 Å²	15.9	5%	0.05	9%	0.087	C	C	.	.	H	α-helix	trans	-63.2	-39.5	176.1	0	0	0	0	0	112.9	A317 D318 Y319 H325 P416	A317-A321 VanDerWaalsContact O-CB 3.24Å; A317-A321 WeakPolarHBondContact O-CB 3.33Å; A317-A321 PolarHBondContact O-N 2.87Å; D318-A321 PolarHBondContact O-N 3.16Å; Y319-A321 VanDerWaalsContact C-N 3.32Å; Y319-A321 PolarHBondContact O-N 3.35Å; A321-H325 VanDerWaalsContact O-CB 3.31Å; A321-H325 WeakPolarHBondContact O-CB 3.38Å; A321-H325 PolarHBondContact O-CD2 2.89Å; A321-H325 VanDerWaalsContact O-CD2 3.25Å; A321-H325 PolarHBondContact O-N 3.33Å; A321-P416 HydrophobicContact CB-CB 3.79Å; A321-P416 HydrophobicContact CB-CG 3.66Å
322	A	98.5	Very high	97.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.1	-41	173.4	0	0	0	0	0	112.1	I275 V307 W309 D318 Y319 I320 V326 L327 V424	I275-A322 HydrophobicContact CD1-CB 3.64Å; I275-A322 HydrophobicContact CG1-CB 4.39Å; V307-A322 HydrophobicContact CG1-CB 4.09Å; W309-A322 HydrophobicContact CH2-CB 4.03Å; W309-A322 HydrophobicContact CZ2-CB 4.45Å; D318-A322 PolarHBondContact O-N 3.07Å; Y319-A322 PolarHBondContact O-N 3.19Å; I320-A322 PolarHBondContact O-N 3.35Å; A322-V326 WeakPolarHBondContact O-CB 3.4Å; A322-V326 PolarHBondContact O-N 2.67Å; A322-L327 PolarHBondContact O-N 2.87Å; A322-V424 HydrophobicContact CB-CG2 3.99Å
323	F	98.8	Very high	97.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-63.5	-50.1	176.4	-92	-127.3	0	0	0	112.1	V250 W252 F273 I275 Y319 I320 L327 L328 L366 L369 L370	V250-F323 HydrophobicContact CG1-CZ 3.95Å; W252-F323 HydrophobicContact CE3-CZ 4.28Å; F273-F323 HydrophobicContact CE1-CD2 4.43Å; F273-F323 HydrophobicContact CE1-CE2 4.12Å; I275-F323 HydrophobicContact CD1-CD2 3.76Å; I275-F323 HydrophobicContact CD1-CE2 3.67Å; Y319-F323 WeakPolarHBondContact O-CD2 3.27Å; Y319-F323 PolarHBondContact O-N 3.08Å; I320-F323 PolarHBondContact O-N 2.91Å; F323-L327 HydrophobicContact CD1-CD2 3.99Å; F323-L327 HydrophobicContact CD2-CD2 4.21Å; F323-L327 HydrophobicContact CE1-CD2 3.82Å; F323-L327 HydrophobicContact CE2-CD2 4.04Å; F323-L327 HydrophobicContact CG-CD2 4.18Å; F323-L327 HydrophobicContact CZ-CD2 3.83Å; F323-L327 PolarHBondContact O-N 3.39Å; F323-L328 WeakPolarHBondContact O-CG 3.4Å; F323-L328 PolarHBondContact O-N 3.37Å; F323-L366 HydrophobicContact CD1-CB 4.44Å; F323-L366 HydrophobicContact CD1-CD2 3.84Å; F323-L366 HydrophobicContact CD2-CD2 3.86Å; F323-L366 HydrophobicContact CE1-CB 3.81Å; F323-L366 HydrophobicContact CE1-CD2 3.93Å; F323-L366 HydrophobicContact CE1-CG 4.31Å; F323-L366 HydrophobicContact CE2-CD1 4.11Å; F323-L366 HydrophobicContact CE2-CD2 3.97Å; F323-L366 HydrophobicContact CE2-CG 4.47Å; F323-L366 HydrophobicContact CG-CD2 3.81Å; F323-L366 HydrophobicContact CZ-CB 3.97Å; F323-L366 HydrophobicContact CZ-CD1 4.06Å; F323-L366 HydrophobicContact CZ-CD2 4.01Å; F323-L366 HydrophobicContact CZ-CG 4.21Å; F323-L369 HydrophobicContact CB-CD1 4.17Å; F323-L369 HydrophobicContact CD1-CB 4.27Å; F323-L369 HydrophobicContact CD1-CD1 4.14Å; F323-L370 HydrophobicContact CE1-CD1 4.24Å; F323-L370 HydrophobicContact CE1-CD2 3.97Å; F323-L370 HydrophobicContact CE1-CG 3.95Å
324	L	97.9	Very high	97.5	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.01	5%	0.047	C	C	.	.	I	π-helix	trans	-68	-42.8	-177.6	-67.3	177.3	0	0	0	112.4	I320 L328 P329 H720 L724 P725 Y728	I320-L324 HydrophobicContact CG2-CD1 3.61Å; I320-L324 HydrophobicContact CG2-CG 4Å; I320-L324 WeakPolarHBondContact O-CB 3.24Å; I320-L324 VanDerWaalsContact O-CG 3.27Å; I320-L324 WeakPolarHBondContact O-CG 3.41Å; I320-L324 PolarHBondContact O-N 3.46Å; L324-L328 HydrophobicContact CD2-CD1 4.12Å; L324-P329 VanDerWaalsContact O-CD 3.26Å; L324-P329 WeakPolarHBondContact O-CD 3.33Å; L324-P329 WeakPolarHBondContact O-CG 3.37Å; L324-H720 WeakPolarHBondContact O-CB 3.15Å; L324-L724 HydrophobicContact CD1-CB 3.86Å; L324-L724 HydrophobicContact CD2-CB 3.81Å; L324-L724 HydrophobicContact CD2-CD1 3.55Å; L324-L724 HydrophobicContact CD2-CG 4.35Å; L324-P725 HydrophobicContact CD1-CG 4.07Å; L324-Y728 HydrophobicContact CD1-CD2 3.86Å; L324-Y728 HydrophobicContact CD1-CE2 4.12Å
325	H	97	Very high	97.4	Very high	12 Å²	12	11.9 Å²	11.9	6%	0.056	6%	0.055	C	C	.	.	I	π-helix	trans	-88	-28.6	-173.9	-63.3	-44.2	0	0	0	114.4	A321 V424 L428 H720	A321-H325 VanDerWaalsContact O-CB 3.31Å; A321-H325 WeakPolarHBondContact O-CB 3.38Å; A321-H325 PolarHBondContact O-CD2 2.89Å; A321-H325 VanDerWaalsContact O-CD2 3.25Å; A321-H325 PolarHBondContact O-N 3.33Å; H325-V424 HydrophobicContact CB-CG1 4Å; H325-L428 HydrophobicContact CB-CD1 4.47Å; H325-L428 WeakPolarHBondContact O-CD2 3.22Å; H325-H720 PolarHBondContact ND1-O 3.49Å
326	V	98.2	Very high	97.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	I	π-helix	trans	-113.5	-61.9	-176	-169.5	0	0	0	0	111.6	F273 I305 A322 V330 V424 L428 L431	F273-V326 HydrophobicContact CE2-CB 4.21Å; F273-V326 HydrophobicContact CE2-CG1 4.05Å; I305-V326 HydrophobicContact CG2-CG1 3.87Å; A322-V326 WeakPolarHBondContact O-CB 3.4Å; A322-V326 PolarHBondContact O-N 2.67Å; V326-V330 WeakPolarHBondContact O-CB 3.43Å; V326-V330 WeakPolarHBondContact O-CG2 3.22Å; V326-V330 PolarHBondContact O-N 2.74Å; V326-V424 HydrophobicContact CG2-CG1 3.95Å; V326-L428 HydrophobicContact CG2-CD2 4.17Å; V326-L428 HydrophobicContact CG2-CG 4.07Å; V326-L431 HydrophobicContact CG1-CD1 3.8Å
327	L	98.7	Very high	97.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-66.4	-56.6	-167.4	180	54.4	0	0	0	113.2	L248 V250 F273 A322 F323 V330 A331 L370	L248-L327 HydrophobicContact CD1-CD1 4.04Å; L248-L327 HydrophobicContact CD2-CD1 4.24Å; V250-L327 HydrophobicContact CG1-CD2 3.92Å; V250-L327 HydrophobicContact CG2-CD1 4.43Å; V250-L327 HydrophobicContact CG2-CD2 3.97Å; F273-L327 HydrophobicContact CB-CD1 3.94Å; F273-L327 HydrophobicContact CD1-CB 4.47Å; F273-L327 HydrophobicContact CD1-CD1 4.03Å; F273-L327 HydrophobicContact CD1-CD2 3.85Å; F273-L327 HydrophobicContact CD1-CG 4.33Å; F273-L327 HydrophobicContact CD2-CB 4.1Å; F273-L327 HydrophobicContact CD2-CD1 3.9Å; F273-L327 HydrophobicContact CD2-CG 4.46Å; F273-L327 HydrophobicContact CE1-CB 4.1Å; F273-L327 HydrophobicContact CE1-CD1 4.5Å; F273-L327 HydrophobicContact CE1-CD2 3.77Å; F273-L327 HydrophobicContact CE1-CG 4.34Å; F273-L327 HydrophobicContact CE2-CB 3.76Å; F273-L327 HydrophobicContact CE2-CD1 4.44Å; F273-L327 HydrophobicContact CG-CB 4.47Å; F273-L327 HydrophobicContact CG-CD1 3.71Å; F273-L327 HydrophobicContact CG-CD2 4.37Å; F273-L327 HydrophobicContact CG-CG 4.39Å; F273-L327 HydrophobicContact CZ-CB 3.76Å; F273-L327 HydrophobicContact CZ-CD2 4.3Å; F273-L327 HydrophobicContact CZ-CG 4.47Å; A322-L327 PolarHBondContact O-N 2.87Å; F323-L327 HydrophobicContact CD1-CD2 3.99Å; F323-L327 HydrophobicContact CD2-CD2 4.21Å; F323-L327 HydrophobicContact CE1-CD2 3.82Å; F323-L327 HydrophobicContact CE2-CD2 4.04Å; F323-L327 HydrophobicContact CG-CD2 4.18Å; F323-L327 HydrophobicContact CZ-CD2 3.83Å; F323-L327 PolarHBondContact O-N 3.39Å; L327-V330 PolarHBondContact O-N 3.09Å; L327-A331 HydrophobicContact CD1-CB 4.44Å; L327-A331 WeakPolarHBondContact O-CB 3.48Å; L327-A331 PolarHBondContact O-N 3.38Å; L327-L370 HydrophobicContact CD2-CD2 3.88Å
328	L	98.1	Very high	97.6	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.01	6%	0.055	C	C	.	.	H	α-helix	trans	-64.9	-42.5	-172.5	-62.3	175.5	0	0	0	113.2	F323 L324 V330 A331 L332 L369 L373 L765	F323-L328 WeakPolarHBondContact O-CG 3.4Å; F323-L328 PolarHBondContact O-N 3.37Å; L324-L328 HydrophobicContact CD2-CD1 4.12Å; L328-V330 PolarHBondContact O-N 2.83Å; L328-A331 PolarHBondContact O-N 3.36Å; L328-L332 WeakPolarHBondContact O-CB 3.36Å; L328-L332 WeakPolarHBondContact O-CD1 3.4Å; L328-L332 VanDerWaalsContact O-CG 3.31Å; L328-L332 WeakPolarHBondContact O-CG 3.44Å; L328-L332 PolarHBondContact O-N 3.33Å; L328-L369 HydrophobicContact CD1-CB 4.05Å; L328-L369 HydrophobicContact CD1-CD1 4.28Å; L328-L369 HydrophobicContact CD1-CD2 3.9Å; L328-L369 HydrophobicContact CD1-CG 4.29Å; L328-L369 HydrophobicContact CD2-CB 4.32Å; L328-L373 HydrophobicContact CD2-CD1 4.34Å; L328-L765 HydrophobicContact CD1-CD2 4.32Å
329	P	96.5	Very high	97.6	Very high	5 Å²	5	11.1 Å²	11.1	3%	0.032	5%	0.054	C	C	.	.	H	α-helix	trans	-54.6	-53.4	172	-26.8	36.2	0	0	0	111.8	L324 A331 L332 E333 V437 L438 H720	L324-P329 VanDerWaalsContact O-CD 3.26Å; L324-P329 WeakPolarHBondContact O-CD 3.33Å; L324-P329 WeakPolarHBondContact O-CG 3.37Å; P329-A331 PolarHBondContact O-N 3.5Å; P329-L332 PolarHBondContact O-N 3.14Å; P329-E333 PolarHBondContact O-N 2.93Å; P329-E333 VanDerWaalsContact O-N 3.1Å; P329-V437 VanDerWaalsContact C-CG1 3.49Å; P329-V437 HydrophobicContact CB-CG1 3.74Å; P329-V437 HydrophobicContact CB-CG2 4Å; P329-V437 WeakPolarHBondContact O-CG1 3.45Å; P329-L438 HydrophobicContact CB-CD2 4.02Å; P329-H720 HydrophobicContact CG-CB 4.01Å
330	V	97.9	Very high	97.6	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-64.2	-42.7	-178.6	172.8	0	0	0	0	111.8	L271 I305 V326 L327 L328 L332 E333 F334 W435 L438	L271-V330 HydrophobicContact CD1-CG1 4.3Å; L271-V330 HydrophobicContact CD2-CG1 3.78Å; I305-V330 HydrophobicContact CD1-CB 4.38Å; I305-V330 HydrophobicContact CD1-CG1 3.93Å; I305-V330 HydrophobicContact CD1-CG2 4.39Å; V326-V330 WeakPolarHBondContact O-CB 3.43Å; V326-V330 WeakPolarHBondContact O-CG2 3.22Å; V326-V330 PolarHBondContact O-N 2.74Å; L327-V330 PolarHBondContact O-N 3.09Å; L328-V330 PolarHBondContact O-N 2.83Å; V330-L332 VanDerWaalsContact C-N 3.27Å; V330-L332 PolarHBondContact O-N 2.66Å; V330-E333 PolarHBondContact O-N 2.86Å; V330-F334 VanDerWaalsContact O-CB 3.26Å; V330-F334 WeakPolarHBondContact O-CB 3.28Å; V330-F334 PolarHBondContact O-N 2.84Å; V330-W435 HydrophobicContact CB-CD2 4.35Å; V330-W435 HydrophobicContact CG1-CD2 3.56Å; V330-W435 VanDerWaalsContact CG1-CE2 3.41Å; V330-W435 HydrophobicContact CG1-CE3 3.81Å; V330-W435 HydrophobicContact CG1-CG 4.18Å; V330-W435 HydrophobicContact CG1-CH2 3.82Å; V330-W435 HydrophobicContact CG1-CZ2 3.56Å; V330-W435 HydrophobicContact CG1-CZ3 3.93Å; V330-W435 HydrophobicContact CG2-CB 4.23Å; V330-W435 HydrophobicContact CG2-CD2 4.11Å; V330-W435 HydrophobicContact CG2-CG 3.85Å; V330-L438 HydrophobicContact CG2-CD1 3.68Å; V330-L438 HydrophobicContact CG2-CD2 4.03Å; V330-L438 HydrophobicContact CG2-CG 3.87Å
331	A	97.8	Very high	97.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.3	-32.9	178.4	0	0	0	0	0	112.5	L248 L327 L328 P329 Q335 P336 L373	L248-A331 HydrophobicContact CD2-CB 3.92Å; L327-A331 HydrophobicContact CD1-CB 4.44Å; L327-A331 WeakPolarHBondContact O-CB 3.48Å; L327-A331 PolarHBondContact O-N 3.38Å; L328-A331 PolarHBondContact O-N 3.36Å; P329-A331 PolarHBondContact O-N 3.5Å; A331-Q335 PolarHBondContact O-N 3.12Å; A331-P336 WeakPolarHBondContact O-CD 3.4Å; A331-L373 HydrophobicContact CB-CD1 3.67Å; A331-L373 HydrophobicContact CB-CD2 3.87Å; A331-L373 HydrophobicContact CB-CG 4.44Å
332	L	95.1	Very high	97.7	Very high	11 Å²	11	10.5 Å²	10.5	6%	0.058	5%	0.05	C	C	.	.	H	α-helix	trans	-78.1	-26.1	176.2	-72.4	163.6	0	0	0	113	L328 P329 V330 Q335 L373 L716 H720 L808	L328-L332 WeakPolarHBondContact O-CB 3.36Å; L328-L332 WeakPolarHBondContact O-CD1 3.4Å; L328-L332 VanDerWaalsContact O-CG 3.31Å; L328-L332 WeakPolarHBondContact O-CG 3.44Å; L328-L332 PolarHBondContact O-N 3.33Å; P329-L332 PolarHBondContact O-N 3.14Å; V330-L332 VanDerWaalsContact C-N 3.27Å; V330-L332 PolarHBondContact O-N 2.66Å; L332-Q335 WeakPolarHBondContact O-CG 3.42Å; L332-Q335 PolarHBondContact O-NE2 3.49Å; L332-L373 HydrophobicContact CD2-CD2 3.89Å; L332-L373 HydrophobicContact CG-CD2 3.98Å; L332-L716 HydrophobicContact CD1-CD1 4.29Å; L332-H720 VanDerWaalsContact CD1-CE1 3.44Å; L332-H720 WeakPolarHBondContact CD1-CE1 3.49Å; L332-L808 HydrophobicContact CB-CD1 4.09Å
333	E	95.6	Very high	97.7	Very high	66 Å²	66	10.5 Å²	10.5	31%	0.308	5%	0.05	S	C	.	.	H	α-helix	trans	-74.2	-43.5	166.7	-169.7	172.6	157	0	0	111	P329 V330 Q335 W435 E436 V437	P329-E333 PolarHBondContact O-N 2.93Å; P329-E333 VanDerWaalsContact O-N 3.1Å; V330-E333 PolarHBondContact O-N 2.86Å; E333-Q335 PolarHBondContact O-N 3.34Å; E333-W435 HydrophobicContact CB-CE3 4.05Å; E333-W435 HydrophobicContact CB-CZ3 4.3Å; E333-W435 HydrophobicContact CG-CE3 3.97Å; E333-W435 HydrophobicContact CG-CZ3 4.3Å; E333-E436 PolarHBondContact OE1-N 3.07Å; E333-E436 PolarHBondContact OE2-N 2.92Å; E333-E436 VanDerWaalsContact OE2-N 3.08Å; E333-V437 HydrophobicContact CB-CB 4.44Å; E333-V437 HydrophobicContact CB-CG1 4.12Å; E333-V437 WeakPolarHBondContact OE2-CB 3.43Å; E333-V437 WeakPolarHBondContact OE2-CG1 3.36Å; E333-V437 PolarHBondContact OE2-N 2.75Å
334	F	96.9	Very high	97.7	Very high	8 Å²	8	10.5 Å²	10.5	4%	0.035	5%	0.05	C	C	.	.	H	α-helix	trans	-68.1	-28.8	179.2	-179.9	-115.5	0	0	0	114	R246 V247 L248 L271 Y303 V330 P336 W435	R246-F334 HydrophobicContact CB-CE1 3.9Å; R246-F334 HydrophobicContact CB-CE2 4.14Å; R246-F334 HydrophobicContact CB-CZ 3.61Å; R246-F334 WeakPolarHBondContact CD-O 3.38Å; R246-F334 HydrophobicContact CG-CE2 3.95Å; R246-F334 HydrophobicContact CG-CZ 3.93Å; R246-F334 PolarHBondContact NE-O 3.07Å; V247-F334 VanDerWaalsContact O-CE1 3.32Å; V247-F334 WeakPolarHBondContact O-CE1 3.41Å; L248-F334 HydrophobicContact CB-CE1 4.47Å; L271-F334 HydrophobicContact CB-CD1 3.7Å; L271-F334 HydrophobicContact CB-CD2 4.25Å; L271-F334 HydrophobicContact CB-CE1 3.47Å; L271-F334 VanDerWaalsContact CB-CE1 3.47Å; L271-F334 HydrophobicContact CB-CE2 4.04Å; L271-F334 HydrophobicContact CB-CG 4.09Å; L271-F334 HydrophobicContact CB-CZ 3.64Å; L271-F334 HydrophobicContact CD2-CB 3.86Å; L271-F334 HydrophobicContact CD2-CD1 3.65Å; L271-F334 HydrophobicContact CD2-CD2 4.5Å; L271-F334 HydrophobicContact CD2-CE1 4.3Å; L271-F334 HydrophobicContact CD2-CG 3.76Å; L271-F334 HydrophobicContact CG-CD1 4.35Å; Y303-F334 HydrophobicContact CD1-CD2 4.21Å; Y303-F334 AromaticContact CD1-CE2 3.93Å; Y303-F334 HydrophobicContact CD1-CE2 3.93Å; Y303-F334 AromaticContact CE1-CD2 3.81Å; Y303-F334 HydrophobicContact CE1-CD2 3.81Å; Y303-F334 AromaticContact CE1-CE2 3.73Å; Y303-F334 HydrophobicContact CE1-CE2 3.73Å; V330-F334 VanDerWaalsContact O-CB 3.26Å; V330-F334 WeakPolarHBondContact O-CB 3.28Å; V330-F334 PolarHBondContact O-N 2.84Å; F334-P336 HydrophobicContact CD1-CB 4.04Å; F334-P336 HydrophobicContact CD1-CG 4.43Å; F334-P336 HydrophobicContact CE1-CB 4.08Å; F334-W435 HydrophobicContact CB-CH2 3.87Å; F334-W435 HydrophobicContact CB-CZ3 3.91Å; F334-W435 HydrophobicContact CD2-CH2 4.01Å; F334-W435 HydrophobicContact CG-CH2 4.3Å
335	Q	95.8	Very high	97.8	Very high	39 Å²	39	10.5 Å²	10.5	18%	0.182	5%	0.05	C	C	.	.			trans	52.9	63.8	178.1	-68.1	-74.9	-55.5	0	0	113.3	R246 A331 L332 E333 L806	R246-Q335 VanDerWaalsContact CZ-O 3.27Å; R246-Q335 PolarHBondContact NE-O 3.15Å; R246-Q335 PolarHBondContact NH2-O 3.05Å; A331-Q335 PolarHBondContact O-N 3.12Å; L332-Q335 WeakPolarHBondContact O-CG 3.42Å; L332-Q335 PolarHBondContact O-NE2 3.49Å; E333-Q335 PolarHBondContact O-N 3.34Å; Q335-L806 VanDerWaalsContact CD-O 3.27Å; Q335-L806 PolarHBondContact NE2-O 3.41Å; Q335-L806 PolarHBondContact OE1-O 2.9Å
336	P	97.4	Very high	97.8	Very high	6 Å²	6	9.9 Å²	9.9	4%	0.039	5%	0.048	C	C	.	.			trans	-63	147.4	179.4	27.6	-34.7	0	0	0	111.8	L248 A331 F334 V339 L373 A374	L248-P336 HydrophobicContact CB-CB 3.68Å; L248-P336 HydrophobicContact CB-CG 3.98Å; L248-P336 HydrophobicContact CD2-CG 4.34Å; A331-P336 WeakPolarHBondContact O-CD 3.4Å; F334-P336 HydrophobicContact CD1-CB 4.04Å; F334-P336 HydrophobicContact CD1-CG 4.43Å; F334-P336 HydrophobicContact CE1-CB 4.08Å; P336-V339 HydrophobicContact CB-CG2 4.47Å; P336-V339 HydrophobicContact CG-CG2 4.15Å; P336-L373 HydrophobicContact CG-CB 4.36Å; P336-A374 WeakPolarHBondContact O-CA 3.32Å; P336-A374 WeakPolarHBondContact O-CB 2.99Å
337	Q	97.6	Very high	97.8	Very high	68 Å²	68	9.9 Å²	9.9	32%	0.318	5%	0.048	S	C	.	.	S	Bend	trans	-96.1	-15.1	175.2	-64.2	-176.4	-99.4	0	0	112.8	I244 R246 K377	I244-Q337 HydrophobicContact CB-CB 3.98Å; I244-Q337 HydrophobicContact CD1-CB 4.49Å; I244-Q337 HydrophobicContact CG2-CB 4.11Å; R246-Q337 PolarHBondContact O-N 3.03Å; Q337-K377 VanDerWaalsContact O-CE 3.22Å; Q337-K377 WeakPolarHBondContact O-CE 3.06Å
338	L	98.6	Very high	97.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	140	172.3	177.5	65.8	0	0	0	107.5	V195 V198 L199 A238 I244 L248 L340 K377 I379	V195-L338 HydrophobicContact CG2-CD2 4.46Å; V198-L338 HydrophobicContact CG1-CD1 4.12Å; L199-L338 HydrophobicContact CD1-CD2 4.35Å; L199-L338 HydrophobicContact CD2-CD1 4.41Å; A238-L338 HydrophobicContact CB-CD2 3.91Å; I244-L338 HydrophobicContact CD1-CB 3.49Å; I244-L338 VanDerWaalsContact CD1-CB 3.49Å; I244-L338 HydrophobicContact CD1-CD2 4.03Å; I244-L338 HydrophobicContact CD1-CG 4.43Å; L248-L338 PolarHBondContact N-O 3.38Å; L338-L340 HydrophobicContact CD1-CD2 4.5Å; L338-L340 HydrophobicContact CD2-CD2 3.82Å; L338-L340 HydrophobicContact CD2-CG 4.13Å; L338-L340 HydrophobicContact CG-CD2 4.08Å; L338-L340 HydrophobicContact CG-CG 4.31Å; L338-K377 HydrophobicContact CD1-CB 4.45Å; L338-I379 HydrophobicContact CD1-CD1 4.1Å; L338-I379 HydrophobicContact CD1-CG1 4.43Å
339	V	98.9	Very high	97.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.2	166.6	-173.9	0	0	0	0	108.7	L248 V250 P336 V341 L373 A374 K377 L378 I379	L248-V339 HydrophobicContact CB-CG1 4.49Å; L248-V339 HydrophobicContact CB-CG2 4.36Å; L248-V339 HydrophobicContact CD2-CG1 4.04Å; L248-V339 HydrophobicContact CD2-CG2 4.15Å; L248-V339 HydrophobicContact CG-CG1 4.18Å; L248-V339 WeakPolarHBondContact O-CA 3.34Å; V250-V339 HydrophobicContact CG2-CG1 4.12Å; P336-V339 HydrophobicContact CB-CG2 4.47Å; P336-V339 HydrophobicContact CG-CG2 4.15Å; V339-V341 HydrophobicContact CG1-CG2 4.44Å; V339-L373 HydrophobicContact CG2-CB 3.81Å; V339-L373 HydrophobicContact CG2-CD1 4.34Å; V339-A374 HydrophobicContact CG2-CB 4.12Å; V339-K377 PolarHBondContact N-O 3.5Å; V339-L378 HydrophobicContact CB-CD1 3.69Å; V339-L378 HydrophobicContact CG1-CD1 3.52Å; V339-L378 WeakPolarHBondContact O-CA 3.01Å; V339-I379 PolarHBondContact O-N 2.94Å
340	L	98.9	Very high	97.5	Very high	2 Å²	2	18 Å²	18	1%	0.01	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142.9	168.3	-60.4	178.9	0	0	0	108.3	V195 V231 A234 A235 V247 L248 I249 V250 L338 I379	V195-L340 HydrophobicContact CG2-CD2 4.46Å; V231-L340 VanDerWaalsContact O-CD1 3.29Å; V231-L340 WeakPolarHBondContact O-CD1 3.4Å; A234-L340 HydrophobicContact CB-CD1 3.78Å; A234-L340 HydrophobicContact CB-CD2 4.48Å; A235-L340 HydrophobicContact CB-CD1 3.98Å; V247-L340 HydrophobicContact CG1-CD1 4.03Å; V247-L340 HydrophobicContact CG1-CG 4.11Å; L248-L340 PolarHBondContact O-N 2.94Å; I249-L340 WeakPolarHBondContact CA-O 3.49Å; I249-L340 HydrophobicContact CG1-CB 4.39Å; V250-L340 PolarHBondContact N-O 3.36Å; L338-L340 HydrophobicContact CD1-CD2 4.5Å; L338-L340 HydrophobicContact CD2-CD2 3.82Å; L338-L340 HydrophobicContact CD2-CG 4.13Å; L338-L340 HydrophobicContact CG-CD2 4.08Å; L338-L340 HydrophobicContact CG-CG 4.31Å; L340-I379 CarbonylContact C-O 3.6Å; L340-I379 WeakPolarHBondContact CA-O 3.1Å; L340-I379 HydrophobicContact CD2-CB 3.93Å; L340-I379 HydrophobicContact CD2-CD1 4.14Å; L340-I379 HydrophobicContact CD2-CG1 4.49Å
341	V	98.9	Very high	97.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.7	174.5	-171.7	0	0	0	0	109.2	V250 W252 V339 A343 L370 L378 I379 L380 S381	V250-V341 HydrophobicContact CB-CG2 4.41Å; V250-V341 CarbonylContact O-C 3.6Å; V250-V341 WeakPolarHBondContact O-CA 3.24Å; W252-V341 HydrophobicContact CD2-CG1 3.75Å; W252-V341 HydrophobicContact CE3-CG1 3.87Å; W252-V341 HydrophobicContact CG-CG1 4.34Å; W252-V341 HydrophobicContact CH2-CG1 4.13Å; W252-V341 HydrophobicContact CZ2-CG1 4.03Å; W252-V341 HydrophobicContact CZ3-CG1 4.06Å; V339-V341 HydrophobicContact CG1-CG2 4.44Å; V341-A343 HydrophobicContact CB-CB 4.5Å; V341-A343 HydrophobicContact CG1-CB 4.03Å; V341-A343 PolarHBondContact O-N 3.03Å; V341-L370 HydrophobicContact CG2-CD1 3.69Å; V341-L378 HydrophobicContact CG2-CD1 3.6Å; V341-I379 PolarHBondContact N-O 2.93Å; V341-L380 HydrophobicContact CB-CD1 4.05Å; V341-L380 HydrophobicContact CB-CG 3.98Å; V341-L380 HydrophobicContact CG1-CG 4.4Å; V341-L380 HydrophobicContact CG2-CD1 3.81Å; V341-L380 HydrophobicContact CG2-CG 4.28Å; V341-S381 PolarHBondContact O-N 3.34Å
342	A	98.9	Very high	97.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	96.8	160	0	0	0	0	0	106.2	H215 V231 V250 D251 W252 G344 E383	H215-A342 HydrophobicContact CB-CB 4.19Å; V231-A342 HydrophobicContact CG1-CB 4.34Å; V231-A342 HydrophobicContact CG2-CB 4.4Å; V250-A342 PolarHBondContact O-N 2.81Å; D251-A342 HydrophobicContact CB-CB 3.94Å; W252-A342 PolarHBondContact N-O 3.29Å; A342-G344 PolarHBondContact O-N 2.86Å; A342-E383 HydrophobicContact CB-CG 3.78Å
343	A	98.8	Very high	97.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	70.4	-162.7	0	0	0	0	0	111.2	W252 V341 F345 L380 S381 E383	W252-A343 HydrophobicContact CZ2-CB 4.13Å; W252-A343 VanDerWaalsContact NE1-CA 3.32Å; V341-A343 HydrophobicContact CB-CB 4.5Å; V341-A343 HydrophobicContact CG1-CB 4.03Å; V341-A343 PolarHBondContact O-N 3.03Å; A343-F345 HydrophobicContact CB-CE2 4.12Å; A343-F345 HydrophobicContact CB-CZ 4.45Å; A343-F345 VanDerWaalsContact O-CD2 3.32Å; A343-F345 WeakPolarHBondContact O-CD2 3.21Å; A343-F345 VanDerWaalsContact O-CE2 3.25Å; A343-F345 WeakPolarHBondContact O-CE2 3.39Å; A343-L380 HydrophobicContact CB-CB 4.06Å; A343-L380 HydrophobicContact CB-CD2 4.48Å; A343-L380 HydrophobicContact CB-CG 4.11Å; A343-S381 WeakPolarHBondContact CA-O 3.31Å; A343-S381 VanDerWaalsContact CB-O 3.28Å; A343-S381 WeakPolarHBondContact CB-O 3.43Å; A343-S381 PolarHBondContact N-O 2.74Å; A343-E383 PolarHBondContact O-N 2.79Å
344	G	98.6	Very high	97.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.124	C	C	.	.			trans	-72.5	153.5	166.2	0	0	0	0	0	112.4	W252 D253 A342	W252-G344 PolarHBondContact NE1-O 3.27Å; D253-G344 WeakPolarHBondContact OD2-CA 3.44Å; A342-G344 PolarHBondContact O-N 2.86Å
345	F	98.8	Very high	97.2	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	15%	0.147	C	C	.	.			trans	-127.9	15.3	178.5	-68.2	-83	0	0	0	113.1	M207 W252 A343 A347 L348 F363 L382 G384 L391 G394 V395 S398	M207-F345 HydrophobicContact CE-CE2 3.82Å; M207-F345 HydrophobicContact CE-CZ 3.97Å; W252-F345 HydrophobicContact CZ2-CE1 4.31Å; W252-F345 HydrophobicContact CZ2-CZ 4.12Å; A343-F345 HydrophobicContact CB-CE2 4.12Å; A343-F345 HydrophobicContact CB-CZ 4.45Å; A343-F345 VanDerWaalsContact O-CD2 3.32Å; A343-F345 WeakPolarHBondContact O-CD2 3.21Å; A343-F345 VanDerWaalsContact O-CE2 3.25Å; A343-F345 WeakPolarHBondContact O-CE2 3.39Å; F345-A347 VanDerWaalsContact C-N 3.29Å; F345-L348 HydrophobicContact CB-CD1 3.99Å; F345-L348 HydrophobicContact CD1-CD1 4.22Å; F345-L348 WeakPolarHBondContact O-CB 3.48Å; F345-L348 WeakPolarHBondContact O-CD1 3.4Å; F345-L348 WeakPolarHBondContact O-CG 3.14Å; F345-L348 PolarHBondContact O-N 3.3Å; F345-F363 AromaticContact CD1-CD1 3.84Å; F345-F363 HydrophobicContact CD1-CD1 3.84Å; F345-F363 AromaticContact CD1-CE1 3.95Å; F345-F363 HydrophobicContact CD1-CE1 3.95Å; F345-F363 HydrophobicContact CD1-CG 4.15Å; F345-F363 HydrophobicContact CD1-CZ 4.36Å; F345-F363 HydrophobicContact CE1-CB 4.31Å; F345-F363 AromaticContact CE1-CD1 3.64Å; F345-F363 HydrophobicContact CE1-CD1 3.64Å; F345-F363 HydrophobicContact CE1-CE1 4.14Å; F345-F363 HydrophobicContact CE1-CG 4.02Å; F345-L382 HydrophobicContact CD2-CD1 3.87Å; F345-L382 HydrophobicContact CE2-CD1 4.14Å; F345-G384 PolarHBondContact N-O 3Å; F345-L391 HydrophobicContact CB-CD1 3.86Å; F345-L391 HydrophobicContact CD2-CD1 4.04Å; F345-L391 HydrophobicContact CG-CD1 4.29Å; F345-G394 VanDerWaalsContact CE1-C 3.43Å; F345-G394 WeakPolarHBondContact CE1-O 3.48Å; F345-V395 HydrophobicContact CD2-CG2 3.68Å; F345-V395 HydrophobicContact CE2-CG2 3.48Å; F345-V395 VanDerWaalsContact CE2-CG2 3.48Å; F345-V395 HydrophobicContact CG-CG2 4.33Å; F345-V395 HydrophobicContact CZ-CG2 3.98Å; F345-S398 WeakPolarHBondContact CE1-OG 3.21Å
346	D	98.4	Very high	97.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-8.7	174.8	38.5	26.3	0	0	0	113.9	V254 H255 L348 D351 G354 G385 Y386	V254-D346 HydrophobicContact CB-CB 4.39Å; V254-D346 WeakPolarHBondContact CB-OD1 3.46Å; V254-D346 HydrophobicContact CG1-CB 3.75Å; V254-D346 VanDerWaalsContact CG1-OD1 3.32Å; V254-D346 WeakPolarHBondContact CG1-OD1 3.45Å; V254-D346 PolarHBondContact N-OD1 3.05Å; H255-D346 IonicContact CE1-OD2 2.69Å; H255-D346 PolarHBondContact CE1-OD2 3.18Å; H255-D346 IonicContact ND1-OD2 3.83Å; H255-D346 PolarHBondContact ND1-OD2 3.16Å; D346-L348 PolarHBondContact O-N 3.35Å; D346-D351 VanDerWaalsContact CA-CG 3.42Å; D346-D351 HydrophobicContact CB-CB 4.26Å; D346-D351 VanDerWaalsContact CB-CG 3.4Å; D346-D351 WeakPolarHBondContact CB-OD1 3.41Å; D346-D351 WeakPolarHBondContact O-CB 3.27Å; D346-G354 WeakPolarHBondContact O-CA 3.42Å; D346-G385 VanDerWaalsContact N-CA 3.32Å; D346-G385 PolarHBondContact OD2-N 2.62Å; D346-G385 VanDerWaalsContact OD2-N 3.1Å; D346-Y386 HydrophobicContact CB-CD2 4.01Å; D346-Y386 HydrophobicContact CB-CE2 4.07Å; D346-Y386 WeakPolarHBondContact OD2-CE2 3.42Å
347	A	98.2	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-1.1	165.5	0	0	0	0	0	113.6	V254 Y319 F345 M356 A358 F363	V254-A347 HydrophobicContact CB-CB 4.12Å; V254-A347 HydrophobicContact CG2-CB 4.2Å; Y319-A347 HydrophobicContact CE1-CB 4.24Å; Y319-A347 VanDerWaalsContact OH-CB 3.24Å; Y319-A347 WeakPolarHBondContact OH-CB 3.27Å; F345-A347 VanDerWaalsContact C-N 3.29Å; A347-M356 HydrophobicContact CB-CB 4.43Å; A347-M356 HydrophobicContact CB-CG 4.5Å; A347-M356 WeakPolarHBondContact O-CB 3.31Å; A347-A358 WeakPolarHBondContact O-CB 3.31Å; A347-A358 PolarHBondContact O-N 3.36Å; A347-F363 HydrophobicContact CB-CZ 4.09Å
348	L	97.6	Very high	97.2	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-75.8	152.5	175.4	-72.8	170.3	0	0	0	113.5	F345 D346 G350 D351 A358 P360 F363 A390	F345-L348 HydrophobicContact CB-CD1 3.99Å; F345-L348 HydrophobicContact CD1-CD1 4.22Å; F345-L348 WeakPolarHBondContact O-CB 3.48Å; F345-L348 WeakPolarHBondContact O-CD1 3.4Å; F345-L348 WeakPolarHBondContact O-CG 3.14Å; F345-L348 PolarHBondContact O-N 3.3Å; D346-L348 PolarHBondContact O-N 3.35Å; L348-G350 PolarHBondContact O-N 3.47Å; L348-D351 PolarHBondContact O-N 3.03Å; L348-A358 WeakPolarHBondContact CA-O 3.36Å; L348-P360 HydrophobicContact CD2-CG 4.32Å; L348-F363 HydrophobicContact CD2-CD2 3.48Å; L348-F363 VanDerWaalsContact CD2-CD2 3.48Å; L348-F363 HydrophobicContact CD2-CE2 3.42Å; L348-F363 VanDerWaalsContact CD2-CE2 3.42Å; L348-F363 HydrophobicContact CG-CD2 4.06Å; L348-F363 HydrophobicContact CG-CE2 3.6Å; L348-F363 HydrophobicContact CG-CZ 4.35Å; L348-A390 HydrophobicContact CB-CB 3.96Å; L348-A390 VanDerWaalsContact CD1-C 3.5Å; L348-A390 HydrophobicContact CD1-CB 4.07Å; L348-A390 WeakPolarHBondContact CD1-O 3.34Å
349	Q	95.8	Very high	97.1	Very high	128 Å²	128	23.5 Å²	23.5	60%	0.598	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	125	174	-171.7	177.3	108.8	0	0	112	M356 A358	Q349-M356 WeakPolarHBondContact CA-O 3.35Å; Q349-A358 PolarHBondContact N-O 2.82Å
350	G	93.9	Very high	97	Very high	47 Å²	47	24.3 Å²	24.3	49%	0.485	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	4.9	177.2	0	0	0	0	0	115	L348 N387	L348-G350 PolarHBondContact O-N 3.47Å; G350-N387 WeakPolarHBondContact O-CB 3.5Å; G350-N387 PolarHBondContact O-ND2 3.13Å
351	D	97.9	Very high	96.8	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.032	14%	0.138	C	C	.	.			trans	-68.3	133.4	168.1	-170.9	-86.2	0	0	0	112.1	D346 L348 K353 G354 Y386 N387	D346-D351 VanDerWaalsContact CA-CG 3.42Å; D346-D351 HydrophobicContact CB-CB 4.26Å; D346-D351 VanDerWaalsContact CB-CG 3.4Å; D346-D351 WeakPolarHBondContact CB-OD1 3.41Å; D346-D351 WeakPolarHBondContact O-CB 3.27Å; L348-D351 PolarHBondContact O-N 3.03Å; D351-K353 VanDerWaalsContact C-N 3.28Å; D351-K353 PolarHBondContact O-N 2.84Å; D351-K353 WeakPolarHBondContact OD1-CA 3.34Å; D351-K353 WeakPolarHBondContact OD1-CB 3.46Å; D351-K353 PolarHBondContact OD1-N 3.43Å; D351-G354 PolarHBondContact OD1-N 2.92Å; D351-G354 VanDerWaalsContact OD1-N 3.07Å; D351-Y386 WeakPolarHBondContact OD2-CA 3.35Å; D351-Y386 PolarHBondContact OD2-N 3.27Å; D351-N387 PolarHBondContact OD2-N 3.09Å
352	P	93.6	Very high	96.7	Very high	90 Å²	90	24.4 Å²	24.4	58%	0.584	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-3.3	-176.2	32.6	-38.2	0	0	0	115.1
353	K	93.6	Very high	96.7	Very high	72 Å²	72	24.4 Å²	24.4	31%	0.313	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-46.1	177	-59.6	-63.3	-171.6	167.2	0	111.9	R277 F283 D351 Y386	R277-K353 PolarHBondContact NH1-O 3.23Å; F283-K353 WeakPolarHBondContact CE2-O 3.13Å; F283-K353 WeakPolarHBondContact CZ-O 3.33Å; D351-K353 VanDerWaalsContact C-N 3.28Å; D351-K353 PolarHBondContact O-N 2.84Å; D351-K353 WeakPolarHBondContact OD1-CA 3.34Å; D351-K353 WeakPolarHBondContact OD1-CB 3.46Å; D351-K353 PolarHBondContact OD1-N 3.43Å; K353-Y386 HydrophobicContact CB-CD2 4.01Å; K353-Y386 HydrophobicContact CB-CE2 4.3Å; K353-Y386 HydrophobicContact CG-CD2 3.5Å; K353-Y386 VanDerWaalsContact CG-CD2 3.5Å; K353-Y386 HydrophobicContact CG-CE2 3.92Å; K353-Y386 HydrophobicContact CG-CG 4.27Å
354	G	94.8	Very high	96.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-37.4	-175.2	0	0	0	0	0	114.5	R277 D346 D351 M356	R277-G354 WeakPolarHBondContact CD-O 3.24Å; R277-G354 PolarHBondContact NH1-O 3Å; D346-G354 WeakPolarHBondContact O-CA 3.42Å; D351-G354 PolarHBondContact OD1-N 2.92Å; D351-G354 VanDerWaalsContact OD1-N 3.07Å; G354-M356 PolarHBondContact O-N 3.19Å; G354-M356 VanDerWaalsContact O-N 3.17Å
355	E	96.9	Very high	96.6	Very high	109 Å²	109	24.6 Å²	24.6	51%	0.509	14%	0.141	S	C	.	.			trans	53.8	25.4	-171.6	-61.2	176.6	-110.9	0	0	113.3	R277 V312 G313	R277-E355 IonicContact CZ-OE1 2.7Å; R277-E355 IonicContact NH1-OE1 3.87Å; R277-E355 PolarHBondContact NH1-OE1 2.87Å; R277-E355 IonicContact NH2-OE1 2.77Å; R277-E355 PolarHBondContact NH2-OE1 2.94Å; R277-E355 IonicContact NH2-OE2 3.45Å; V312-E355 HydrophobicContact CB-CB 4.03Å; V312-E355 HydrophobicContact CG1-CB 3.87Å; G313-E355 PolarHBondContact N-O 3.15Å
356	M	97.9	Very high	96.6	Very high	7 Å²	7	24.7 Å²	24.7	3%	0.034	14%	0.142	C	C	.	.			trans	-92.1	178	179.5	-65.7	-56	171	0	0	111.7	V254 R277 W309 M314 A347 Q349 G354	V254-M356 HydrophobicContact CG2-CE 4.12Å; V254-M356 HydrophobicContact CG2-CG 3.7Å; R277-M356 HydrophobicContact CB-CE 3.61Å; R277-M356 HydrophobicContact CG-CE 3.81Å; W309-M356 HydrophobicContact CB-CE 4.12Å; M314-M356 HydrophobicContact CB-SD 3.62Å; M314-M356 HydrophobicContact CG-CE 4.31Å; M314-M356 HydrophobicContact CG-SD 3.67Å; M314-M356 PolarHBondContact N-SD 3.27Å; M314-M356 VanDerWaalsContact N-SD 3.43Å; A347-M356 HydrophobicContact CB-CB 4.43Å; A347-M356 HydrophobicContact CB-CG 4.5Å; A347-M356 WeakPolarHBondContact O-CB 3.31Å; Q349-M356 WeakPolarHBondContact CA-O 3.35Å; G354-M356 PolarHBondContact O-N 3.19Å; G354-M356 VanDerWaalsContact O-N 3.17Å
357	A	96.5	Very high	96.6	Very high	19 Å²	19	24.7 Å²	24.7	16%	0.157	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-136.7	25.9	-174.7	0	0	0	0	0	112.7	M314 R315	M314-A357 CarbonylContact O-C 3.58Å; M314-A357 VanDerWaalsContact O-C 3.23Å; M314-A357 WeakPolarHBondContact O-CA 3.38Å; M314-A357 PolarHBondContact O-N 3.27Å; R315-A357 HydrophobicContact CG-CB 4.01Å
358	A	96.1	Very high	96.6	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.017	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-71	154.4	168.1	0	0	0	0	0	110.4	M314 Y319 A347 L348 Q349 F363	M314-A358 PolarHBondContact O-N 2.84Å; M314-A358 VanDerWaalsContact O-N 3.16Å; Y319-A358 HydrophobicContact CD2-CB 4.35Å; Y319-A358 HydrophobicContact CE2-CB 4.34Å; A347-A358 WeakPolarHBondContact O-CB 3.31Å; A347-A358 PolarHBondContact O-N 3.36Å; L348-A358 WeakPolarHBondContact CA-O 3.36Å; Q349-A358 PolarHBondContact N-O 2.82Å; A358-F363 HydrophobicContact CB-CE2 4.09Å
359	T	96.4	Very high	96.6	Very high	9 Å²	9	25.5 Å²	25.5	6%	0.055	15%	0.146	C	C	.	.			trans	-110.9	161.4	-177.4	66.9	0	0	0	0	110.9	D316 A361 G362 F363 E411	D316-T359 PolarHBondContact OD1-N 2.95Å; D316-T359 PolarHBondContact OD1-OG1 3.16Å; D316-T359 WeakPolarHBondContact OD2-CG2 3.23Å; D316-T359 PolarHBondContact OD2-OG1 3.39Å; T359-A361 PolarHBondContact O-N 2.92Å; T359-A361 WeakPolarHBondContact OG1-CB 3.28Å; T359-A361 PolarHBondContact OG1-N 3.18Å; T359-G362 WeakPolarHBondContact O-CA 3.46Å; T359-G362 PolarHBondContact O-N 3.48Å; T359-G362 PolarHBondContact OG1-N 2.72Å; T359-G362 VanDerWaalsContact OG1-N 3.11Å; T359-F363 WeakPolarHBondContact O-CD2 3.47Å; T359-F363 PolarHBondContact O-N 3.26Å; T359-E411 HydrophobicContact CG2-CB 4.4Å
360	P	96.8	Very high	96.8	Very high	16 Å²	16	19.4 Å²	19.4	10%	0.104	12%	0.117	C	C	.	.	H	α-helix	trans	-54.9	-32.8	169.6	-25.5	35.6	0	0	0	112.2	L348 G362 F363 A364 E393 A397 L472	L348-P360 HydrophobicContact CD2-CG 4.32Å; P360-G362 VanDerWaalsContact C-N 3.34Å; P360-G362 PolarHBondContact O-N 2.61Å; P360-F363 PolarHBondContact O-N 2.85Å; P360-A364 PolarHBondContact O-N 3.16Å; P360-E393 HydrophobicContact CB-CB 4.45Å; P360-E393 HydrophobicContact CG-CB 3.83Å; P360-A397 HydrophobicContact CB-CB 3.74Å; P360-A397 VanDerWaalsContact O-CB 3.23Å; P360-A397 WeakPolarHBondContact O-CB 3.37Å; P360-L472 HydrophobicContact CB-CD1 4.05Å; P360-L472 HydrophobicContact CG-CD1 4.32Å
361	A	94.9	Very high	96.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.3	-38.2	172.6	0	0	0	0	0	112.8	T359 A364 Q365 P408 L410 L472	T359-A361 PolarHBondContact O-N 2.92Å; T359-A361 WeakPolarHBondContact OG1-CB 3.28Å; T359-A361 PolarHBondContact OG1-N 3.18Å; A361-A364 PolarHBondContact O-N 3.32Å; A361-Q365 WeakPolarHBondContact O-CG 3.31Å; A361-Q365 PolarHBondContact O-N 2.85Å; A361-Q365 VanDerWaalsContact O-N 3.15Å; A361-P408 HydrophobicContact CB-CB 4.17Å; A361-P408 HydrophobicContact CB-CG 3.54Å; A361-L410 HydrophobicContact CB-CD2 4.29Å; A361-L472 HydrophobicContact CB-CD2 4.41Å
362	G	96.5	Very high	96.7	Very high	4 Å²	4	18 Å²	18	4%	0.041	10%	0.1	C	C	.	.	H	α-helix	trans	-56.6	-51.3	170.6	0	0	0	0	0	112.5	D316 T359 P360 A364 Q365 L366	D316-G362 WeakPolarHBondContact OD1-CA 3.44Å; T359-G362 WeakPolarHBondContact O-CA 3.46Å; T359-G362 PolarHBondContact O-N 3.48Å; T359-G362 PolarHBondContact OG1-N 2.72Å; T359-G362 VanDerWaalsContact OG1-N 3.11Å; P360-G362 VanDerWaalsContact C-N 3.34Å; P360-G362 PolarHBondContact O-N 2.61Å; G362-A364 VanDerWaalsContact C-N 3.33Å; G362-A364 PolarHBondContact O-N 3.43Å; G362-Q365 WeakPolarHBondContact O-CA 3.25Å; G362-Q365 WeakPolarHBondContact O-CB 3.43Å; G362-Q365 PolarHBondContact O-N 3.46Å; G362-L366 WeakPolarHBondContact O-CG 3.1Å; G362-L366 PolarHBondContact O-N 3.24Å
363	F	98.1	Very high	96.9	Very high	1 Å²	1	14 Å²	14	0%	0.004	7%	0.074	C	C	.	.	H	α-helix	trans	-64	-34.2	179.3	-76.8	-92.3	0	0	0	113.5	W252 F345 A347 L348 A358 T359 P360 Q365 L366 T367	W252-F363 AromaticContact CD1-CE1 3.62Å; W252-F363 HydrophobicContact CD2-CD1 4.08Å; W252-F363 HydrophobicContact CD2-CE1 4.05Å; W252-F363 AromaticContact CE2-CD1 3.62Å; W252-F363 AromaticContact CE2-CE1 3.77Å; W252-F363 HydrophobicContact CG-CD1 4.48Å; W252-F363 AromaticContact CG-CE1 3.97Å; W252-F363 HydrophobicContact CG-CE1 3.97Å; W252-F363 HydrophobicContact CH2-CD1 4.43Å; W252-F363 AromaticContact CZ2-CD1 3.83Å; W252-F363 HydrophobicContact CZ2-CD1 3.83Å; W252-F363 HydrophobicContact CZ2-CE1 4.42Å; W252-F363 AromaticContact NE1-CD1 3.72Å; W252-F363 AromaticContact NE1-CE1 3.43Å; F345-F363 AromaticContact CD1-CD1 3.84Å; F345-F363 HydrophobicContact CD1-CD1 3.84Å; F345-F363 AromaticContact CD1-CE1 3.95Å; F345-F363 HydrophobicContact CD1-CE1 3.95Å; F345-F363 HydrophobicContact CD1-CG 4.15Å; F345-F363 HydrophobicContact CD1-CZ 4.36Å; F345-F363 HydrophobicContact CE1-CB 4.31Å; F345-F363 AromaticContact CE1-CD1 3.64Å; F345-F363 HydrophobicContact CE1-CD1 3.64Å; F345-F363 HydrophobicContact CE1-CE1 4.14Å; F345-F363 HydrophobicContact CE1-CG 4.02Å; A347-F363 HydrophobicContact CB-CZ 4.09Å; L348-F363 HydrophobicContact CD2-CD2 3.48Å; L348-F363 VanDerWaalsContact CD2-CD2 3.48Å; L348-F363 HydrophobicContact CD2-CE2 3.42Å; L348-F363 VanDerWaalsContact CD2-CE2 3.42Å; L348-F363 HydrophobicContact CG-CD2 4.06Å; L348-F363 HydrophobicContact CG-CE2 3.6Å; L348-F363 HydrophobicContact CG-CZ 4.35Å; A358-F363 HydrophobicContact CB-CE2 4.09Å; T359-F363 WeakPolarHBondContact O-CD2 3.47Å; T359-F363 PolarHBondContact O-N 3.26Å; P360-F363 PolarHBondContact O-N 2.85Å; F363-Q365 VanDerWaalsContact C-N 3.34Å; F363-Q365 PolarHBondContact O-N 3.24Å; F363-L366 PolarHBondContact O-N 3.04Å; F363-T367 WeakPolarHBondContact O-CB 3.26Å; F363-T367 PolarHBondContact O-N 2.78Å; F363-T367 PolarHBondContact O-OG1 3.25Å
364	A	97.8	Very high	96.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.1	-42.4	170.4	0	0	0	0	0	111.9	P360 A361 G362 H368 A397 T401 P408	P360-A364 PolarHBondContact O-N 3.16Å; A361-A364 PolarHBondContact O-N 3.32Å; G362-A364 VanDerWaalsContact C-N 3.33Å; G362-A364 PolarHBondContact O-N 3.43Å; A364-H368 WeakPolarHBondContact O-CB 3.21Å; A364-H368 PolarHBondContact O-N 3.48Å; A364-A397 HydrophobicContact CB-CB 4.31Å; A364-T401 WeakPolarHBondContact CB-OG1 3.26Å; A364-T401 PolarHBondContact O-OG1 3.18Å; A364-P408 HydrophobicContact CB-CG 4.17Å
365	Q	97.5	Very high	96.7	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.019	7%	0.07	C	C	.	.	H	α-helix	trans	-65.9	-45.3	174.5	-60.7	-67.4	-17.2	0	0	111.9	I320 A361 G362 F363 T367 H368 L369 C407 P408 L410 Y728 G768	I320-Q365 HydrophobicContact CD1-CB 4.25Å; I320-Q365 HydrophobicContact CD1-CG 4.43Å; A361-Q365 WeakPolarHBondContact O-CG 3.31Å; A361-Q365 PolarHBondContact O-N 2.85Å; A361-Q365 VanDerWaalsContact O-N 3.15Å; G362-Q365 WeakPolarHBondContact O-CA 3.25Å; G362-Q365 WeakPolarHBondContact O-CB 3.43Å; G362-Q365 PolarHBondContact O-N 3.46Å; F363-Q365 VanDerWaalsContact C-N 3.34Å; F363-Q365 PolarHBondContact O-N 3.24Å; Q365-T367 VanDerWaalsContact C-N 3.3Å; Q365-T367 PolarHBondContact O-N 3.07Å; Q365-H368 PolarHBondContact O-N 2.89Å; Q365-H368 VanDerWaalsContact O-N 3.17Å; Q365-L369 WeakPolarHBondContact O-CG 3.37Å; Q365-L369 PolarHBondContact O-N 3.13Å; Q365-C407 VanDerWaalsContact NE2-CB 3.33Å; Q365-P408 PolarHBondContact NE2-O 2.68Å; Q365-L410 HydrophobicContact CG-CD2 3.9Å; Q365-L410 HydrophobicContact CG-CG 4.43Å; Q365-Y728 HydrophobicContact CG-CE1 4.25Å; Q365-Y728 PolarHBondContact OE1-OH 2.99Å; Q365-G768 PolarHBondContact NE2-O 3.25Å; Q365-G768 VanDerWaalsContact OE1-CA 3.26Å; Q365-G768 PolarHBondContact OE1-O 3.33Å
366	L	98.7	Very high	96.5	Very high	3 Å²	3	6.6 Å²	6.6	2%	0.016	5%	0.046	C	C	.	.	H	α-helix	trans	-58.5	-43.6	178	-59.3	-169.8	0	0	0	111.2	W252 Y319 I320 F323 G362 F363 L369 L370	W252-L366 HydrophobicContact CE3-CB 3.91Å; W252-L366 HydrophobicContact CE3-CD1 4.04Å; W252-L366 HydrophobicContact CZ3-CB 3.69Å; Y319-L366 HydrophobicContact CD1-CD1 4.36Å; I320-L366 HydrophobicContact CG1-CD2 4.2Å; F323-L366 HydrophobicContact CD1-CB 4.44Å; F323-L366 HydrophobicContact CD1-CD2 3.84Å; F323-L366 HydrophobicContact CD2-CD2 3.86Å; F323-L366 HydrophobicContact CE1-CB 3.81Å; F323-L366 HydrophobicContact CE1-CD2 3.93Å; F323-L366 HydrophobicContact CE1-CG 4.31Å; F323-L366 HydrophobicContact CE2-CD1 4.11Å; F323-L366 HydrophobicContact CE2-CD2 3.97Å; F323-L366 HydrophobicContact CE2-CG 4.47Å; F323-L366 HydrophobicContact CG-CD2 3.81Å; F323-L366 HydrophobicContact CZ-CB 3.97Å; F323-L366 HydrophobicContact CZ-CD1 4.06Å; F323-L366 HydrophobicContact CZ-CD2 4.01Å; F323-L366 HydrophobicContact CZ-CG 4.21Å; G362-L366 WeakPolarHBondContact O-CG 3.1Å; G362-L366 PolarHBondContact O-N 3.24Å; F363-L366 PolarHBondContact O-N 3.04Å; L366-L369 PolarHBondContact O-N 2.91Å; L366-L370 WeakPolarHBondContact O-CG 3.31Å; L366-L370 PolarHBondContact O-N 3.38Å
367	T	98.9	Very high	96.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.2	-47.6	174.9	-54.3	0	0	0	0	111.6	W252 F363 Q365 L369 L370 M371 L378 T401 L402	W252-T367 WeakPolarHBondContact CH2-OG1 3.01Å; F363-T367 WeakPolarHBondContact O-CB 3.26Å; F363-T367 PolarHBondContact O-N 2.78Å; F363-T367 PolarHBondContact O-OG1 3.25Å; Q365-T367 VanDerWaalsContact C-N 3.3Å; Q365-T367 PolarHBondContact O-N 3.07Å; T367-L369 PolarHBondContact O-N 3.39Å; T367-L370 PolarHBondContact O-N 3.17Å; T367-M371 HydrophobicContact CG2-SD 4.26Å; T367-M371 WeakPolarHBondContact O-CG 3.44Å; T367-M371 PolarHBondContact O-N 2.76Å; T367-M371 VanDerWaalsContact O-N 3.08Å; T367-L378 HydrophobicContact CG2-CD2 4.26Å; T367-T401 HydrophobicContact CG2-CG2 3.73Å; T367-L402 HydrophobicContact CG2-CD2 3.73Å; T367-L402 HydrophobicContact CG2-CG 3.96Å
368	H	98.4	Very high	96.6	Very high	17 Å²	17	7.9 Å²	7.9	8%	0.079	5%	0.048	C	C	.	.	H	α-helix	trans	-63	-41	-178.7	175.5	68.6	0	0	0	112.4	A364 Q365 L370 M371 T401 C407 H764 G768	A364-H368 WeakPolarHBondContact O-CB 3.21Å; A364-H368 PolarHBondContact O-N 3.48Å; Q365-H368 PolarHBondContact O-N 2.89Å; Q365-H368 VanDerWaalsContact O-N 3.17Å; H368-L370 VanDerWaalsContact C-N 3.31Å; H368-L370 PolarHBondContact O-N 3.25Å; H368-M371 PolarHBondContact O-N 2.92Å; H368-T401 HydrophobicContact CB-CG2 3.74Å; H368-C407 VanDerWaalsContact CB-SG 3.55Å; H368-H764 AromaticContact CE1-CD2 3.97Å; H368-H764 AromaticContact CE1-CE1 3.24Å; H368-H764 PolarHBondContact CE1-CE1 3.15Å; H368-H764 AromaticContact CE1-ND1 3.7Å; H368-H764 AromaticContact CE1-NE2 3.4Å; H368-H764 PolarHBondContact CE1-NE2 2.99Å; H368-H764 PolarHBondContact CE1-O 3.26Å; H368-H764 AromaticContact ND1-CE1 3.6Å; H368-H764 AromaticContact ND1-NE2 3.78Å; H368-H764 AromaticContact NE2-CD2 3.96Å; H368-H764 AromaticContact NE2-CE1 3.95Å; H368-H764 AromaticContact NE2-NE2 3.67Å; H368-H764 PolarHBondContact NE2-O 3.03Å; H368-H764 PolarHBondContact O-NE2 2.7Å; H368-G768 PolarHBondContact NE2-N 3.22Å
369	L	98.5	Very high	96.7	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.01	5%	0.047	C	C	.	.	H	α-helix	trans	-61.4	-38.4	175.9	-69.6	175.3	0	0	0	111.9	F323 L328 Q365 L366 T367 L765	F323-L369 HydrophobicContact CB-CD1 4.17Å; F323-L369 HydrophobicContact CD1-CB 4.27Å; F323-L369 HydrophobicContact CD1-CD1 4.14Å; L328-L369 HydrophobicContact CD1-CB 4.05Å; L328-L369 HydrophobicContact CD1-CD1 4.28Å; L328-L369 HydrophobicContact CD1-CD2 3.9Å; L328-L369 HydrophobicContact CD1-CG 4.29Å; L328-L369 HydrophobicContact CD2-CB 4.32Å; Q365-L369 WeakPolarHBondContact O-CG 3.37Å; Q365-L369 PolarHBondContact O-N 3.13Å; L366-L369 PolarHBondContact O-N 2.91Å; T367-L369 PolarHBondContact O-N 3.39Å; L369-L765 HydrophobicContact CD2-CD2 3.83Å
370	L	98.6	Very high	96.8	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-73.2	-27.7	176.1	-62.5	178.7	0	0	0	113.6	V250 W252 F323 L327 V341 L366 T367 H368 G372 L373 L378	V250-L370 HydrophobicContact CB-CD1 4.25Å; V250-L370 HydrophobicContact CG1-CD1 4.22Å; V250-L370 HydrophobicContact CG2-CD1 4.06Å; V250-L370 HydrophobicContact CG2-CD2 3.89Å; W252-L370 HydrophobicContact CZ3-CD1 4.21Å; F323-L370 HydrophobicContact CE1-CD1 4.24Å; F323-L370 HydrophobicContact CE1-CD2 3.97Å; F323-L370 HydrophobicContact CE1-CG 3.95Å; L327-L370 HydrophobicContact CD2-CD2 3.88Å; V341-L370 HydrophobicContact CG2-CD1 3.69Å; L366-L370 WeakPolarHBondContact O-CG 3.31Å; L366-L370 PolarHBondContact O-N 3.38Å; T367-L370 PolarHBondContact O-N 3.17Å; H368-L370 VanDerWaalsContact C-N 3.31Å; H368-L370 PolarHBondContact O-N 3.25Å; L370-G372 PolarHBondContact O-N 3.23Å; L370-G372 VanDerWaalsContact O-N 3.16Å; L370-L373 HydrophobicContact CD2-CD1 3.94Å; L370-L373 WeakPolarHBondContact O-CB 3.3Å; L370-L373 PolarHBondContact O-N 2.98Å; L370-L378 HydrophobicContact CB-CD1 3.98Å; L370-L378 HydrophobicContact CB-CD2 3.99Å; L370-L378 HydrophobicContact CD1-CD1 4.28Å
371	M	96.9	Very high	96.9	Very high	16 Å²	16	6.7 Å²	6.7	8%	0.079	4%	0.04	C	C	.	.	H	α-helix	trans	-65.2	-15	178.2	-74.9	173.5	62.1	0	0	114.1	T367 H368 L373 G376 L378 T401 L402	T367-M371 HydrophobicContact CG2-SD 4.26Å; T367-M371 WeakPolarHBondContact O-CG 3.44Å; T367-M371 PolarHBondContact O-N 2.76Å; T367-M371 VanDerWaalsContact O-N 3.08Å; H368-M371 PolarHBondContact O-N 2.92Å; M371-L373 VanDerWaalsContact C-N 3.29Å; M371-G376 WeakPolarHBondContact O-CA 3.31Å; M371-L378 HydrophobicContact CG-CD2 3.62Å; M371-T401 WeakPolarHBondContact CE-O 3.4Å; M371-T401 HydrophobicContact SD-CG2 3.8Å; M371-T401 VanDerWaalsContact SD-O 3.41Å; M371-L402 HydrophobicContact SD-CD2 4.27Å
372	G	94.3	Very high	97.1	Very high	7 Å²	7	6.7 Å²	6.7	7%	0.072	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.4	169.5	0	0	0	0	0	114.2	L370 H761 H764	L370-G372 PolarHBondContact O-N 3.23Å; L370-G372 VanDerWaalsContact O-N 3.16Å; G372-H761 PolarHBondContact O-CE1 3.01Å; G372-H764 PolarHBondContact N-NE2 2.78Å
373	L	96	Very high	97.2	Very high	7 Å²	7	6.5 Å²	6.5	4%	0.037	4%	0.038	C	C	.	.	S	Bend	trans	-89.5	158.6	-177.8	-57.9	173.5	0	0	0	111.7	L248 L328 A331 L332 P336 V339 L370 M371 G375 G376	L248-L373 HydrophobicContact CD2-CD1 3.72Å; L328-L373 HydrophobicContact CD2-CD1 4.34Å; A331-L373 HydrophobicContact CB-CD1 3.67Å; A331-L373 HydrophobicContact CB-CD2 3.87Å; A331-L373 HydrophobicContact CB-CG 4.44Å; L332-L373 HydrophobicContact CD2-CD2 3.89Å; L332-L373 HydrophobicContact CG-CD2 3.98Å; P336-L373 HydrophobicContact CG-CB 4.36Å; V339-L373 HydrophobicContact CG2-CB 3.81Å; V339-L373 HydrophobicContact CG2-CD1 4.34Å; L370-L373 HydrophobicContact CD2-CD1 3.94Å; L370-L373 WeakPolarHBondContact O-CB 3.3Å; L370-L373 PolarHBondContact O-N 2.98Å; M371-L373 VanDerWaalsContact C-N 3.29Å; L373-G375 PolarHBondContact O-N 2.86Å; L373-G376 PolarHBondContact O-N 3.48Å
374	A	94.4	Very high	97.2	Very high	5 Å²	5	6.5 Å²	6.5	4%	0.041	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	15.5	176.7	0	0	0	0	0	116	P336 V339 K377	P336-A374 WeakPolarHBondContact O-CA 3.32Å; P336-A374 WeakPolarHBondContact O-CB 2.99Å; V339-A374 HydrophobicContact CG2-CB 4.12Å; A374-K377 HydrophobicContact CB-CB 4.18Å; A374-K377 PolarHBondContact O-NZ 3.29Å
375	G	91.2	Very high	97.2	Very high	18 Å²	18	6.5 Å²	6.5	19%	0.186	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	43.4	-170.3	0	0	0	0	0	112.7	L373 K377 P802	L373-G375 PolarHBondContact O-N 2.86Å; G375-K377 VanDerWaalsContact C-N 3.28Å; G375-K377 PolarHBondContact O-N 2.84Å; G375-P802 WeakPolarHBondContact O-CB 3.48Å
376	G	92.9	Very high	97.2	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.01	4%	0.041	C	C	.	.	S	Bend	trans	78.2	1	178.4	0	0	0	0	0	115.7	M371 L373 L378	M371-G376 WeakPolarHBondContact O-CA 3.31Å; L373-G376 PolarHBondContact O-N 3.48Å; G376-L378 PolarHBondContact O-N 3.11Å
377	K	97.2	Very high	97.2	Very high	53 Å²	53	9.6 Å²	9.6	23%	0.23	5%	0.053	C	C	.	.			trans	-77.2	83.7	-179	-70	-167.8	-64.4	-60.4	0	111.3	V198 L199 Q337 L338 V339 A374 G375	V198-K377 HydrophobicContact CG1-CB 3.58Å; V198-K377 HydrophobicContact CG1-CD 3.93Å; V198-K377 HydrophobicContact CG1-CG 3.63Å; L199-K377 HydrophobicContact CD2-CD 4.22Å; Q337-K377 VanDerWaalsContact O-CE 3.22Å; Q337-K377 WeakPolarHBondContact O-CE 3.06Å; L338-K377 HydrophobicContact CD1-CB 4.45Å; V339-K377 PolarHBondContact N-O 3.5Å; A374-K377 HydrophobicContact CB-CB 4.18Å; A374-K377 PolarHBondContact O-NZ 3.29Å; G375-K377 VanDerWaalsContact C-N 3.28Å; G375-K377 PolarHBondContact O-N 2.84Å
378	L	98.5	Very high	97.2	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.9	-172.2	-179.5	63.1	0	0	0	110.2	N205 G206 V339 V341 T367 L370 M371 G376 L380 L402	N205-L378 CarbonylContact C-O 3.6Å; N205-L378 WeakPolarHBondContact CA-O 3.42Å; N205-L378 HydrophobicContact CB-CB 4.3Å; N205-L378 VanDerWaalsContact CB-O 3.22Å; N205-L378 WeakPolarHBondContact CB-O 3.48Å; G206-L378 PolarHBondContact N-O 3.14Å; V339-L378 HydrophobicContact CB-CD1 3.69Å; V339-L378 HydrophobicContact CG1-CD1 3.52Å; V339-L378 WeakPolarHBondContact O-CA 3.01Å; V341-L378 HydrophobicContact CG2-CD1 3.6Å; T367-L378 HydrophobicContact CG2-CD2 4.26Å; L370-L378 HydrophobicContact CB-CD1 3.98Å; L370-L378 HydrophobicContact CB-CD2 3.99Å; L370-L378 HydrophobicContact CD1-CD1 4.28Å; M371-L378 HydrophobicContact CG-CD2 3.62Å; G376-L378 PolarHBondContact O-N 3.11Å; L378-L380 HydrophobicContact CD1-CD1 4.18Å; L378-L380 HydrophobicContact CD2-CD1 4.13Å; L378-L380 HydrophobicContact CG-CD1 3.83Å; L378-L402 HydrophobicContact CD2-CD2 3.75Å; L378-L402 HydrophobicContact CG-CD2 4.25Å
379	I	98.9	Very high	97.1	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.4	174	-58.8	169.9	0	0	0	109.2	V191 L194 V195 V198 G206 L338 V339 L340 V341	V191-I379 HydrophobicContact CG1-CG2 4.4Å; L194-I379 HydrophobicContact CB-CD1 4.02Å; L194-I379 HydrophobicContact CB-CG1 4.37Å; L194-I379 HydrophobicContact CB-CG2 4.03Å; L194-I379 HydrophobicContact CD1-CG2 3.97Å; V195-I379 HydrophobicContact CB-CD1 4.33Å; V195-I379 HydrophobicContact CG2-CD1 3.77Å; V198-I379 HydrophobicContact CB-CD1 4.19Å; V198-I379 HydrophobicContact CB-CG1 4.44Å; V198-I379 HydrophobicContact CG2-CD1 4.01Å; V198-I379 HydrophobicContact CG2-CG1 3.84Å; G206-I379 WeakPolarHBondContact O-CA 3.33Å; L338-I379 HydrophobicContact CD1-CD1 4.1Å; L338-I379 HydrophobicContact CD1-CG1 4.43Å; V339-I379 PolarHBondContact O-N 2.94Å; L340-I379 CarbonylContact C-O 3.6Å; L340-I379 WeakPolarHBondContact CA-O 3.1Å; L340-I379 HydrophobicContact CD2-CB 3.93Å; L340-I379 HydrophobicContact CD2-CD1 4.14Å; L340-I379 HydrophobicContact CD2-CG1 4.49Å; V341-I379 PolarHBondContact N-O 2.93Å
380	L	98.9	Very high	97.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.8	170.4	-82.5	58.4	0	0	0	109.7	G206 M207 A208 W252 V341 A343 L378 L402	G206-L380 PolarHBondContact O-N 2.83Å; M207-L380 CarbonylContact C-O 3.31Å; M207-L380 WeakPolarHBondContact CA-O 3.4Å; M207-L380 HydrophobicContact CB-CB 4.25Å; M207-L380 HydrophobicContact CE-CB 4.28Å; M207-L380 HydrophobicContact CE-CD2 4.16Å; M207-L380 HydrophobicContact CG-CB 3.78Å; M207-L380 HydrophobicContact SD-CB 4.25Å; M207-L380 HydrophobicContact SD-CD2 4.09Å; A208-L380 PolarHBondContact N-O 3.36Å; W252-L380 HydrophobicContact CH2-CD2 4.06Å; W252-L380 HydrophobicContact CH2-CG 4.48Å; W252-L380 HydrophobicContact CZ2-CD2 4.03Å; W252-L380 HydrophobicContact CZ2-CG 4.47Å; V341-L380 HydrophobicContact CB-CD1 4.05Å; V341-L380 HydrophobicContact CB-CG 3.98Å; V341-L380 HydrophobicContact CG1-CG 4.4Å; V341-L380 HydrophobicContact CG2-CD1 3.81Å; V341-L380 HydrophobicContact CG2-CG 4.28Å; A343-L380 HydrophobicContact CB-CB 4.06Å; A343-L380 HydrophobicContact CB-CD2 4.48Å; A343-L380 HydrophobicContact CB-CG 4.11Å; L378-L380 HydrophobicContact CD1-CD1 4.18Å; L378-L380 HydrophobicContact CD2-CD1 4.13Å; L378-L380 HydrophobicContact CG-CD1 3.83Å; L380-L402 HydrophobicContact CD1-CD1 4.34Å; L380-L402 HydrophobicContact CD1-CD2 4.25Å; L380-L402 HydrophobicContact CD2-CD1 4.28Å
381	S	98.8	Very high	97.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	117.3	174.4	177.7	0	0	0	0	107.6	I210 V341 A343 E383	I210-S381 WeakPolarHBondContact CD1-OG 3.35Å; V341-S381 PolarHBondContact O-N 3.34Å; A343-S381 WeakPolarHBondContact CA-O 3.31Å; A343-S381 VanDerWaalsContact CB-O 3.28Å; A343-S381 WeakPolarHBondContact CB-O 3.43Å; A343-S381 PolarHBondContact N-O 2.74Å; S381-E383 PolarHBondContact O-N 3.46Å
382	L	98.9	Very high	97.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	128.4	-178.9	178.1	60.2	0	0	0	111.1	L112 I115 A208 I209 I210 F345 L391 V395	L112-L382 HydrophobicContact CD2-CD2 3.64Å; I115-L382 HydrophobicContact CD1-CD2 3.57Å; A208-L382 WeakPolarHBondContact O-CB 3.28Å; A208-L382 PolarHBondContact O-N 3.49Å; I209-L382 HydrophobicContact CG2-CD2 4.15Å; I210-L382 HydrophobicContact CG1-CB 4.3Å; F345-L382 HydrophobicContact CD2-CD1 3.87Å; F345-L382 HydrophobicContact CE2-CD1 4.14Å; L382-L391 HydrophobicContact CD1-CD1 3.96Å; L382-V395 HydrophobicContact CD1-CG2 4.47Å
383	E	98.8	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.			trans	-112.7	-111.4	175.2	-56.6	-67.2	154.5	0	0	109.9	R111 P213 G214 H215 A342 A343 S381	R111-E383 PolarHBondContact NH2-O 3.02Å; P213-E383 HydrophobicContact CB-CB 4.42Å; G214-E383 PolarHBondContact N-OE2 2.91Å; H215-E383 HydrophobicContact CB-CG 4.39Å; H215-E383 IonicContact CD2-OE2 3.54Å; H215-E383 PolarHBondContact CD2-OE2 3.48Å; H215-E383 VanDerWaalsContact CD2-OE2 3.23Å; H215-E383 IonicContact CG-OE2 3.37Å; H215-E383 PolarHBondContact N-OE2 3.32Å; A342-E383 HydrophobicContact CB-CG 3.78Å; A343-E383 PolarHBondContact O-N 2.79Å; S381-E383 PolarHBondContact O-N 3.46Å
384	G	97.3	Very high	97.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.			trans	-81.2	-157.5	179.2	0	0	0	0	0	116.1	R111 D253 F345 Y386	R111-G384 VanDerWaalsContact NH2-C 3.28Å; R111-G384 PolarHBondContact NH2-O 2.97Å; D253-G384 WeakPolarHBondContact OD2-CA 3.36Å; D253-G384 PolarHBondContact OD2-N 2.8Å; F345-G384 PolarHBondContact N-O 3Å; G384-Y386 WeakPolarHBondContact CA-OH 3.48Å
385	G	98.1	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.102	C	C	.	.			trans	96.1	117.4	-168.2	0	0	0	0	0	113.1	R111 D346	R111-G385 PolarHBondContact NE-O 3.07Å; R111-G385 PolarHBondContact NH2-O 3.38Å; D346-G385 VanDerWaalsContact N-CA 3.32Å; D346-G385 PolarHBondContact OD2-N 2.62Å; D346-G385 VanDerWaalsContact OD2-N 3.1Å
386	Y	98.1	Very high	97.9	Very high	21 Å²	21	20.5 Å²	20.5	8%	0.082	9%	0.093	C	C	.	.			trans	-131.7	-16.9	-165	-49.6	-71.7	0	0	0	114	P106 Y225 D346 D351 K353 G384 L388	P106-Y386 HydrophobicContact CB-CD1 3.82Å; P106-Y386 HydrophobicContact CB-CG 4.07Å; P106-Y386 WeakPolarHBondContact O-CD1 3.38Å; Y225-Y386 HydrophobicContact CD2-CE1 4.11Å; Y225-Y386 AromaticContact CE2-CE1 3.87Å; Y225-Y386 HydrophobicContact CE2-CE1 3.87Å; Y225-Y386 AromaticContact CE2-CZ 3.78Å; D346-Y386 HydrophobicContact CB-CD2 4.01Å; D346-Y386 HydrophobicContact CB-CE2 4.07Å; D346-Y386 WeakPolarHBondContact OD2-CE2 3.42Å; D351-Y386 WeakPolarHBondContact OD2-CA 3.35Å; D351-Y386 PolarHBondContact OD2-N 3.27Å; K353-Y386 HydrophobicContact CB-CD2 4.01Å; K353-Y386 HydrophobicContact CB-CE2 4.3Å; K353-Y386 HydrophobicContact CG-CD2 3.5Å; K353-Y386 VanDerWaalsContact CG-CD2 3.5Å; K353-Y386 HydrophobicContact CG-CE2 3.92Å; K353-Y386 HydrophobicContact CG-CG 4.27Å; G384-Y386 WeakPolarHBondContact CA-OH 3.48Å; Y386-L388 PolarHBondContact O-N 2.81Å
387	N	98.3	Very high	98.1	Very high	52 Å²	52	20.5 Å²	20.5	28%	0.278	9%	0.093	S	C	.	.			trans	-75.8	104.9	158.7	179.8	-36.9	0	0	0	109.2	G350 D351 R389 A390 L391	G350-N387 WeakPolarHBondContact O-CB 3.5Å; G350-N387 PolarHBondContact O-ND2 3.13Å; D351-N387 PolarHBondContact OD2-N 3.09Å; N387-R389 PolarHBondContact O-N 3.03Å; N387-R389 VanDerWaalsContact O-N 3.14Å; N387-R389 PolarHBondContact OD1-N 3.13Å; N387-R389 VanDerWaalsContact OD1-N 3.13Å; N387-A390 HydrophobicContact CB-CB 4.06Å; N387-A390 PolarHBondContact O-N 3.46Å; N387-A390 PolarHBondContact OD1-N 2.76Å; N387-L391 VanDerWaalsContact O-CB 3.24Å; N387-L391 WeakPolarHBondContact O-CB 3.33Å; N387-L391 PolarHBondContact O-N 3.39Å
388	L	98.3	Very high	98.2	Very high	70 Å²	70	18 Å²	18	37%	0.366	8%	0.082	S	C	.	.	H	α-helix	trans	-51.6	-38.3	-174.7	-60.2	-179	0	0	0	114.2	E110 R111 A114 Y386 A392	E110-L388 HydrophobicContact CB-CD1 3.87Å; E110-L388 HydrophobicContact CB-CD2 3.99Å; R111-L388 HydrophobicContact CB-CD2 4.46Å; R111-L388 HydrophobicContact CG-CD2 4Å; A114-L388 HydrophobicContact CB-CB 3.92Å; Y386-L388 PolarHBondContact O-N 2.81Å; L388-A392 WeakPolarHBondContact O-CB 3.37Å; L388-A392 PolarHBondContact O-N 2.73Å
389	R	97.3	Very high	98.1	Very high	171 Å²	171	17.9 Å²	17.9	65%	0.645	8%	0.082	S	C	*	.	H	α-helix	trans	-73.3	-50.7	179.9	178.6	177.8	171.5	-162.2	-11.3	111.1	N387 L391 A392 E393	N387-R389 PolarHBondContact O-N 3.03Å; N387-R389 VanDerWaalsContact O-N 3.14Å; N387-R389 PolarHBondContact OD1-N 3.13Å; N387-R389 VanDerWaalsContact OD1-N 3.13Å; R389-L391 VanDerWaalsContact C-N 3.33Å; R389-L391 PolarHBondContact O-N 2.94Å; R389-A392 PolarHBondContact O-N 3.34Å; R389-E393 HydrophobicContact CG-CG 4.41Å; R389-E393 IonicContact CZ-OE1 2.76Å; R389-E393 IonicContact NE-OE1 2.72Å; R389-E393 PolarHBondContact NE-OE1 2.94Å; R389-E393 IonicContact NE-OE2 3.3Å; R389-E393 IonicContact NH2-OE1 3.65Å; R389-E393 PolarHBondContact NH2-OE1 2.56Å; R389-E393 IonicContact NH2-OE2 2.74Å; R389-E393 WeakPolarHBondContact O-CG 3.46Å; R389-E393 PolarHBondContact O-N 2.67Å
390	A	96.9	Very high	98	Very high	9 Å²	9	18.3 Å²	18.3	7%	0.074	8%	0.083	C	C	.	.	H	α-helix	trans	-60.7	-45.7	179.9	0	0	0	0	0	110.7	L348 N387 A392 E393 G394	L348-A390 HydrophobicContact CB-CB 3.96Å; L348-A390 VanDerWaalsContact CD1-C 3.5Å; L348-A390 HydrophobicContact CD1-CB 4.07Å; L348-A390 WeakPolarHBondContact CD1-O 3.34Å; N387-A390 HydrophobicContact CB-CB 4.06Å; N387-A390 PolarHBondContact O-N 3.46Å; N387-A390 PolarHBondContact OD1-N 2.76Å; A390-A392 VanDerWaalsContact C-N 3.33Å; A390-A392 PolarHBondContact O-N 3.02Å; A390-E393 PolarHBondContact O-N 3.21Å; A390-G394 PolarHBondContact O-N 3.14Å
391	L	98.6	Very high	97.9	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-48.9	-52.3	172.4	171.4	64.4	0	0	0	111.9	R111 I115 F345 L382 N387 R389 G394 V395	R111-L391 HydrophobicContact CB-CD2 3.75Å; R111-L391 HydrophobicContact CG-CD2 4.07Å; I115-L391 HydrophobicContact CD1-CD1 4.07Å; I115-L391 HydrophobicContact CD1-CD2 4.02Å; I115-L391 HydrophobicContact CD1-CG 3.92Å; I115-L391 HydrophobicContact CG1-CD2 4.26Å; I115-L391 HydrophobicContact CG1-CG 3.96Å; F345-L391 HydrophobicContact CB-CD1 3.86Å; F345-L391 HydrophobicContact CD2-CD1 4.04Å; F345-L391 HydrophobicContact CG-CD1 4.29Å; L382-L391 HydrophobicContact CD1-CD1 3.96Å; N387-L391 VanDerWaalsContact O-CB 3.24Å; N387-L391 WeakPolarHBondContact O-CB 3.33Å; N387-L391 PolarHBondContact O-N 3.39Å; R389-L391 VanDerWaalsContact C-N 3.33Å; R389-L391 PolarHBondContact O-N 2.94Å; L391-G394 PolarHBondContact O-N 2.79Å; L391-V395 HydrophobicContact CD1-CG2 4.13Å; L391-V395 WeakPolarHBondContact O-CB 3.21Å; L391-V395 VanDerWaalsContact O-CG2 3.25Å; L391-V395 WeakPolarHBondContact O-CG2 3.29Å; L391-V395 PolarHBondContact O-N 3.08Å
392	A	98.4	Very high	97.8	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.033	9%	0.085	C	C	.	.	H	α-helix	trans	-65.4	-44.9	-178.8	0	0	0	0	0	112.4	A114 Q118 L388 R389 A390 G394 V395 S396	A114-A392 HydrophobicContact CB-CB 4.44Å; A114-A392 WeakPolarHBondContact O-CB 3.43Å; Q118-A392 HydrophobicContact CB-CB 3.84Å; Q118-A392 HydrophobicContact CG-CB 4.31Å; L388-A392 WeakPolarHBondContact O-CB 3.37Å; L388-A392 PolarHBondContact O-N 2.73Å; R389-A392 PolarHBondContact O-N 3.34Å; A390-A392 VanDerWaalsContact C-N 3.33Å; A390-A392 PolarHBondContact O-N 3.02Å; A392-G394 PolarHBondContact O-N 3.48Å; A392-V395 PolarHBondContact O-N 2.92Å; A392-S396 WeakPolarHBondContact O-CB 3.43Å; A392-S396 PolarHBondContact O-N 2.96Å
393	E	97.2	Very high	97.6	Very high	46 Å²	46	20.3 Å²	20.3	22%	0.215	9%	0.094	C	C	.	.	H	α-helix	trans	-62	-40.4	176.9	-69.9	173.4	159.9	0	0	112.1	P360 R389 A390 A397	P360-E393 HydrophobicContact CB-CB 4.45Å; P360-E393 HydrophobicContact CG-CB 3.83Å; R389-E393 HydrophobicContact CG-CG 4.41Å; R389-E393 IonicContact CZ-OE1 2.76Å; R389-E393 IonicContact NE-OE1 2.72Å; R389-E393 PolarHBondContact NE-OE1 2.94Å; R389-E393 IonicContact NE-OE2 3.3Å; R389-E393 IonicContact NH2-OE1 3.65Å; R389-E393 PolarHBondContact NH2-OE1 2.56Å; R389-E393 IonicContact NH2-OE2 2.74Å; R389-E393 WeakPolarHBondContact O-CG 3.46Å; R389-E393 PolarHBondContact O-N 2.67Å; A390-E393 PolarHBondContact O-N 3.21Å; E393-A397 WeakPolarHBondContact O-CB 3.38Å; E393-A397 PolarHBondContact O-N 3.07Å
394	G	97.9	Very high	97.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-70.6	-39.7	177.6	0	0	0	0	0	114.4	F345 A390 L391 A392 A397 S398	F345-G394 VanDerWaalsContact CE1-C 3.43Å; F345-G394 WeakPolarHBondContact CE1-O 3.48Å; A390-G394 PolarHBondContact O-N 3.14Å; L391-G394 PolarHBondContact O-N 2.79Å; A392-G394 PolarHBondContact O-N 3.48Å; G394-A397 PolarHBondContact O-N 3.24Å; G394-S398 PolarHBondContact O-N 3.3Å; G394-S398 PolarHBondContact O-OG 2.87Å
395	V	98.7	Very high	97.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63	-46.7	172.9	167.6	0	0	0	0	110.2	I115 M207 I209 F345 L382 L391 A392 A397 S398 L399	I115-V395 HydrophobicContact CD1-CG2 3.97Å; I115-V395 HydrophobicContact CG1-CB 4.35Å; I115-V395 HydrophobicContact CG1-CG1 4.47Å; I115-V395 HydrophobicContact CG1-CG2 4.12Å; I115-V395 HydrophobicContact CG2-CB 4.38Å; I115-V395 HydrophobicContact CG2-CG1 3.68Å; M207-V395 HydrophobicContact CE-CB 4.32Å; M207-V395 HydrophobicContact CE-CG1 3.87Å; M207-V395 HydrophobicContact CE-CG2 3.96Å; M207-V395 HydrophobicContact SD-CG1 4.12Å; I209-V395 HydrophobicContact CD1-CG1 3.69Å; F345-V395 HydrophobicContact CD2-CG2 3.68Å; F345-V395 HydrophobicContact CE2-CG2 3.48Å; F345-V395 VanDerWaalsContact CE2-CG2 3.48Å; F345-V395 HydrophobicContact CG-CG2 4.33Å; F345-V395 HydrophobicContact CZ-CG2 3.98Å; L382-V395 HydrophobicContact CD1-CG2 4.47Å; L391-V395 HydrophobicContact CD1-CG2 4.13Å; L391-V395 WeakPolarHBondContact O-CB 3.21Å; L391-V395 VanDerWaalsContact O-CG2 3.25Å; L391-V395 WeakPolarHBondContact O-CG2 3.29Å; L391-V395 PolarHBondContact O-N 3.08Å; A392-V395 PolarHBondContact O-N 2.92Å; V395-A397 PolarHBondContact O-N 2.78Å; V395-S398 PolarHBondContact O-N 3.41Å; V395-L399 WeakPolarHBondContact O-CB 3.48Å; V395-L399 PolarHBondContact O-N 2.77Å
396	S	97.9	Very high	96.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-57.6	-48.1	173.7	-97.6	0	0	0	0	112.4	Q118 E122 A392 S398 L399 H400	Q118-S396 WeakPolarHBondContact CG-OG 3.35Å; E122-S396 WeakPolarHBondContact OE2-CB 3.39Å; E122-S396 PolarHBondContact OE2-OG 2.91Å; A392-S396 WeakPolarHBondContact O-CB 3.43Å; A392-S396 PolarHBondContact O-N 2.96Å; S396-S398 VanDerWaalsContact C-N 3.33Å; S396-S398 PolarHBondContact O-N 3.41Å; S396-L399 PolarHBondContact O-N 3.21Å; S396-L399 VanDerWaalsContact O-N 3.14Å; S396-H400 WeakPolarHBondContact O-CB 3.45Å; S396-H400 PolarHBondContact O-CD2 3.28Å; S396-H400 PolarHBondContact O-N 3.44Å
397	A	97.3	Very high	96.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.4	-38.6	-179.1	0	0	0	0	0	112.8	P360 A364 E393 G394 V395 T401 W474	P360-A397 HydrophobicContact CB-CB 3.74Å; P360-A397 VanDerWaalsContact O-CB 3.23Å; P360-A397 WeakPolarHBondContact O-CB 3.37Å; A364-A397 HydrophobicContact CB-CB 4.31Å; E393-A397 WeakPolarHBondContact O-CB 3.38Å; E393-A397 PolarHBondContact O-N 3.07Å; G394-A397 PolarHBondContact O-N 3.24Å; V395-A397 PolarHBondContact O-N 2.78Å; A397-T401 PolarHBondContact O-N 3.26Å; A397-T401 PolarHBondContact O-OG1 2.88Å; A397-W474 HydrophobicContact CB-CZ2 4.02Å
398	S	98.4	Very high	96.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66	-43.5	172.3	-57.7	0	0	0	0	112	F345 G394 V395 S396 T401 L402	F345-S398 WeakPolarHBondContact CE1-OG 3.21Å; G394-S398 PolarHBondContact O-N 3.3Å; G394-S398 PolarHBondContact O-OG 2.87Å; V395-S398 PolarHBondContact O-N 3.41Å; S396-S398 VanDerWaalsContact C-N 3.33Å; S396-S398 PolarHBondContact O-N 3.41Å; S398-T401 PolarHBondContact O-N 3.49Å; S398-L402 WeakPolarHBondContact O-CG 3.14Å; S398-L402 PolarHBondContact O-N 3.06Å
399	L	98	Very high	95.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69.2	-38.1	-178.1	-168.4	65.6	0	0	0	112.7	T86 L88 L119 L124 M207 V395 S396 T401 L402 L403	T86-L399 HydrophobicContact CG2-CD1 3.9Å; L88-L399 HydrophobicContact CD1-CD2 4.47Å; L119-L399 HydrophobicContact CD1-CD2 4.14Å; L119-L399 HydrophobicContact CD2-CD2 3.64Å; L124-L399 HydrophobicContact CB-CD2 4.03Å; L124-L399 HydrophobicContact CD1-CB 4.39Å; L124-L399 HydrophobicContact CD1-CD2 4.22Å; M207-L399 HydrophobicContact CB-CD1 4.22Å; V395-L399 WeakPolarHBondContact O-CB 3.48Å; V395-L399 PolarHBondContact O-N 2.77Å; S396-L399 PolarHBondContact O-N 3.21Å; S396-L399 VanDerWaalsContact O-N 3.14Å; L399-T401 VanDerWaalsContact C-N 3.32Å; L399-T401 PolarHBondContact O-N 3.46Å; L399-L402 HydrophobicContact CD1-CD1 4.22Å; L399-L402 PolarHBondContact O-N 3.3Å; L399-L403 HydrophobicContact CG-CD1 4.3Å; L399-L403 WeakPolarHBondContact O-CB 3.11Å; L399-L403 WeakPolarHBondContact O-CG 3.32Å; L399-L403 PolarHBondContact O-N 3.44Å
400	H	96.4	Very high	95.4	Very high	10 Å²	10	11.5 Å²	11.5	5%	0.046	7%	0.066	C	C	.	.	H	α-helix	trans	-52.7	-49	168.4	-92.6	-73	0	0	0	111.3	E122 S396 L403 G404 D405 W474	E122-H400 IonicContact OE2-NE2 3.09Å; S396-H400 WeakPolarHBondContact O-CB 3.45Å; S396-H400 PolarHBondContact O-CD2 3.28Å; S396-H400 PolarHBondContact O-N 3.44Å; H400-L403 PolarHBondContact O-N 2.68Å; H400-G404 PolarHBondContact O-N 2.4Å; H400-D405 HydrophobicContact CB-CB 4.34Å; H400-D405 IonicContact CE1-OD2 2.87Å; H400-D405 IonicContact CG-OD2 3.74Å; H400-D405 IonicContact ND1-OD2 3.28Å; H400-D405 PolarHBondContact ND1-OD2 3.19Å; H400-D405 WeakPolarHBondContact O-CB 3.46Å; H400-D405 PolarHBondContact O-N 3.06Å; H400-W474 HydrophobicContact CB-CG 4.46Å; H400-W474 AromaticContact CD2-CD2 3.56Å; H400-W474 AromaticContact CD2-CE2 3.47Å; H400-W474 VanDerWaalsContact CD2-CE2 3.47Å; H400-W474 AromaticContact CD2-CE3 3.96Å; H400-W474 AromaticContact CD2-CG 3.97Å; H400-W474 AromaticContact CD2-CZ2 3.81Å; H400-W474 AromaticContact CD2-NE1 3.79Å; H400-W474 AromaticContact CE1-CD1 3.99Å; H400-W474 AromaticContact CE1-CD2 3.66Å; H400-W474 AromaticContact CE1-CG 3.46Å; H400-W474 VanDerWaalsContact CE1-CG 3.46Å; H400-W474 AromaticContact CG-CD1 3.58Å; H400-W474 AromaticContact CG-CD2 3.87Å; H400-W474 AromaticContact CG-CE2 3.72Å; H400-W474 AromaticContact CG-CG 3.79Å; H400-W474 AromaticContact CG-NE1 3.52Å; H400-W474 AromaticContact ND1-CD1 3.53Å; H400-W474 AromaticContact ND1-CD2 3.92Å; H400-W474 AromaticContact ND1-CG 3.47Å; H400-W474 AromaticContact ND1-NE1 3.97Å; H400-W474 AromaticContact NE2-CD2 3.45Å; H400-W474 AromaticContact NE2-CE2 3.9Å; H400-W474 AromaticContact NE2-CE3 3.54Å; H400-W474 AromaticContact NE2-CG 3.79Å
401	T	96.3	Very high	94.4	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.018	7%	0.07	C	C	.	.	H	α-helix	trans	-64.2	-43.5	176.8	-64.3	0	0	0	0	112.3	A364 T367 H368 M371 A397 S398 L399 L403 G404	A364-T401 WeakPolarHBondContact CB-OG1 3.26Å; A364-T401 PolarHBondContact O-OG1 3.18Å; T367-T401 HydrophobicContact CG2-CG2 3.73Å; H368-T401 HydrophobicContact CB-CG2 3.74Å; M371-T401 WeakPolarHBondContact CE-O 3.4Å; M371-T401 HydrophobicContact SD-CG2 3.8Å; M371-T401 VanDerWaalsContact SD-O 3.41Å; A397-T401 PolarHBondContact O-N 3.26Å; A397-T401 PolarHBondContact O-OG1 2.88Å; S398-T401 PolarHBondContact O-N 3.49Å; L399-T401 VanDerWaalsContact C-N 3.32Å; L399-T401 PolarHBondContact O-N 3.46Å; T401-L403 VanDerWaalsContact C-N 3.27Å; T401-L403 PolarHBondContact O-N 3.33Å; T401-G404 WeakPolarHBondContact O-CA 3.45Å; T401-G404 PolarHBondContact O-N 3.33Å
402	L	97.3	Very high	93.1	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-57.9	-39.9	176.3	-70.4	179	0	0	0	112.2	T86 N205 M207 T367 M371 L378 L380 S398 L399 G404	T86-L402 HydrophobicContact CG2-CB 3.7Å; T86-L402 HydrophobicContact CG2-CD1 4.04Å; T86-L402 VanDerWaalsContact OG1-C 3.29Å; T86-L402 PolarHBondContact OG1-O 3.31Å; T86-L402 VanDerWaalsContact OG1-O 3.11Å; N205-L402 HydrophobicContact CB-CD2 4.17Å; N205-L402 PolarHBondContact ND2-O 3.27Å; M207-L402 HydrophobicContact CB-CD1 4.13Å; T367-L402 HydrophobicContact CG2-CD2 3.73Å; T367-L402 HydrophobicContact CG2-CG 3.96Å; M371-L402 HydrophobicContact SD-CD2 4.27Å; L378-L402 HydrophobicContact CD2-CD2 3.75Å; L378-L402 HydrophobicContact CG-CD2 4.25Å; L380-L402 HydrophobicContact CD1-CD1 4.34Å; L380-L402 HydrophobicContact CD1-CD2 4.25Å; L380-L402 HydrophobicContact CD2-CD1 4.28Å; S398-L402 WeakPolarHBondContact O-CG 3.14Å; S398-L402 PolarHBondContact O-N 3.06Å; L399-L402 HydrophobicContact CD1-CD1 4.22Å; L399-L402 PolarHBondContact O-N 3.3Å; L402-G404 PolarHBondContact O-N 3.37Å
403	L	94.9	Very high	91.7	Very high	37 Å²	37	15.9 Å²	15.9	19%	0.194	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-8.7	175.7	-73.2	165.9	0	0	0	113.7	T86 L124 R127 L399 H400 T401	T86-L403 PolarHBondContact OG1-N 3.07Å; L124-L403 HydrophobicContact CD2-CD1 4.02Å; R127-L403 HydrophobicContact CB-CD1 3.95Å; R127-L403 HydrophobicContact CB-CD2 4.05Å; R127-L403 WeakPolarHBondContact O-CD2 3.01Å; L399-L403 HydrophobicContact CG-CD1 4.3Å; L399-L403 WeakPolarHBondContact O-CB 3.11Å; L399-L403 WeakPolarHBondContact O-CG 3.32Å; L399-L403 PolarHBondContact O-N 3.44Å; H400-L403 PolarHBondContact O-N 2.68Å; T401-L403 VanDerWaalsContact C-N 3.27Å; T401-L403 PolarHBondContact O-N 3.33Å
404	G	92.1	Very high	90.9	Very high	17 Å²	17	14.6 Å²	14.6	18%	0.175	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	19	177.4	0	0	0	0	0	115	H400 T401 L402 R480	H400-G404 PolarHBondContact O-N 2.4Å; T401-G404 WeakPolarHBondContact O-CA 3.45Å; T401-G404 PolarHBondContact O-N 3.33Å; L402-G404 PolarHBondContact O-N 3.37Å; G404-R480 PolarHBondContact O-NE 3.13Å; G404-R480 PolarHBondContact O-NH2 3.17Å
405	D	93.1	Very high	90.5	Very high	31 Å²	31	15 Å²	15	17%	0.166	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-70.1	155.5	168.9	-66.7	-22.4	0	0	0	110.8	R127 H400	R127-D405 IonicContact CZ-OD1 3.26Å; R127-D405 IonicContact CZ-OD2 2.67Å; R127-D405 VanDerWaalsContact CZ-OD2 3.3Å; R127-D405 IonicContact NH1-OD1 3.89Å; R127-D405 IonicContact NH1-OD2 2.97Å; R127-D405 PolarHBondContact NH1-OD2 3.1Å; R127-D405 IonicContact NH2-OD1 2.7Å; R127-D405 PolarHBondContact NH2-OD1 3.2Å; R127-D405 IonicContact NH2-OD2 3.27Å; R127-D405 PolarHBondContact NH2-OD2 3.37Å; H400-D405 HydrophobicContact CB-CB 4.34Å; H400-D405 IonicContact CE1-OD2 2.87Å; H400-D405 IonicContact CG-OD2 3.74Å; H400-D405 IonicContact ND1-OD2 3.28Å; H400-D405 PolarHBondContact ND1-OD2 3.19Å; H400-D405 WeakPolarHBondContact O-CB 3.46Å; H400-D405 PolarHBondContact O-N 3.06Å
406	P	91.3	Very high	90.2	Very high	12 Å²	12	15.4 Å²	15.4	8%	0.078	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-62.5	142.8	172.3	25.6	-34	0	0	0	111.2	P475 L599 S771	P406-P475 HydrophobicContact CG-CG 4.01Å; P406-L599 HydrophobicContact CB-CD1 3.94Å; P406-L599 HydrophobicContact CB-CD2 4.01Å; P406-L599 HydrophobicContact CG-CD1 3.9Å; P406-L599 HydrophobicContact CG-CD2 4.2Å; P406-S771 WeakPolarHBondContact CB-O 3.34Å
407	C	91.9	Very high	90	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.02	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-60	142.4	168.9	-66.9	0	0	0	0	110.3	Q365 H368 S771	Q365-C407 VanDerWaalsContact NE2-CB 3.33Å; H368-C407 VanDerWaalsContact CB-SG 3.55Å; C407-S771 WeakPolarHBondContact O-CA 3.3Å; C407-S771 WeakPolarHBondContact O-CB 3.24Å; C407-S771 PolarHBondContact O-OG 3.35Å
408	P	91.6	Very high	89.9	Confident	7 Å²	7	25.8 Å²	25.8	5%	0.045	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-63.1	158	167.3	29.4	-36.8	0	0	0	111.3	A361 A364 Q365 L472	A361-P408 HydrophobicContact CB-CB 4.17Å; A361-P408 HydrophobicContact CB-CG 3.54Å; A364-P408 HydrophobicContact CB-CG 4.17Å; Q365-P408 PolarHBondContact NE2-O 2.68Å; P408-L472 HydrophobicContact CB-CD2 3.55Å; P408-L472 HydrophobicContact CG-CD2 3.86Å
409	M	90.1	Very high	89.8	Confident	50 Å²	50	26.5 Å²	26.5	25%	0.246	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-60	142.2	167	-68.4	-64.5	-61	0	0	109.1	E411 N731 P732 E733 S771	M409-E411 PolarHBondContact O-N 3.5Å; M409-N731 WeakPolarHBondContact CE-OD1 3.47Å; M409-P732 WeakPolarHBondContact CE-O 3.01Å; M409-E733 HydrophobicContact CE-CG 4.31Å; M409-S771 PolarHBondContact N-OG 3.05Å; M409-S771 VanDerWaalsContact N-OG 3.09Å
410	L	89.3	Confident	89.7	Confident	9 Å²	9	26.5 Å²	26.5	5%	0.047	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-66.1	130.1	172.1	-71.1	-180	0	0	0	110.4	D316 I320 A361 Q365 P413 Y728 N731	D316-L410 HydrophobicContact CB-CD2 3.94Å; I320-L410 HydrophobicContact CD1-CD1 3.73Å; I320-L410 HydrophobicContact CD1-CD2 4.35Å; A361-L410 HydrophobicContact CB-CD2 4.29Å; Q365-L410 HydrophobicContact CG-CD2 3.9Å; Q365-L410 HydrophobicContact CG-CG 4.43Å; L410-P413 HydrophobicContact CB-CB 4.34Å; L410-P413 WeakPolarHBondContact O-CD 3.47Å; L410-Y728 HydrophobicContact CD1-CD1 3.76Å; L410-Y728 HydrophobicContact CD1-CE1 4.34Å; L410-N731 PolarHBondContact O-ND2 2.72Å
411	E	76.5	Confident	89.7	Confident	37 Å²	37	27.2 Å²	27.2	17%	0.173	15%	0.148	C	C	.	.	S	Bend	trans	-81	-31.5	176.2	-64.2	170.6	-159.7	0	0	111.9	T359 M409 P413 L469	T359-E411 HydrophobicContact CG2-CB 4.4Å; M409-E411 PolarHBondContact O-N 3.5Å; E411-P413 WeakPolarHBondContact O-CD 3.39Å; E411-L469 WeakPolarHBondContact OE2-CD2 3.34Å
412	S	70.4	Confident	89.6	Confident	11 Å²	11	29.5 Å²	29.5	8%	0.077	17%	0.167	C	C	.	.	S	Bend	trans	-111	52.2	175.9	77	0	0	0	0	113.3	D316	D316-S412 VanDerWaalsContact CG-OG 3.3Å; D316-S412 PolarHBondContact OD2-OG 2.71Å
413	P	69.5	Low	89.6	Confident	57 Å²	57	29.5 Å²	29.5	37%	0.37	17%	0.168	S	C	.	.			trans	-66.7	148	-176.7	33.2	-37.1	0	0	0	111.5	L410 E411 N731	L410-P413 HydrophobicContact CB-CB 4.34Å; L410-P413 WeakPolarHBondContact O-CD 3.47Å; E411-P413 WeakPolarHBondContact O-CD 3.39Å; P413-N731 HydrophobicContact CB-CB 3.57Å; P413-N731 WeakPolarHBondContact CB-ND2 3.43Å; P413-N731 HydrophobicContact CG-CB 4.31Å; P413-N731 WeakPolarHBondContact CG-ND2 3.2Å
414	G	79.9	Confident	89.8	Confident	20 Å²	20	27.8 Å²	27.8	21%	0.206	16%	0.158	C	C	.	.	S	Bend	trans	151.7	-148.2	179.5	0	0	0	0	0	111.3	A317	A317-G414 WeakPolarHBondContact CB-O 3.36Å
415	A	88.7	Confident	89.9	Confident	9 Å²	9	27.4 Å²	27.4	7%	0.074	15%	0.153	C	C	.	.			trans	-114	155	-177.2	0	0	0	0	0	112.9	E729 R832	A415-E729 HydrophobicContact CB-CG 4.44Å; A415-R832 HydrophobicContact CB-CB 3.37Å
416	P	94.2	Very high	90.1	Very high	8 Å²	8	27.2 Å²	27.2	5%	0.052	15%	0.154	C	C	.	.			trans	-54.2	142.3	168.2	25.1	-37.7	0	0	0	111.3	D318 A321 A420 Q421	D318-P416 WeakPolarHBondContact OD1-CA 3.31Å; A321-P416 HydrophobicContact CB-CB 3.79Å; A321-P416 HydrophobicContact CB-CG 3.66Å; P416-A420 HydrophobicContact CB-CB 4.18Å; P416-Q421 HydrophobicContact CB-CG 4.03Å; P416-Q421 HydrophobicContact CG-CG 3.88Å; P416-Q421 PolarHBondContact O-NE2 3.12Å
417	C	93.9	Very high	90.3	Very high	37 Å²	37	26.7 Å²	26.7	25%	0.25	15%	0.15	C	C	.	.			trans	-69.6	164	176.4	73.4	0	0	0	0	112	D318 S419 A420 Q421	D318-C417 PolarHBondContact OD1-N 2.98Å; D318-C417 PolarHBondContact OD1-SG 2.83Å; C417-S419 PolarHBondContact O-N 2.89Å; C417-S419 VanDerWaalsContact O-N 3.1Å; C417-A420 PolarHBondContact O-N 2.93Å; C417-A420 VanDerWaalsContact O-N 3.13Å; C417-A420 PolarHBondContact SG-N 3.34Å; C417-Q421 WeakPolarHBondContact O-CG 3.37Å; C417-Q421 PolarHBondContact O-N 3.38Å
418	R	93.9	Very high	90.5	Very high	181 Å²	181	27 Å²	27	68%	0.683	15%	0.152	S	C	*	.	H	α-helix	trans	-55.1	-31.6	178.6	-69.2	-176.2	-178.6	169	3.3	112.8	A422 E457	R418-A422 WeakPolarHBondContact O-CB 3.16Å; R418-A422 PolarHBondContact O-N 3.13Å; R418-E457 IonicContact CZ-OE1 3.7Å; R418-E457 VanDerWaalsContact CZ-OE1 3.23Å; R418-E457 IonicContact NH1-OE1 2.74Å; R418-E457 PolarHBondContact NH1-OE1 3.42Å; R418-E457 IonicContact NH1-OE2 2.69Å; R418-E457 IonicContact NH2-OE1 3.73Å; R418-E457 PolarHBondContact NH2-OE1 3.45Å
419	S	96.4	Very high	90.7	Very high	14 Å²	14	30.1 Å²	30.1	10%	0.098	17%	0.166	C	C	.	.	H	α-helix	trans	-76.8	-37.4	178.5	-171.8	0	0	0	0	113.6	Q311 C417 S423	Q311-S419 VanDerWaalsContact CD-CB 3.46Å; C417-S419 PolarHBondContact O-N 2.89Å; C417-S419 VanDerWaalsContact O-N 3.1Å; S419-S423 PolarHBondContact O-N 2.83Å; S419-S423 VanDerWaalsContact O-N 3.1Å; S419-S423 PolarHBondContact O-OG 3.38Å
420	A	96.7	Very high	90.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-70.4	-42.7	175.3	0	0	0	0	0	110.8	W309 M314 D318 P416 C417 A422 S423 V424	W309-A420 HydrophobicContact CE3-CB 4.22Å; W309-A420 HydrophobicContact CH2-CB 3.86Å; W309-A420 HydrophobicContact CZ3-CB 3.6Å; M314-A420 HydrophobicContact CE-CB 4.31Å; M314-A420 HydrophobicContact SD-CB 4Å; D318-A420 HydrophobicContact CB-CB 3.73Å; D318-A420 WeakPolarHBondContact OD1-CB 3.24Å; P416-A420 HydrophobicContact CB-CB 4.18Å; C417-A420 PolarHBondContact O-N 2.93Å; C417-A420 VanDerWaalsContact O-N 3.13Å; C417-A420 PolarHBondContact SG-N 3.34Å; A420-A422 VanDerWaalsContact C-N 3.28Å; A420-A422 PolarHBondContact O-N 3.39Å; A420-S423 PolarHBondContact O-N 3Å; A420-V424 WeakPolarHBondContact O-CB 3.5Å; A420-V424 VanDerWaalsContact O-CG2 3.32Å; A420-V424 WeakPolarHBondContact O-CG2 3.35Å; A420-V424 PolarHBondContact O-N 3.3Å
421	Q	95.2	Very high	91.3	Very high	26 Å²	26	28.4 Å²	28.4	12%	0.121	16%	0.16	C	C	.	.	H	α-helix	trans	-52.7	-47.2	172.8	-68.6	179.1	16.3	0	0	111	P416 C417 V424 S425 R832 V836	P416-Q421 HydrophobicContact CB-CG 4.03Å; P416-Q421 HydrophobicContact CG-CG 3.88Å; P416-Q421 PolarHBondContact O-NE2 3.12Å; C417-Q421 WeakPolarHBondContact O-CG 3.37Å; C417-Q421 PolarHBondContact O-N 3.38Å; Q421-V424 PolarHBondContact O-N 3.35Å; Q421-S425 WeakPolarHBondContact O-CB 3.5Å; Q421-S425 PolarHBondContact O-N 3.06Å; Q421-S425 PolarHBondContact O-OG 2.9Å; Q421-S425 VanDerWaalsContact O-OG 3.1Å; Q421-R832 PolarHBondContact NE2-O 2.8Å; Q421-V836 HydrophobicContact CG-CG2 4.23Å
422	A	95.6	Very high	92.1	Very high	51 Å²	51	28.4 Å²	28.4	42%	0.421	16%	0.16	S	C	.	.	H	α-helix	trans	-61.8	-48.3	176.4	0	0	0	0	0	113	R418 A420 V424 S425 C426	R418-A422 WeakPolarHBondContact O-CB 3.16Å; R418-A422 PolarHBondContact O-N 3.13Å; A420-A422 VanDerWaalsContact C-N 3.28Å; A420-A422 PolarHBondContact O-N 3.39Å; A422-V424 PolarHBondContact O-N 3.25Å; A422-S425 PolarHBondContact O-N 3.39Å; A422-C426 PolarHBondContact O-N 2.85Å; A422-C426 PolarHBondContact O-SG 2.83Å; A422-C426 VanDerWaalsContact O-SG 3.37Å
423	S	97.4	Very high	93.3	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-40.5	178.5	-71.7	0	0	0	0	112.8	P308 N310 S419 A420 C426 A427	P308-S423 VanDerWaalsContact O-CB 3.27Å; P308-S423 WeakPolarHBondContact O-CB 3.26Å; P308-S423 PolarHBondContact O-OG 3.25Å; N310-S423 PolarHBondContact ND2-OG 3.04Å; N310-S423 VanDerWaalsContact ND2-OG 3.09Å; S419-S423 PolarHBondContact O-N 2.83Å; S419-S423 VanDerWaalsContact O-N 3.1Å; S419-S423 PolarHBondContact O-OG 3.38Å; A420-S423 PolarHBondContact O-N 3Å; S423-C426 PolarHBondContact O-N 3.28Å; S423-A427 PolarHBondContact O-N 3.45Å
424	V	97.4	Very high	94.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66	-43.3	175.3	173.5	0	0	0	0	110.8	V307 W309 A322 H325 V326 A420 Q421 A422 C426 A427 L428 V836	V307-V424 HydrophobicContact CG1-CG2 4.09Å; W309-V424 HydrophobicContact CH2-CG2 4.18Å; W309-V424 HydrophobicContact CZ3-CG2 4.17Å; A322-V424 HydrophobicContact CB-CG2 3.99Å; H325-V424 HydrophobicContact CB-CG1 4Å; V326-V424 HydrophobicContact CG2-CG1 3.95Å; A420-V424 WeakPolarHBondContact O-CB 3.5Å; A420-V424 VanDerWaalsContact O-CG2 3.32Å; A420-V424 WeakPolarHBondContact O-CG2 3.35Å; A420-V424 PolarHBondContact O-N 3.3Å; Q421-V424 PolarHBondContact O-N 3.35Å; A422-V424 PolarHBondContact O-N 3.25Å; V424-C426 PolarHBondContact O-N 2.95Å; V424-A427 PolarHBondContact O-N 2.97Å; V424-L428 HydrophobicContact CG1-CD1 3.94Å; V424-L428 HydrophobicContact CG1-CG 4.43Å; V424-L428 WeakPolarHBondContact O-CB 3.42Å; V424-L428 WeakPolarHBondContact O-CD1 3.07Å; V424-L428 VanDerWaalsContact O-CG 3.25Å; V424-L428 WeakPolarHBondContact O-CG 3.37Å; V424-L428 PolarHBondContact O-N 2.85Å; V424-V836 HydrophobicContact CB-CG1 4.32Å; V424-V836 HydrophobicContact CG1-CG1 3.69Å
425	S	95.8	Very high	95.3	Very high	10 Å²	10	32.9 Å²	32.9	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-40.5	175.2	-73	0	0	0	0	113.1	Q421 A422 E429 M837	Q421-S425 WeakPolarHBondContact O-CB 3.5Å; Q421-S425 PolarHBondContact O-N 3.06Å; Q421-S425 PolarHBondContact O-OG 2.9Å; Q421-S425 VanDerWaalsContact O-OG 3.1Å; A422-S425 PolarHBondContact O-N 3.39Å; S425-E429 PolarHBondContact O-N 2.56Å; S425-M837 VanDerWaalsContact CB-O 3.29Å; S425-M837 WeakPolarHBondContact CB-O 3.47Å; S425-M837 PolarHBondContact OG-O 3.03Å
426	C	96.3	Very high	95.5	Very high	26 Å²	26	37.9 Å²	37.9	18%	0.176	20%	0.199	C	C	.	.	H	α-helix	trans	-68.8	-40.1	175.7	-67.7	0	0	0	0	112.8	W292 A422 S423 V424 E429 A430	W292-C426 HydrophobicContact CD2-CB 3.57Å; W292-C426 HydrophobicContact CE3-CB 4.07Å; W292-C426 HydrophobicContact CG-CB 3.75Å; W292-C426 HydrophobicContact CZ2-CB 4.19Å; A422-C426 PolarHBondContact O-N 2.85Å; A422-C426 PolarHBondContact O-SG 2.83Å; A422-C426 VanDerWaalsContact O-SG 3.37Å; S423-C426 PolarHBondContact O-N 3.28Å; V424-C426 PolarHBondContact O-N 2.95Å; C426-E429 PolarHBondContact O-N 2.99Å; C426-A430 PolarHBondContact O-N 3.32Å; C426-A430 VanDerWaalsContact O-N 3.09Å
427	A	96.8	Very high	95.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-43.1	174.2	0	0	0	0	0	111.7	W292 V307 S423 V424 E429 A430 L431	W292-A427 HydrophobicContact CB-CB 4.34Å; V307-A427 HydrophobicContact CG2-CB 4.22Å; S423-A427 PolarHBondContact O-N 3.45Å; V424-A427 PolarHBondContact O-N 2.97Å; A427-E429 PolarHBondContact O-N 3.17Å; A427-A430 PolarHBondContact O-N 3.48Å; A427-L431 WeakPolarHBondContact O-CB 3.47Å; A427-L431 WeakPolarHBondContact O-CD1 3.32Å; A427-L431 WeakPolarHBondContact O-CG 3.31Å; A427-L431 PolarHBondContact O-N 2.79Å; A427-L431 VanDerWaalsContact O-N 3.13Å
428	L	95.7	Very high	95.2	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.052	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-45.5	174.1	-77.1	164.2	0	0	0	112.6	H325 V326 V424 L431 E432 L438 R440 V836	H325-L428 HydrophobicContact CB-CD1 4.47Å; H325-L428 WeakPolarHBondContact O-CD2 3.22Å; V326-L428 HydrophobicContact CG2-CD2 4.17Å; V326-L428 HydrophobicContact CG2-CG 4.07Å; V424-L428 HydrophobicContact CG1-CD1 3.94Å; V424-L428 HydrophobicContact CG1-CG 4.43Å; V424-L428 WeakPolarHBondContact O-CB 3.42Å; V424-L428 WeakPolarHBondContact O-CD1 3.07Å; V424-L428 VanDerWaalsContact O-CG 3.25Å; V424-L428 WeakPolarHBondContact O-CG 3.37Å; V424-L428 PolarHBondContact O-N 2.85Å; L428-L431 PolarHBondContact O-N 2.66Å; L428-E432 WeakPolarHBondContact O-CB 3.46Å; L428-E432 PolarHBondContact O-N 3.35Å; L428-L438 HydrophobicContact CD2-CD2 3.95Å; L428-R440 VanDerWaalsContact CD1-NH2 3.28Å; L428-V836 HydrophobicContact CD1-CG1 3.56Å
429	E	94.4	Very high	94.8	Very high	73 Å²	73	31 Å²	31	34%	0.341	18%	0.175	S	C	.	.	H	α-helix	trans	-67.4	-37	-179.2	178.5	155.8	-127.4	0	0	112.9	S425 C426 A427 L431 K838	S425-E429 PolarHBondContact O-N 2.56Å; C426-E429 PolarHBondContact O-N 2.99Å; A427-E429 PolarHBondContact O-N 3.17Å; E429-L431 VanDerWaalsContact C-N 3.26Å; E429-L431 PolarHBondContact O-N 2.83Å; E429-K838 WeakPolarHBondContact OE1-CE 3.41Å; E429-K838 IonicContact OE1-NZ 3.52Å
430	A	95.6	Very high	94	Very high	20 Å²	20	32.9 Å²	32.9	17%	0.165	18%	0.18	C	C	.	.	H	α-helix	trans	-69.7	-22	173.8	0	0	0	0	0	113.5	W292 T295 C426 A427 F434	W292-A430 HydrophobicContact CE3-CB 3.9Å; W292-A430 HydrophobicContact CZ3-CB 4.28Å; W292-A430 WeakPolarHBondContact O-CB 3.33Å; T295-A430 HydrophobicContact CG2-CB 3.98Å; C426-A430 PolarHBondContact O-N 3.32Å; C426-A430 VanDerWaalsContact O-N 3.09Å; A427-A430 PolarHBondContact O-N 3.48Å; A430-F434 VanDerWaalsContact O-CE2 3.3Å; A430-F434 WeakPolarHBondContact O-CE2 3.25Å
431	L	96.5	Very high	92.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-104.6	-20.8	-175.1	-66.3	171.1	0	0	0	114.9	T295 I305 V326 A427 L428 E429 P433 F434 W435 L438	T295-L431 HydrophobicContact CG2-CD2 3.89Å; I305-L431 HydrophobicContact CB-CD1 4.17Å; I305-L431 HydrophobicContact CD1-CD1 3.84Å; I305-L431 HydrophobicContact CD1-CD2 4.49Å; I305-L431 HydrophobicContact CG1-CD1 3.67Å; I305-L431 HydrophobicContact CG1-CD2 3.9Å; I305-L431 HydrophobicContact CG1-CG 4.45Å; I305-L431 HydrophobicContact CG2-CD1 3.64Å; V326-L431 HydrophobicContact CG1-CD1 3.8Å; A427-L431 WeakPolarHBondContact O-CB 3.47Å; A427-L431 WeakPolarHBondContact O-CD1 3.32Å; A427-L431 WeakPolarHBondContact O-CG 3.31Å; A427-L431 PolarHBondContact O-N 2.79Å; A427-L431 VanDerWaalsContact O-N 3.13Å; L428-L431 PolarHBondContact O-N 2.66Å; E429-L431 VanDerWaalsContact C-N 3.26Å; E429-L431 PolarHBondContact O-N 2.83Å; L431-P433 VanDerWaalsContact O-N 3.16Å; L431-F434 PolarHBondContact O-N 3.38Å; L431-W435 PolarHBondContact O-N 2.89Å; L431-L438 HydrophobicContact CB-CD1 3.49Å; L431-L438 VanDerWaalsContact CB-CD1 3.49Å; L431-L438 HydrophobicContact CD1-CD1 4.48Å
432	E	94.3	Very high	90.9	Very high	37 Å²	37	39.6 Å²	39.6	17%	0.173	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-32.3	173.7	-176.9	168.6	-140	0	0	114.4	L428 F434 V439 R440 K838	L428-E432 WeakPolarHBondContact O-CB 3.46Å; L428-E432 PolarHBondContact O-N 3.35Å; E432-F434 VanDerWaalsContact C-N 3.26Å; E432-F434 PolarHBondContact O-N 2.83Å; E432-V439 HydrophobicContact CG-CG2 4.44Å; E432-V439 WeakPolarHBondContact OE1-CA 3.47Å; E432-R440 PolarHBondContact OE1-N 2.89Å; E432-K838 IonicContact OE2-NZ 3.76Å; E432-K838 PolarHBondContact OE2-NZ 3.04Å
433	P	95.4	Very high	88.9	Confident	98 Å²	98	40.5 Å²	40.5	64%	0.636	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.1	174.4	-22.3	35.4	0	0	0	116.1	L431	L431-P433 VanDerWaalsContact O-N 3.16Å
434	F	96.4	Very high	86.2	Confident	75 Å²	75	46.1 Å²	46.1	33%	0.329	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-18.1	-170	-53.4	-68.2	0	0	0	114.6	Q301 A430 L431 E432	Q301-F434 HydrophobicContact CB-CE1 4.43Å; Q301-F434 HydrophobicContact CG-CE1 3.7Å; Q301-F434 HydrophobicContact CG-CE2 4.41Å; Q301-F434 HydrophobicContact CG-CZ 3.63Å; A430-F434 VanDerWaalsContact O-CE2 3.3Å; A430-F434 WeakPolarHBondContact O-CE2 3.25Å; L431-F434 PolarHBondContact O-N 3.38Å; E432-F434 VanDerWaalsContact C-N 3.26Å; E432-F434 PolarHBondContact O-N 2.83Å
435	W	95.4	Very high	83.4	Confident	10 Å²	10	50.5 Å²	50.5	4%	0.038	28%	0.281	C	S	.	.			trans	-132.3	114.6	-171.9	-61.4	100.8	0	0	0	111	L271 G302 Y303 V330 E333 F334 L431 V437 L438	L271-W435 HydrophobicContact CD1-CZ2 4.1Å; G302-W435 WeakPolarHBondContact O-CZ2 3.36Å; G302-W435 PolarHBondContact O-NE1 3.14Å; Y303-W435 HydrophobicContact CD1-CH2 4.18Å; Y303-W435 HydrophobicContact CD1-CZ2 4.17Å; Y303-W435 AromaticContact CE1-CH2 3.82Å; Y303-W435 HydrophobicContact CE1-CH2 3.82Å; Y303-W435 HydrophobicContact CE1-CZ2 4.16Å; Y303-W435 HydrophobicContact CG-CZ2 4.47Å; V330-W435 HydrophobicContact CB-CD2 4.35Å; V330-W435 HydrophobicContact CG1-CD2 3.56Å; V330-W435 VanDerWaalsContact CG1-CE2 3.41Å; V330-W435 HydrophobicContact CG1-CE3 3.81Å; V330-W435 HydrophobicContact CG1-CG 4.18Å; V330-W435 HydrophobicContact CG1-CH2 3.82Å; V330-W435 HydrophobicContact CG1-CZ2 3.56Å; V330-W435 HydrophobicContact CG1-CZ3 3.93Å; V330-W435 HydrophobicContact CG2-CB 4.23Å; V330-W435 HydrophobicContact CG2-CD2 4.11Å; V330-W435 HydrophobicContact CG2-CG 3.85Å; E333-W435 HydrophobicContact CB-CE3 4.05Å; E333-W435 HydrophobicContact CB-CZ3 4.3Å; E333-W435 HydrophobicContact CG-CE3 3.97Å; E333-W435 HydrophobicContact CG-CZ3 4.3Å; F334-W435 HydrophobicContact CB-CH2 3.87Å; F334-W435 HydrophobicContact CB-CZ3 3.91Å; F334-W435 HydrophobicContact CD2-CH2 4.01Å; F334-W435 HydrophobicContact CG-CH2 4.3Å; L431-W435 PolarHBondContact O-N 2.89Å; W435-V437 PolarHBondContact O-N 3.17Å; W435-L438 HydrophobicContact CB-CB 4.33Å; W435-L438 HydrophobicContact CB-CD1 4.04Å; W435-L438 HydrophobicContact CB-CG 3.93Å; W435-L438 HydrophobicContact CG-CD1 4.43Å; W435-L438 PolarHBondContact O-N 2.95Å; W435-L438 VanDerWaalsContact O-N 3.09Å
436	E	91.4	Very high	80.4	Confident	114 Å²	114	58.9 Å²	58.9	53%	0.533	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-65.8	-29.1	-174.4	-61.9	-166.1	146.1	0	0	112.2	E333 L438 V439 P811	E333-E436 PolarHBondContact OE1-N 3.07Å; E333-E436 PolarHBondContact OE2-N 2.92Å; E333-E436 VanDerWaalsContact OE2-N 3.08Å; E436-L438 PolarHBondContact O-N 3.33Å; E436-V439 WeakPolarHBondContact O-CG2 3.41Å; E436-V439 PolarHBondContact O-N 3.26Å; E436-P811 HydrophobicContact CB-CB 3.75Å; E436-P811 HydrophobicContact CB-CG 4.41Å; E436-P811 VanDerWaalsContact OE2-CD 3.27Å; E436-P811 WeakPolarHBondContact OE2-CD 3.29Å; E436-P811 WeakPolarHBondContact OE2-CG 3.44Å
437	V	90.4	Very high	77.5	Confident	15 Å²	15	60.5 Å²	60.5	9%	0.091	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-68.5	-16.8	176.3	78.4	0	0	0	0	113.5	P329 E333 W435 R721 P812	P329-V437 VanDerWaalsContact C-CG1 3.49Å; P329-V437 HydrophobicContact CB-CG1 3.74Å; P329-V437 HydrophobicContact CB-CG2 4Å; P329-V437 WeakPolarHBondContact O-CG1 3.45Å; E333-V437 HydrophobicContact CB-CB 4.44Å; E333-V437 HydrophobicContact CB-CG1 4.12Å; E333-V437 WeakPolarHBondContact OE2-CB 3.43Å; E333-V437 WeakPolarHBondContact OE2-CG1 3.36Å; E333-V437 PolarHBondContact OE2-N 2.75Å; W435-V437 PolarHBondContact O-N 3.17Å; V437-R721 PolarHBondContact O-NH2 2.93Å; V437-P812 HydrophobicContact CG2-CG 4.45Å
438	L	91.6	Very high	74.6	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.026	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-89.3	-16	177.8	-66.8	-171.7	0	0	0	113.5	P329 V330 L428 L431 W435 E436 R440 R721	P329-L438 HydrophobicContact CB-CD2 4.02Å; V330-L438 HydrophobicContact CG2-CD1 3.68Å; V330-L438 HydrophobicContact CG2-CD2 4.03Å; V330-L438 HydrophobicContact CG2-CG 3.87Å; L428-L438 HydrophobicContact CD2-CD2 3.95Å; L431-L438 HydrophobicContact CB-CD1 3.49Å; L431-L438 VanDerWaalsContact CB-CD1 3.49Å; L431-L438 HydrophobicContact CD1-CD1 4.48Å; W435-L438 HydrophobicContact CB-CB 4.33Å; W435-L438 HydrophobicContact CB-CD1 4.04Å; W435-L438 HydrophobicContact CB-CG 3.93Å; W435-L438 HydrophobicContact CG-CD1 4.43Å; W435-L438 PolarHBondContact O-N 2.95Å; W435-L438 VanDerWaalsContact O-N 3.09Å; E436-L438 PolarHBondContact O-N 3.33Å; L438-R440 PolarHBondContact O-N 3.49Å; L438-R721 VanDerWaalsContact C-NH2 3.28Å; L438-R721 PolarHBondContact O-NH2 2.91Å
439	V	86.1	Confident	71.6	Confident	60 Å²	60	72.1 Å²	72.1	36%	0.364	40%	0.402	S	S	.	.			trans	-54.4	135	-175.9	176.4	0	0	0	0	112.2	E432 E436 R721	E432-V439 HydrophobicContact CG-CG2 4.44Å; E432-V439 WeakPolarHBondContact OE1-CA 3.47Å; E436-V439 WeakPolarHBondContact O-CG2 3.41Å; E436-V439 PolarHBondContact O-N 3.26Å; V439-R721 PolarHBondContact O-NH1 3.41Å; V439-R721 PolarHBondContact O-NH2 3.11Å
440	R	79.9	Confident	68.9	Low	55 Å²	55	75.2 Å²	75.2	21%	0.208	42%	0.418	C	S	.	.			trans	-116.7	136.1	179.9	-73.6	163.7	171.7	-124.3	-5	110.6	L428 E432 L438 T442 V836	L428-R440 VanDerWaalsContact CD1-NH2 3.28Å; E432-R440 PolarHBondContact OE1-N 2.89Å; L438-R440 PolarHBondContact O-N 3.49Å; R440-T442 PolarHBondContact O-N 3.43Å; R440-V836 PolarHBondContact NH1-O 3.25Å; R440-V836 PolarHBondContact NH2-O 3.02Å
441	S	69.6	Low	66	Low	36 Å²	36	82.7 Å²	82.7	25%	0.252	45%	0.449	S	S	.	.			trans	-65	129.1	173.3	-58.4	0	0	0	0	109.8	E443	S441-E443 PolarHBondContact O-N 2.94Å
442	T	56.4	Low	63.1	Low	131 Å²	131	90.1 Å²	90.1	80%	0.804	48%	0.484	S	S	*	.			trans	-59.5	120.6	-179.5	48.3	0	0	0	0	111.3	R440 T444	R440-T442 PolarHBondContact O-N 3.43Å; T442-T444 PolarHBondContact O-N 3.14Å; T442-T444 VanDerWaalsContact O-N 3.11Å
443	E	54.6	Low	60.2	Low	69 Å²	69	94.8 Å²	94.8	32%	0.322	51%	0.511	S	S	.	.			trans	-67.4	107.2	179.8	-65.2	-179.7	-123.1	0	0	110.7	S441 V445 R828 M837	S441-E443 PolarHBondContact O-N 2.94Å; E443-V445 VanDerWaalsContact C-N 3.35Å; E443-V445 PolarHBondContact O-N 3.31Å; E443-R828 IonicContact OE2-NH1 3.96Å; E443-M837 VanDerWaalsContact CD-CE 3.41Å; E443-M837 WeakPolarHBondContact OE1-CE 3.46Å; E443-M837 WeakPolarHBondContact OE2-CE 3.48Å
444	T	39.7	Very low	57.2	Low	122 Å²	122	96.3 Å²	96.3	75%	0.748	51%	0.513	S	S	*	.			trans	-76.9	89.7	168	48.8	0	0	0	0	109	T442 E446	T442-T444 PolarHBondContact O-N 3.14Å; T442-T444 VanDerWaalsContact O-N 3.11Å; T444-E446 PolarHBondContact O-N 2.99Å
445	V	39	Very low	54.3	Low	92 Å²	92	98.2 Å²	98.2	56%	0.558	53%	0.531	S	S	*	.			trans	-68	82.7	173.4	-173.7	0	0	0	0	109.5	E443 G447	E443-V445 VanDerWaalsContact C-N 3.35Å; E443-V445 PolarHBondContact O-N 3.31Å; V445-G447 PolarHBondContact O-N 2.72Å; V445-G447 VanDerWaalsContact O-N 3.13Å
446	E	33.8	Very low	51.4	Low	186 Å²	186	104.5 Å²	104.5	87%	0.869	56%	0.56	S	S	*	*			trans	-63	108.8	151.8	-72.4	-150.1	154.8	0	0	106	T444 D448	T444-E446 PolarHBondContact O-N 2.99Å; E446-D448 PolarHBondContact O-N 3.19Å
447	G	35.2	Very low	48.9	Very low	59 Å²	59	106 Å²	106	61%	0.608	57%	0.568	S	S	*	*			trans	-40.2	108.5	-158.5	0	0	0	0	0	114.8	V445 N449	V445-G447 PolarHBondContact O-N 2.72Å; V445-G447 VanDerWaalsContact O-N 3.13Å; G447-N449 PolarHBondContact O-N 2.85Å
448	D	35.2	Very low	46	Very low	93 Å²	93	111 Å²	111	50%	0.497	59%	0.594	S	S	.	*			trans	-51.2	108.3	161.5	-89.6	-32.3	0	0	0	106.4	E446 M450 R828	E446-D448 PolarHBondContact O-N 3.19Å; D448-M450 HydrophobicContact CB-CE 4.18Å; D448-M450 HydrophobicContact CB-CG 4.02Å; D448-M450 PolarHBondContact O-N 2.74Å; D448-R828 IonicContact OD2-NH2 2.79Å; D448-R828 PolarHBondContact OD2-NH2 3.27Å
449	N	32.7	Very low	43.5	Very low	162 Å²	162	119 Å²	119	87%	0.866	63%	0.631	S	S	*	*			trans	-70.6	75.5	158.4	-75.6	-49.4	0	0	0	106.1	G447 E451	G447-N449 PolarHBondContact O-N 2.85Å; N449-E451 PolarHBondContact O-N 3.27Å
450	M	38.2	Very low	41.2	Very low	138 Å²	138	124.4 Å²	124.4	68%	0.68	65%	0.652	S	S	*	*			trans	-62.3	86.4	152.2	-60.7	-172.2	-174.3	0	0	105.7	D448 E452	D448-M450 HydrophobicContact CB-CE 4.18Å; D448-M450 HydrophobicContact CB-CG 4.02Å; D448-M450 PolarHBondContact O-N 2.74Å; M450-E452 PolarHBondContact O-N 2.91Å
451	E	33.7	Very low	39.2	Very low	177 Å²	177	128 Å²	128	83%	0.827	67%	0.671	S	S	*	*				-50.8	101.9	128.2	-65.4	-170.6	157	0	0	104.1	N449 D453	N449-E451 PolarHBondContact O-N 3.27Å; E451-D453 PolarHBondContact O-N 3.2Å
452	E	36.7	Very low	37.2	Very low	159 Å²	159	128.9 Å²	128.9	74%	0.743	69%	0.686	S	S	*	*			trans	-57.5	96.2	165.4	-73.1	176.9	156.2	0	0	104.2	M450 N454	M450-E452 PolarHBondContact O-N 2.91Å; E452-N454 PolarHBondContact O-N 3.13Å; E452-N454 PolarHBondContact O-ND2 2.9Å
453	D	33.7	Very low	35.9	Very low	135 Å²	135	128.6 Å²	128.6	72%	0.722	69%	0.686	S	S	*	*			trans	-67.8	92.9	179.2	-135.4	-14	0	0	0	105.1	E451 V455	E451-D453 PolarHBondContact O-N 3.2Å; D453-V455 PolarHBondContact O-N 3.47Å
454	N	31.6	Very low	34.9	Very low	129 Å²	129	132 Å²	132	69%	0.69	70%	0.696	S	S	*	*			trans	-73.5	47.3	175.2	-79.2	-112.6	0	0	0	108.6	E452 E456	E452-N454 PolarHBondContact O-N 3.13Å; E452-N454 PolarHBondContact O-ND2 2.9Å; N454-E456 PolarHBondContact O-N 2.88Å
455	V	34.6	Very low	34.3	Very low	116 Å²	116	134.5 Å²	134.5	70%	0.703	70%	0.7	S	S	*	*			trans	-55.1	102.7	141.4	-180	0	0	0	0	104	D453 E457	D453-V455 PolarHBondContact O-N 3.47Å; V455-E457 PolarHBondContact O-N 3.23Å
456	E	34.8	Very low	34	Very low	141 Å²	141	133.7 Å²	133.7	66%	0.659	70%	0.697	S	S	*	*			trans	-52.4	138.9	-172.1	-56.5	173.7	142.3	0	0	109.4	N454 N458	N454-E456 PolarHBondContact O-N 2.88Å; E456-N458 HydrophobicContact CB-CB 3.96Å; E456-N458 WeakPolarHBondContact CB-ND2 3.37Å; E456-N458 VanDerWaalsContact CD-ND2 3.33Å; E456-N458 PolarHBondContact O-N 3.45Å; E456-N458 PolarHBondContact OE2-ND2 3.2Å
457	E	39.2	Very low	34	Very low	146 Å²	146	128.4 Å²	128.4	68%	0.682	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	49.8	167.7	-66.4	-172.3	132	0	0	110.1	R418 V455	R418-E457 IonicContact CZ-OE1 3.7Å; R418-E457 VanDerWaalsContact CZ-OE1 3.23Å; R418-E457 IonicContact NH1-OE1 2.74Å; R418-E457 PolarHBondContact NH1-OE1 3.42Å; R418-E457 IonicContact NH1-OE2 2.69Å; R418-E457 IonicContact NH2-OE1 3.73Å; R418-E457 PolarHBondContact NH2-OE1 3.45Å; V455-E457 PolarHBondContact O-N 3.23Å
458	N	30.1	Very low	33.9	Very low	119 Å²	119	132.5 Å²	132.5	64%	0.636	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-4.9	175.1	-82.5	-25.3	0	0	0	111.7	E456 E460	E456-N458 HydrophobicContact CB-CB 3.96Å; E456-N458 WeakPolarHBondContact CB-ND2 3.37Å; E456-N458 VanDerWaalsContact CD-ND2 3.33Å; E456-N458 PolarHBondContact O-N 3.45Å; E456-N458 PolarHBondContact OE2-ND2 3.2Å; N458-E460 PolarHBondContact O-N 2.96Å
459	E	39.1	Very low	33.9	Very low	174 Å²	174	133.4 Å²	133.4	81%	0.813	70%	0.695	S	S	*	*			trans	-72.5	73.7	145.9	-71.7	-173	-180	0	0	108	E461	E459-E461 PolarHBondContact O-N 3.08Å
460	E	36.6	Very low	34.2	Very low	173 Å²	173	129.8 Å²	129.8	81%	0.808	68%	0.68	S	S	*	*			trans	-50.3	126.7	143	-68.7	-174.8	137.2	0	0	105.8	N458 G462	N458-E460 PolarHBondContact O-N 2.96Å; E460-G462 PolarHBondContact O-N 2.82Å
461	E	39.7	Very low	34.8	Very low	131 Å²	131	130.4 Å²	130.4	61%	0.612	69%	0.685	S	S	*	*			trans	-65.7	84.3	167.1	-75.2	-174.5	179.6	0	0	106.6	E459 R832	E459-E461 PolarHBondContact O-N 3.08Å; E461-R832 IonicContact OE1-CZ 2.77Å; E461-R832 IonicContact OE1-NH1 2.8Å; E461-R832 PolarHBondContact OE1-NH1 3.37Å
462	G	27	Very low	35.9	Very low	54 Å²	54	123.9 Å²	123.9	56%	0.557	66%	0.656	S	S	*	*			trans	-50.8	132.1	177.6	0	0	0	0	0	108.1	E460 W464	E460-G462 PolarHBondContact O-N 2.82Å; G462-W464 PolarHBondContact O-N 2.86Å
463	P	28.6	Very low	37	Very low	125 Å²	125	121.5 Å²	121.5	81%	0.812	65%	0.652	S	S	*	*			trans	-49.5	112.7	-152.9	17.6	-32.7	0	0	0	110.4	E465	P463-E465 PolarHBondContact O-N 3.5Å
464	W	34.2	Very low	38.6	Very low	140 Å²	140	116.8 Å²	116.8	53%	0.53	62%	0.624	S	S	.	*			trans	-55.9	100.8	-176.8	173.9	77.2	0	0	0	108.6	G462 P466 P467	G462-W464 PolarHBondContact O-N 2.86Å; W464-P466 HydrophobicContact CE3-CB 4.14Å; W464-P466 HydrophobicContact CH2-CB 4.06Å; W464-P466 HydrophobicContact CZ3-CB 3.75Å; W464-P466 VanDerWaalsContact O-CD 3.25Å; W464-P466 WeakPolarHBondContact O-CD 3.42Å; W464-P466 VanDerWaalsContact O-N 3.12Å; W464-P467 HydrophobicContact CZ2-CG 4.19Å
465	E	25.8	Very low	40	Very low	175 Å²	175	113.3 Å²	113.3	82%	0.818	61%	0.608	S	S	*	*			trans	-62.8	113.8	169.1	-70.5	-165.3	159.2	0	0	105.8	P463	P463-E465 PolarHBondContact O-N 3.5Å
466	P	33.2	Very low	41.1	Very low	76 Å²	76	114.3 Å²	114.3	49%	0.494	62%	0.615	S	S	.	*			trans	-59.7	135.1	-177.3	24.3	-33	0	0	0	108	W464 V468	W464-P466 HydrophobicContact CE3-CB 4.14Å; W464-P466 HydrophobicContact CH2-CB 4.06Å; W464-P466 HydrophobicContact CZ3-CB 3.75Å; W464-P466 VanDerWaalsContact O-CD 3.25Å; W464-P466 WeakPolarHBondContact O-CD 3.42Å; W464-P466 VanDerWaalsContact O-N 3.12Å; P466-V468 PolarHBondContact O-N 3.46Å
467	P	35.1	Very low	42.4	Very low	74 Å²	74	110.2 Å²	110.2	48%	0.481	60%	0.597	S	S	.	*			trans	-55.1	132.9	172.3	26.2	-33.1	0	0	0	107.6	W464 L469	W464-P467 HydrophobicContact CZ2-CG 4.19Å; P467-L469 PolarHBondContact O-N 2.93Å
468	V	32.4	Very low	43.3	Very low	145 Å²	145	112.9 Å²	112.9	88%	0.879	61%	0.609	S	S	*	*			trans	-45.4	111.3	-175.2	175.8	0	0	0	0	108.9	P466 P470	P466-V468 PolarHBondContact O-N 3.46Å; V468-P470 WeakPolarHBondContact O-CD 3.44Å
469	L	34.5	Very low	45	Very low	113 Å²	113	109.2 Å²	109.2	59%	0.592	59%	0.593	S	S	*	*			trans	-49.8	114.8	-164.4	-68.6	174	0	0	0	109.8	E411 P467 I471	E411-L469 WeakPolarHBondContact OE2-CD2 3.34Å; P467-L469 PolarHBondContact O-N 2.93Å; L469-I471 PolarHBondContact O-N 3.29Å
470	P	40.3	Very low	47.1	Very low	85 Å²	85	104 Å²	104	55%	0.552	57%	0.566	S	S	*	*			trans	-61.2	131.9	166.8	28	-31.7	0	0	0	106.4	V468 L472	V468-P470 WeakPolarHBondContact O-CD 3.44Å; P470-L472 PolarHBondContact O-N 3.42Å
471	I	49.5	Very low	50	Low	151 Å²	151	95.8 Å²	95.8	77%	0.774	53%	0.528	S	S	*	.			trans	-54.1	128.4	168.6	-61.9	171.5	0	0	0	106.3	L469 T473	L469-I471 PolarHBondContact O-N 3.29Å; I471-T473 WeakPolarHBondContact O-CG2 3.33Å; I471-T473 PolarHBondContact O-N 3Å
472	L	57.8	Low	52.8	Low	40 Å²	40	89.6 Å²	89.6	21%	0.209	50%	0.499	C	S	.	.			trans	-57.3	106.3	176.6	-76.6	158.9	0	0	0	108.6	P360 A361 P408 P470 W474	P360-L472 HydrophobicContact CB-CD1 4.05Å; P360-L472 HydrophobicContact CG-CD1 4.32Å; A361-L472 HydrophobicContact CB-CD2 4.41Å; P408-L472 HydrophobicContact CB-CD2 3.55Å; P408-L472 HydrophobicContact CG-CD2 3.86Å; P470-L472 PolarHBondContact O-N 3.42Å; L472-W474 HydrophobicContact CB-CE3 4.21Å; L472-W474 HydrophobicContact CB-CH2 3.48Å; L472-W474 VanDerWaalsContact CB-CH2 3.48Å; L472-W474 HydrophobicContact CB-CZ2 4.2Å; L472-W474 HydrophobicContact CB-CZ3 3.48Å; L472-W474 VanDerWaalsContact CB-CZ3 3.48Å; L472-W474 HydrophobicContact CD1-CH2 3.94Å; L472-W474 HydrophobicContact CG-CH2 4.18Å; L472-W474 WeakPolarHBondContact O-CZ3 3.37Å
473	T	58.4	Low	56.2	Low	109 Å²	109	87 Å²	87	67%	0.669	47%	0.472	S	S	*	.			trans	-100.9	110.7	-180	55.2	0	0	0	0	110	I471 P475	I471-T473 WeakPolarHBondContact O-CG2 3.33Å; I471-T473 PolarHBondContact O-N 3Å; T473-P475 VanDerWaalsContact O-CD 3.24Å; T473-P475 WeakPolarHBondContact O-CD 3.5Å
474	W	67.8	Low	59.5	Low	37 Å²	37	81.1 Å²	81.1	14%	0.14	43%	0.434	C	S	.	.			trans	-89.9	104.6	163.7	-65.8	-90.1	0	0	0	108.8	A397 H400 L472 V476	A397-W474 HydrophobicContact CB-CZ2 4.02Å; H400-W474 HydrophobicContact CB-CG 4.46Å; H400-W474 AromaticContact CD2-CD2 3.56Å; H400-W474 AromaticContact CD2-CE2 3.47Å; H400-W474 VanDerWaalsContact CD2-CE2 3.47Å; H400-W474 AromaticContact CD2-CE3 3.96Å; H400-W474 AromaticContact CD2-CG 3.97Å; H400-W474 AromaticContact CD2-CZ2 3.81Å; H400-W474 AromaticContact CD2-NE1 3.79Å; H400-W474 AromaticContact CE1-CD1 3.99Å; H400-W474 AromaticContact CE1-CD2 3.66Å; H400-W474 AromaticContact CE1-CG 3.46Å; H400-W474 VanDerWaalsContact CE1-CG 3.46Å; H400-W474 AromaticContact CG-CD1 3.58Å; H400-W474 AromaticContact CG-CD2 3.87Å; H400-W474 AromaticContact CG-CE2 3.72Å; H400-W474 AromaticContact CG-CG 3.79Å; H400-W474 AromaticContact CG-NE1 3.52Å; H400-W474 AromaticContact ND1-CD1 3.53Å; H400-W474 AromaticContact ND1-CD2 3.92Å; H400-W474 AromaticContact ND1-CG 3.47Å; H400-W474 AromaticContact ND1-NE1 3.97Å; H400-W474 AromaticContact NE2-CD2 3.45Å; H400-W474 AromaticContact NE2-CE2 3.9Å; H400-W474 AromaticContact NE2-CE3 3.54Å; H400-W474 AromaticContact NE2-CG 3.79Å; L472-W474 HydrophobicContact CB-CE3 4.21Å; L472-W474 HydrophobicContact CB-CH2 3.48Å; L472-W474 VanDerWaalsContact CB-CH2 3.48Å; L472-W474 HydrophobicContact CB-CZ2 4.2Å; L472-W474 HydrophobicContact CB-CZ3 3.48Å; L472-W474 VanDerWaalsContact CB-CZ3 3.48Å; L472-W474 HydrophobicContact CD1-CH2 3.94Å; L472-W474 HydrophobicContact CG-CH2 4.18Å; L472-W474 WeakPolarHBondContact O-CZ3 3.37Å; W474-V476 PolarHBondContact O-N 2.93Å
475	P	61.6	Low	62.5	Low	55 Å²	55	76.6 Å²	76.6	36%	0.357	42%	0.417	S	S	.	.			trans	-73.1	111	-176.3	29.7	-35.3	0	0	0	110.7	P406 T473 L477	P406-P475 HydrophobicContact CG-CG 4.01Å; T473-P475 VanDerWaalsContact O-CD 3.24Å; T473-P475 WeakPolarHBondContact O-CD 3.5Å; P475-L477 HydrophobicContact CB-CD1 4.42Å; P475-L477 HydrophobicContact CB-CG 4.18Å; P475-L477 HydrophobicContact CG-CD1 4.38Å; P475-L477 PolarHBondContact O-N 3.13Å
476	V	58	Low	66	Low	138 Å²	138	70.6 Å²	70.6	84%	0.836	39%	0.391	S	S	*	.			trans	-74.8	95.2	173.6	-177.1	0	0	0	0	109.2	W474	W474-V476 PolarHBondContact O-N 2.93Å
477	L	60.5	Low	69	Low	55 Å²	55	73 Å²	73	29%	0.288	40%	0.395	S	S	.	.			trans	-97	134.4	-175.3	-66	166.4	0	0	0	111.5	P475 S479 G596 L599	P475-L477 HydrophobicContact CB-CD1 4.42Å; P475-L477 HydrophobicContact CB-CG 4.18Å; P475-L477 HydrophobicContact CG-CD1 4.38Å; P475-L477 PolarHBondContact O-N 3.13Å; L477-S479 PolarHBondContact O-N 2.79Å; L477-G596 VanDerWaalsContact CD2-O 3.22Å; L477-G596 WeakPolarHBondContact CD2-O 3.17Å; L477-L599 HydrophobicContact CD1-CB 3.63Å; L477-L599 HydrophobicContact CD1-CD1 3.81Å; L477-L599 HydrophobicContact CD1-CG 4.3Å
478	Q	58.2	Low	72	Confident	201 Å²	201	71.6 Å²	71.6	94%	0.939	39%	0.388	S	S	*	.	S	Bend	trans	-70.9	-14.6	179.8	-67.4	-173.9	-7.1	0	0	113.9
479	S	66.1	Low	75.2	Confident	42 Å²	42	64.7 Å²	64.7	29%	0.294	35%	0.346	S	S	.	.			trans	-149.2	127.6	175.4	-74.5	0	0	0	0	109.2	L477 V598	L477-S479 PolarHBondContact O-N 2.79Å; S479-V598 WeakPolarHBondContact O-CA 3.44Å
480	R	84.5	Confident	78.2	Confident	64 Å²	64	61 Å²	61	24%	0.242	33%	0.325	C	S	.	.	S	Bend	trans	-80.6	-46.6	-174	-157.3	173.6	-168.9	-99.5	10.1	111.8	G404 L599 N600 L798 G800	G404-R480 PolarHBondContact O-NE 3.13Å; G404-R480 PolarHBondContact O-NH2 3.17Å; R480-L599 HydrophobicContact CG-CB 4.26Å; R480-L599 HydrophobicContact CG-CD2 3.97Å; R480-L599 WeakPolarHBondContact O-CA 3.5Å; R480-L599 WeakPolarHBondContact O-CB 3.45Å; R480-L599 PolarHBondContact O-N 2.82Å; R480-N600 PolarHBondContact O-N 3.5Å; R480-N600 VanDerWaalsContact O-N 3.07Å; R480-N600 PolarHBondContact O-OD1 2.96Å; R480-L798 PolarHBondContact NH1-O 3.28Å; R480-G800 VanDerWaalsContact NH1-CA 3.34Å
481	T	96.9	Very high	80.9	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.1	-167.5	-55.4	0	0	0	0	111.5	C523 L524 N600 L798 L799	T481-C523 CarbonylContact O-C 3.47Å; T481-C523 VanDerWaalsContact O-CA 3.25Å; T481-C523 WeakPolarHBondContact O-CA 3.23Å; T481-C523 WeakPolarHBondContact O-CB 3.45Å; T481-L524 PolarHBondContact O-N 3.31Å; T481-N600 CarbonylContact C-O 3.42Å; T481-N600 WeakPolarHBondContact CA-O 3.43Å; T481-N600 VanDerWaalsContact CA-OD1 3.29Å; T481-N600 WeakPolarHBondContact CA-OD1 3.36Å; T481-N600 VanDerWaalsContact CB-OD1 3.3Å; T481-N600 WeakPolarHBondContact CB-OD1 3.26Å; T481-N600 WeakPolarHBondContact CG2-OD1 3.43Å; T481-N600 PolarHBondContact OG1-OD1 3.37Å; T481-L798 HydrophobicContact CG2-CB 3.88Å; T481-L798 HydrophobicContact CG2-CD1 4.45Å; T481-L798 VanDerWaalsContact OG1-C 3.25Å; T481-L798 PolarHBondContact OG1-O 3.3Å; T481-L799 HydrophobicContact CG2-CD2 4.43Å; T481-L799 HydrophobicContact CG2-CG 4.45Å; T481-L799 WeakPolarHBondContact OG1-CA 3.49Å; T481-L799 PolarHBondContact OG1-N 2.9Å
482	G	98.1	Very high	83.2	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	143.1	170	0	0	0	0	0	112.1	L524 N600 G601 A602	G482-L524 WeakPolarHBondContact CA-O 3.32Å; G482-N600 PolarHBondContact N-O 2.77Å; G482-G601 CarbonylContact O-C 3.59Å; G482-G601 WeakPolarHBondContact O-CA 3.37Å; G482-A602 PolarHBondContact O-N 2.97Å
483	L	98.6	Very high	84.9	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.9	175	-179.5	59.4	0	0	0	109.5	M511 L514 A520 C523 L524 T525 L526 A602 V604	L483-M511 HydrophobicContact CD1-SD 4.38Å; L483-M511 HydrophobicContact CD2-CE 3.94Å; L483-M511 HydrophobicContact CD2-SD 4.27Å; L483-M511 HydrophobicContact CG-CE 4.49Å; L483-M511 HydrophobicContact CG-SD 4.49Å; L483-L514 HydrophobicContact CD1-CD1 3.99Å; L483-L514 HydrophobicContact CD2-CD1 4.15Å; L483-A520 HydrophobicContact CD2-CB 3.92Å; L483-C523 HydrophobicContact CB-CB 3.62Å; L483-C523 HydrophobicContact CD2-CB 4.29Å; L483-L524 PolarHBondContact N-O 2.67Å; L483-T525 WeakPolarHBondContact O-CA 3.25Å; L483-L526 PolarHBondContact O-N 3.16Å; L483-A602 WeakPolarHBondContact CA-O 3.26Å; L483-A602 HydrophobicContact CD1-CB 4.32Å; L483-V604 HydrophobicContact CD1-CG2 3.89Å
484	V	98.3	Very high	86.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.5	-178.3	-160.8	0	0	0	0	110.8	L526 P528 A585 L589 A602 V604	V484-L526 HydrophobicContact CG2-CB 3.97Å; V484-L526 HydrophobicContact CG2-CD1 3.88Å; V484-L526 HydrophobicContact CG2-CG 4.25Å; V484-P528 HydrophobicContact CG1-CB 3.74Å; V484-P528 HydrophobicContact CG1-CG 4.33Å; V484-A585 HydrophobicContact CG1-CB 3.72Å; V484-L589 HydrophobicContact CG2-CB 3.91Å; V484-L589 HydrophobicContact CG2-CD1 4.29Å; V484-L589 HydrophobicContact CG2-CD2 4.14Å; V484-L589 HydrophobicContact CG2-CG 4.33Å; V484-A602 PolarHBondContact N-O 2.83Å; V484-V604 PolarHBondContact O-N 3.26Å
485	Y	97.9	Very high	87.8	Confident	45 Å²	45	52.5 Å²	52.5	18%	0.176	28%	0.278	C	S	.	.			trans	-153.2	148.2	-178.6	167.2	-101.2	0	0	0	110.1	Q487 I507 M511 V604	Y485-Q487 HydrophobicContact CE1-CB 4.27Å; Y485-I507 HydrophobicContact CD2-CB 4.26Å; Y485-I507 HydrophobicContact CD2-CD1 4.36Å; Y485-I507 HydrophobicContact CE2-CB 3.88Å; Y485-I507 HydrophobicContact CE2-CD1 3.77Å; Y485-I507 HydrophobicContact CE2-CG1 3.95Å; Y485-M511 HydrophobicContact CD1-CE 4.16Å; Y485-M511 HydrophobicContact CD1-CG 3.8Å; Y485-M511 HydrophobicContact CD1-SD 4.32Å; Y485-M511 HydrophobicContact CD2-CG 3.28Å; Y485-M511 HydrophobicContact CD2-SD 4.06Å; Y485-M511 HydrophobicContact CE1-CG 4.02Å; Y485-M511 HydrophobicContact CE2-CB 4.36Å; Y485-M511 HydrophobicContact CE2-CG 3.5Å; Y485-M511 VanDerWaalsContact CE2-CG 3.5Å; Y485-M511 HydrophobicContact CG-CE 4.16Å; Y485-M511 HydrophobicContact CG-CG 3.43Å; Y485-M511 VanDerWaalsContact CG-CG 3.43Å; Y485-M511 HydrophobicContact CG-SD 3.77Å; Y485-V604 HydrophobicContact CD2-CB 4.34Å; Y485-V604 HydrophobicContact CD2-CG1 4.2Å
486	D	97.9	Very high	89.1	Confident	50 Å²	50	54.1 Å²	54.1	27%	0.267	28%	0.277	S	S	.	.			trans	-143.2	130	168	-160.3	-69.3	0	0	0	110.4	S488 M489 P528 L581	D486-S488 PolarHBondContact O-N 3.4Å; D486-S488 WeakPolarHBondContact OD1-CA 3.5Å; D486-S488 WeakPolarHBondContact OD1-CB 3.4Å; D486-S488 PolarHBondContact OD1-N 3.29Å; D486-S488 PolarHBondContact OD1-OG 3.32Å; D486-M489 HydrophobicContact CB-CE 3.92Å; D486-M489 VanDerWaalsContact N-CE 3.26Å; D486-M489 WeakPolarHBondContact O-CB 3.35Å; D486-M489 WeakPolarHBondContact O-CE 3.21Å; D486-M489 PolarHBondContact O-N 3.07Å; D486-P528 HydrophobicContact CB-CG 3.76Å; D486-L581 HydrophobicContact CB-CD2 3.82Å; D486-L581 HydrophobicContact CB-CG 4.49Å
487	Q	97.6	Very high	90.5	Very high	125 Å²	125	51.1 Å²	51.1	58%	0.584	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-65.7	-24.4	178.4	-162.4	-178.7	18.2	0	0	112.3	Y485 M489 M490	Y485-Q487 HydrophobicContact CE1-CB 4.27Å; Q487-M489 PolarHBondContact O-N 2.85Å; Q487-M490 HydrophobicContact CG-CG 4.32Å; Q487-M490 HydrophobicContact CG-SD 3.66Å; Q487-M490 WeakPolarHBondContact O-CB 3.49Å; Q487-M490 VanDerWaalsContact O-CG 3.24Å; Q487-M490 WeakPolarHBondContact O-CG 3.34Å; Q487-M490 PolarHBondContact O-N 3.01Å
488	S	97.8	Very high	91.7	Very high	46 Å²	46	53.6 Å²	53.6	32%	0.322	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-68	-17.4	178.7	71.4	0	0	0	0	113.7	D486 M490 N491 C578 L581	D486-S488 PolarHBondContact O-N 3.4Å; D486-S488 WeakPolarHBondContact OD1-CA 3.5Å; D486-S488 WeakPolarHBondContact OD1-CB 3.4Å; D486-S488 PolarHBondContact OD1-N 3.29Å; D486-S488 PolarHBondContact OD1-OG 3.32Å; S488-M490 PolarHBondContact O-N 2.96Å; S488-N491 WeakPolarHBondContact CA-ND2 3.46Å; S488-N491 WeakPolarHBondContact O-CB 3.33Å; S488-N491 PolarHBondContact O-N 3.49Å; S488-N491 VanDerWaalsContact O-N 3.08Å; S488-N491 PolarHBondContact O-ND2 2.84Å; S488-C578 PolarHBondContact O-SG 3.35Å; S488-L581 WeakPolarHBondContact OG-CD2 3.44Å
489	M	98.4	Very high	93	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-62.7	-17.8	166	-73.2	-175	-74.9	0	0	112.6	D486 Q487 N491 I507 L581 A582 V605 R606	D486-M489 HydrophobicContact CB-CE 3.92Å; D486-M489 VanDerWaalsContact N-CE 3.26Å; D486-M489 WeakPolarHBondContact O-CB 3.35Å; D486-M489 WeakPolarHBondContact O-CE 3.21Å; D486-M489 PolarHBondContact O-N 3.07Å; Q487-M489 PolarHBondContact O-N 2.85Å; M489-N491 PolarHBondContact O-N 2.76Å; M489-I507 HydrophobicContact CB-CD1 3.69Å; M489-L581 HydrophobicContact CG-CB 4.37Å; M489-L581 HydrophobicContact CG-CD2 4.04Å; M489-L581 HydrophobicContact CG-CG 4.18Å; M489-A582 HydrophobicContact SD-CB 3.98Å; M489-V605 HydrophobicContact CE-CB 4.31Å; M489-V605 HydrophobicContact CE-CG1 4.03Å; M489-V605 HydrophobicContact SD-CB 3.84Å; M489-V605 HydrophobicContact SD-CG1 3.96Å; M489-R606 HydrophobicContact CB-CG 4.14Å; M489-R606 WeakPolarHBondContact CB-O 3.42Å; M489-R606 WeakPolarHBondContact CG-O 3.44Å; M489-R606 PolarHBondContact O-NH1 3.23Å; M489-R606 PolarHBondContact SD-N 2.9Å
490	M	98.1	Very high	94.2	Very high	34 Å²	34	50.8 Å²	50.8	17%	0.167	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-68.8	-15.6	171.6	-63.6	-173.2	74.7	0	0	113.8	Q487 S488 H492 P504 I507 L508	Q487-M490 HydrophobicContact CG-CG 4.32Å; Q487-M490 HydrophobicContact CG-SD 3.66Å; Q487-M490 WeakPolarHBondContact O-CB 3.49Å; Q487-M490 VanDerWaalsContact O-CG 3.24Å; Q487-M490 WeakPolarHBondContact O-CG 3.34Å; Q487-M490 PolarHBondContact O-N 3.01Å; S488-M490 PolarHBondContact O-N 2.96Å; M490-H492 PolarHBondContact O-N 2.79Å; M490-P504 HydrophobicContact CB-CB 3.87Å; M490-P504 HydrophobicContact CE-CB 3.8Å; M490-P504 HydrophobicContact CG-CB 4.2Å; M490-P504 WeakPolarHBondContact O-CB 3.42Å; M490-P504 WeakPolarHBondContact O-CG 3.41Å; M490-I507 HydrophobicContact CG-CD1 3.87Å; M490-I507 HydrophobicContact CG-CG1 4.13Å; M490-L508 HydrophobicContact CE-CB 3.92Å; M490-L508 HydrophobicContact CE-CD2 3.78Å; M490-L508 HydrophobicContact CE-CG 4.45Å; M490-L508 HydrophobicContact SD-CB 3.98Å; M490-L508 HydrophobicContact SD-CD2 4.2Å; M490-L508 HydrophobicContact SD-CG 4.49Å
491	N	97.8	Very high	94.6	Very high	91 Å²	91	49.2 Å²	49.2	49%	0.487	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-70.1	-19	-178.8	-67.9	-56.9	0	0	0	113.5	S488 M489 C493 C572	S488-N491 WeakPolarHBondContact CA-ND2 3.46Å; S488-N491 WeakPolarHBondContact O-CB 3.33Å; S488-N491 PolarHBondContact O-N 3.49Å; S488-N491 VanDerWaalsContact O-N 3.08Å; S488-N491 PolarHBondContact O-ND2 2.84Å; M489-N491 PolarHBondContact O-N 2.76Å; N491-C493 PolarHBondContact O-N 3.32Å; N491-C572 PolarHBondContact O-SG 2.89Å
492	H	96.9	Very high	94.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.259	C	S	.	.			trans	-73.9	110.1	169.2	174.2	59.2	0	0	0	110.1	M490 E502 Y570 T575 C578 R606 F622	M490-H492 PolarHBondContact O-N 2.79Å; H492-E502 IonicContact CD2-OE2 2.75Å; H492-Y570 AromaticContact CD2-CZ 3.85Å; H492-Y570 PolarHBondContact CD2-OH 2.83Å; H492-Y570 VanDerWaalsContact CD2-OH 3.31Å; H492-Y570 AromaticContact CE1-CD2 3.89Å; H492-Y570 AromaticContact CE1-CE2 3.29Å; H492-Y570 WeakPolarHBondContact CE1-CE2 3.38Å; H492-Y570 AromaticContact CE1-CZ 3.56Å; H492-Y570 PolarHBondContact CE1-O 3.31Å; H492-Y570 AromaticContact ND1-CE2 3.78Å; H492-Y570 AromaticContact NE2-CE1 3.89Å; H492-Y570 AromaticContact NE2-CE2 3.52Å; H492-Y570 AromaticContact NE2-CZ 3.25Å; H492-Y570 PolarHBondContact NE2-OH 3.25Å; H492-T575 PolarHBondContact CE1-OG1 3.06Å; H492-T575 PolarHBondContact ND1-OG1 2.91Å; H492-C578 HydrophobicContact CB-CB 3.75Å; H492-C578 PolarHBondContact N-SG 2.95Å; H492-C578 VanDerWaalsContact N-SG 3.43Å; H492-R606 VanDerWaalsContact O-CZ 3.26Å; H492-R606 PolarHBondContact O-NH1 3.39Å; H492-R606 PolarHBondContact O-NH2 3.19Å; H492-F622 AromaticContact CE1-CE2 3.6Å; H492-F622 AromaticContact NE2-CE2 3.74Å
493	C	94.4	Very high	94.4	Very high	42 Å²	42	50.8 Å²	50.8	28%	0.284	27%	0.268	S	S	.	.			trans	-149.5	150	-175.7	65.6	0	0	0	0	112.9	N491 L495 P504 C572	N491-C493 PolarHBondContact O-N 3.32Å; C493-L495 PolarHBondContact O-N 3.35Å; C493-P504 HydrophobicContact CB-CG 3.8Å; C493-C572 WeakPolarHBondContact O-CB 3.37Å
494	N	93.4	Very high	94.4	Very high	33 Å²	33	51.7 Å²	51.7	18%	0.176	27%	0.274	C	S	.	.			trans	-77.7	114.8	-178.9	-167.5	-38.7	0	0	0	110.1	W496 D497 H500 Y570	N494-W496 VanDerWaalsContact C-N 3.26Å; N494-W496 PolarHBondContact O-N 3.48Å; N494-W496 PolarHBondContact OD1-N 2.93Å; N494-D497 PolarHBondContact OD1-N 2.77Å; N494-H500 HydrophobicContact CB-CB 3.96Å; N494-H500 PolarHBondContact ND2-CD2 2.88Å; N494-H500 VanDerWaalsContact ND2-CD2 3.31Å; N494-Y570 VanDerWaalsContact CA-CD2 3.48Å; N494-Y570 HydrophobicContact CB-CD1 4.34Å; N494-Y570 HydrophobicContact CB-CD2 3.7Å; N494-Y570 HydrophobicContact CB-CE2 3.94Å; N494-Y570 HydrophobicContact CB-CG 3.91Å
495	L	91.9	Very high	94.3	Very high	78 Å²	78	56 Å²	56	41%	0.408	29%	0.294	S	S	.	.	S	Bend	trans	-84.5	4.3	-174.6	-60.8	177.9	0	0	0	113.6	C493 T556 C572	C493-L495 PolarHBondContact O-N 3.35Å; L495-T556 HydrophobicContact CB-CG2 4.39Å; L495-T556 HydrophobicContact CD1-CG2 3.73Å; L495-C572 HydrophobicContact CD1-CB 3.91Å; L495-C572 HydrophobicContact CG-CB 4.13Å
496	W	89.4	Confident	94.3	Very high	89 Å²	89	53.9 Å²	53.9	34%	0.337	29%	0.286	S	S	.	.	S	Bend	trans	-136.9	-31.3	-168.2	-44.4	-64.6	0	0	0	114.2	N494 T556 L559 H560 S563 I571	N494-W496 VanDerWaalsContact C-N 3.26Å; N494-W496 PolarHBondContact O-N 3.48Å; N494-W496 PolarHBondContact OD1-N 2.93Å; W496-T556 HydrophobicContact CZ2-CG2 4.22Å; W496-T556 WeakPolarHBondContact CZ2-O 3.43Å; W496-L559 HydrophobicContact CH2-CB 4.23Å; W496-L559 HydrophobicContact CZ2-CB 4.21Å; W496-H560 AromaticContact CD1-CD2 3.82Å; W496-H560 HydrophobicContact CD2-CB 4.33Å; W496-H560 AromaticContact CD2-CD2 3.56Å; W496-H560 AromaticContact CE2-CD2 3.77Å; W496-H560 AromaticContact CG-CD2 3.6Å; W496-H560 HydrophobicContact CH2-CB 4.04Å; W496-H560 HydrophobicContact CZ2-CB 3.58Å; W496-H560 AromaticContact NE1-CD2 3.91Å; W496-S563 WeakPolarHBondContact CH2-OG 2.9Å; W496-S563 WeakPolarHBondContact CZ3-OG 3.47Å; W496-I571 WeakPolarHBondContact CH2-O 3.45Å
497	D	88.4	Confident	94.3	Very high	75 Å²	75	51.5 Å²	51.5	40%	0.401	27%	0.273	S	S	.	.			trans	-122.1	111	169.9	-169.3	-3	0	0	0	110.8	N494 H499	N494-D497 PolarHBondContact OD1-N 2.77Å; D497-H499 PolarHBondContact O-N 3.17Å; D497-H499 IonicContact OD1-CG 2.65Å; D497-H499 PolarHBondContact OD1-N 3.21Å; D497-H499 IonicContact OD1-ND1 3.86Å; D497-H499 PolarHBondContact OD1-ND1 3.32Å
498	S	84.3	Confident	94.4	Very high	108 Å²	108	48.1 Å²	48.1	76%	0.755	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.3	176.6	62	0	0	0	0	114.1
499	H	86.1	Confident	94.4	Very high	159 Å²	159	50 Å²	50	74%	0.736	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	11.8	177.7	-47.6	85.5	0	0	0	112.2	D497	D497-H499 PolarHBondContact O-N 3.17Å; D497-H499 IonicContact OD1-CG 2.65Å; D497-H499 PolarHBondContact OD1-N 3.21Å; D497-H499 IonicContact OD1-ND1 3.86Å; D497-H499 PolarHBondContact OD1-ND1 3.32Å
500	H	92.3	Very high	94.4	Very high	25 Å²	25	50 Å²	50	12%	0.116	26%	0.259	C	S	.	.			trans	-56	135.4	172.4	-166.7	-92.1	0	0	0	110.2	N494 E502 V503 Y570 F620	N494-H500 HydrophobicContact CB-CB 3.96Å; N494-H500 PolarHBondContact ND2-CD2 2.88Å; N494-H500 VanDerWaalsContact ND2-CD2 3.31Å; H500-E502 PolarHBondContact ND1-N 2.97Å; H500-E502 PolarHBondContact ND1-O 3.36Å; H500-V503 WeakPolarHBondContact O-CG1 3.34Å; H500-Y570 AromaticContact CE1-CD1 3.34Å; H500-Y570 WeakPolarHBondContact CE1-CD1 3.3Å; H500-Y570 AromaticContact CE1-CE1 3.27Å; H500-Y570 WeakPolarHBondContact CE1-CE1 3.38Å; H500-Y570 AromaticContact ND1-CD1 3.72Å; H500-Y570 AromaticContact ND1-CE1 3.41Å; H500-Y570 WeakPolarHBondContact ND1-CE1 3.19Å; H500-Y570 AromaticContact NE2-CD1 3.58Å; H500-F620 AromaticContact CE1-CD1 3.4Å; H500-F620 WeakPolarHBondContact CE1-CD1 3.45Å; H500-F620 AromaticContact CE1-CE1 3.32Å; H500-F620 WeakPolarHBondContact CE1-CE1 3.49Å; H500-F620 AromaticContact NE2-CD1 3.63Å; H500-F620 AromaticContact NE2-CE1 3.24Å; H500-F620 WeakPolarHBondContact NE2-CE1 3.42Å
501	P	92.1	Very high	94.4	Very high	31 Å²	31	49 Å²	49	20%	0.201	25%	0.254	C	S	.	.	S	Bend	trans	-72.8	-39.2	-172.8	27.4	-34.5	0	0	0	113	V503 F620 L749 Y782	P501-V503 PolarHBondContact O-N 2.89Å; P501-V503 VanDerWaalsContact O-N 3.16Å; P501-F620 HydrophobicContact CG-CE2 4.45Å; P501-F620 HydrophobicContact CG-CZ 4.05Å; P501-L749 HydrophobicContact CB-CD1 4.04Å; P501-L749 HydrophobicContact CG-CD1 3.9Å; P501-Y782 HydrophobicContact CB-CD1 3.87Å; P501-Y782 HydrophobicContact CB-CG 3.89Å
502	E	95.8	Very high	94.3	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	24%	0.242	C	C	.	.	S	Bend	trans	-74.5	105.9	172.4	-153.4	-62	123	0	0	108.2	H492 H500 R506 Y570 R606 F620 Y782	H492-E502 IonicContact CD2-OE2 2.75Å; H500-E502 PolarHBondContact ND1-N 2.97Å; H500-E502 PolarHBondContact ND1-O 3.36Å; E502-R506 WeakPolarHBondContact OE1-CD 3.33Å; E502-R506 IonicContact OE1-CZ 2.79Å; E502-R506 IonicContact OE1-NE 3.66Å; E502-R506 IonicContact OE1-NH1 3.32Å; E502-R506 PolarHBondContact OE1-NH1 3.32Å; E502-Y570 HydrophobicContact CB-CE1 4.41Å; E502-Y570 PolarHBondContact O-OH 3.42Å; E502-Y570 PolarHBondContact OE2-OH 2.86Å; E502-R606 IonicContact OE1-CZ 3.03Å; E502-R606 IonicContact OE1-NE 2.74Å; E502-R606 PolarHBondContact OE1-NE 2.96Å; E502-R606 IonicContact OE1-NH2 2.72Å; E502-R606 PolarHBondContact OE1-NH2 3.34Å; E502-R606 IonicContact OE2-CZ 3.34Å; E502-R606 IonicContact OE2-NE 3.49Å; E502-R606 IonicContact OE2-NH2 2.73Å; E502-R606 PolarHBondContact OE2-NH2 3.16Å; E502-F620 HydrophobicContact CB-CB 4.34Å; E502-F620 HydrophobicContact CB-CD2 4Å; E502-F620 HydrophobicContact CB-CE2 4.48Å; E502-F620 HydrophobicContact CB-CG 4.01Å; E502-F620 HydrophobicContact CG-CB 4.15Å; E502-F620 HydrophobicContact CG-CD2 4.29Å; E502-F620 HydrophobicContact CG-CG 4.3Å; E502-Y782 HydrophobicContact CB-CD1 4.35Å; E502-Y782 HydrophobicContact CB-CE1 3.95Å; E502-Y782 HydrophobicContact CG-CE1 4.11Å
503	V	95.7	Very high	94.3	Very high	33 Å²	33	47.6 Å²	47.6	20%	0.2	25%	0.247	C	C	.	.			trans	-126.7	150.7	-175.4	-62.4	0	0	0	0	112.6	H500 P501 Q505 R506 R606 L784	H500-V503 WeakPolarHBondContact O-CG1 3.34Å; P501-V503 PolarHBondContact O-N 2.89Å; P501-V503 VanDerWaalsContact O-N 3.16Å; V503-Q505 HydrophobicContact CG2-CB 4.1Å; V503-Q505 PolarHBondContact O-N 3.31Å; V503-Q505 VanDerWaalsContact O-N 3.09Å; V503-R506 HydrophobicContact CG2-CG 3.97Å; V503-R506 WeakPolarHBondContact O-CB 3.47Å; V503-R506 VanDerWaalsContact O-CG 3.28Å; V503-R506 WeakPolarHBondContact O-CG 3.43Å; V503-R506 PolarHBondContact O-N 3.48Å; V503-R506 VanDerWaalsContact O-N 3.11Å; V503-R606 PolarHBondContact O-NE 3.49Å; V503-L784 HydrophobicContact CG2-CD2 4.07Å
504	P	97.3	Very high	94.4	Very high	19 Å²	19	45.6 Å²	45.6	12%	0.123	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-33.3	174.2	-30.3	36.7	0	0	0	115.4	M490 C493 R506 I507	M490-P504 HydrophobicContact CB-CB 3.87Å; M490-P504 HydrophobicContact CE-CB 3.8Å; M490-P504 HydrophobicContact CG-CB 4.2Å; M490-P504 WeakPolarHBondContact O-CB 3.42Å; M490-P504 WeakPolarHBondContact O-CG 3.41Å; C493-P504 HydrophobicContact CB-CG 3.8Å; P504-R506 PolarHBondContact O-N 2.86Å; P504-R506 VanDerWaalsContact O-N 3.16Å; P504-I507 WeakPolarHBondContact O-CG1 3.27Å
505	Q	97.3	Very high	94.6	Very high	92 Å²	92	49.9 Å²	49.9	43%	0.43	25%	0.252	S	S	.	.	H	α-helix	trans	-65.1	-15.3	-177.5	-71.9	75.6	5.4	0	0	113.6	V503 L508 R509 L784	V503-Q505 HydrophobicContact CG2-CB 4.1Å; V503-Q505 PolarHBondContact O-N 3.31Å; V503-Q505 VanDerWaalsContact O-N 3.09Å; Q505-L508 PolarHBondContact O-N 3.25Å; Q505-R509 WeakPolarHBondContact O-CB 3.25Å; Q505-R509 WeakPolarHBondContact O-CG 3.34Å; Q505-R509 PolarHBondContact O-N 2.92Å; Q505-L784 HydrophobicContact CB-CD1 3.96Å; Q505-L784 HydrophobicContact CB-CD2 4.15Å
506	R	98.2	Very high	94.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.4	-61.2	179.2	-69	170.1	68.1	-121.1	-6.8	111.6	E502 V503 P504 L508 R509 I510 E779 G780 G781 L784 I787	E502-R506 WeakPolarHBondContact OE1-CD 3.33Å; E502-R506 IonicContact OE1-CZ 2.79Å; E502-R506 IonicContact OE1-NE 3.66Å; E502-R506 IonicContact OE1-NH1 3.32Å; E502-R506 PolarHBondContact OE1-NH1 3.32Å; V503-R506 HydrophobicContact CG2-CG 3.97Å; V503-R506 WeakPolarHBondContact O-CB 3.47Å; V503-R506 VanDerWaalsContact O-CG 3.28Å; V503-R506 WeakPolarHBondContact O-CG 3.43Å; V503-R506 PolarHBondContact O-N 3.48Å; V503-R506 VanDerWaalsContact O-N 3.11Å; P504-R506 PolarHBondContact O-N 2.86Å; P504-R506 VanDerWaalsContact O-N 3.16Å; R506-L508 VanDerWaalsContact C-N 3.31Å; R506-L508 PolarHBondContact O-N 2.88Å; R506-R509 PolarHBondContact O-N 3.02Å; R506-I510 WeakPolarHBondContact O-CG1 3.49Å; R506-I510 PolarHBondContact O-N 2.86Å; R506-E779 PolarHBondContact NH2-O 3.06Å; R506-G780 VanDerWaalsContact NH2-C 3.28Å; R506-G780 PolarHBondContact NH2-O 2.85Å; R506-G781 PolarHBondContact NE-O 2.66Å; R506-G781 PolarHBondContact NH2-O 3.07Å; R506-G781 VanDerWaalsContact NH2-O 3.1Å; R506-L784 HydrophobicContact CB-CD2 4.35Å; R506-L784 HydrophobicContact CG-CD2 3.86Å; R506-I787 HydrophobicContact CB-CD1 3.81Å; R506-I787 HydrophobicContact CG-CD1 3.9Å
507	I	98.3	Very high	94.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-33.9	179.6	57.5	165.4	0	0	0	112.6	Y485 M489 M490 P504 M511 V604 V605 R606 L778	Y485-I507 HydrophobicContact CD2-CB 4.26Å; Y485-I507 HydrophobicContact CD2-CD1 4.36Å; Y485-I507 HydrophobicContact CE2-CB 3.88Å; Y485-I507 HydrophobicContact CE2-CD1 3.77Å; Y485-I507 HydrophobicContact CE2-CG1 3.95Å; M489-I507 HydrophobicContact CB-CD1 3.69Å; M490-I507 HydrophobicContact CG-CD1 3.87Å; M490-I507 HydrophobicContact CG-CG1 4.13Å; P504-I507 WeakPolarHBondContact O-CG1 3.27Å; I507-M511 WeakPolarHBondContact O-CG 3.39Å; I507-M511 PolarHBondContact O-N 3.42Å; I507-V604 HydrophobicContact CB-CG1 3.9Å; I507-V604 HydrophobicContact CG2-CG1 3.95Å; I507-V604 WeakPolarHBondContact CG2-O 3.18Å; I507-V605 WeakPolarHBondContact CG2-O 3.24Å; I507-R606 HydrophobicContact CD1-CG 3.84Å; I507-R606 HydrophobicContact CG1-CG 4.09Å; I507-R606 HydrophobicContact CG2-CB 4.13Å; I507-R606 HydrophobicContact CG2-CG 3.8Å; I507-L778 HydrophobicContact CG2-CD2 3.82Å
508	L	98	Very high	94.9	Very high	53 Å²	53	47.5 Å²	47.5	28%	0.277	25%	0.252	S	S	.	.	H	α-helix	trans	-67.8	-44.5	178.7	179.9	63	0	0	0	111.8	M490 Q505 R506 M511 C512	M490-L508 HydrophobicContact CE-CB 3.92Å; M490-L508 HydrophobicContact CE-CD2 3.78Å; M490-L508 HydrophobicContact CE-CG 4.45Å; M490-L508 HydrophobicContact SD-CB 3.98Å; M490-L508 HydrophobicContact SD-CD2 4.2Å; M490-L508 HydrophobicContact SD-CG 4.49Å; Q505-L508 PolarHBondContact O-N 3.25Å; R506-L508 VanDerWaalsContact C-N 3.31Å; R506-L508 PolarHBondContact O-N 2.88Å; L508-M511 PolarHBondContact O-N 3.3Å; L508-C512 PolarHBondContact O-N 3.05Å; L508-C512 PolarHBondContact O-SG 2.86Å
509	R	97.6	Very high	95.4	Very high	86 Å²	86	42.5 Å²	42.5	33%	0.325	22%	0.216	S	C	.	.	H	α-helix	trans	-68.4	-36.2	-179.7	-74.7	-59.1	-47.5	-67.2	-2.1	112.4	Q505 R506 R513 L784 S788	Q505-R509 WeakPolarHBondContact O-CB 3.25Å; Q505-R509 WeakPolarHBondContact O-CG 3.34Å; Q505-R509 PolarHBondContact O-N 2.92Å; R506-R509 PolarHBondContact O-N 3.02Å; R509-R513 WeakPolarHBondContact O-CB 3.45Å; R509-R513 PolarHBondContact O-N 3.11Å; R509-L784 HydrophobicContact CG-CB 4.35Å; R509-L784 HydrophobicContact CG-CD1 4.41Å; R509-S788 VanDerWaalsContact C-OG 3.25Å; R509-S788 PolarHBondContact O-OG 3.16Å
510	I	98.4	Very high	95.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-53.6	170.4	-69.2	165.7	0	0	0	110	R506 C512 R513 L514 V604 L778 I787 S788 M791	R506-I510 WeakPolarHBondContact O-CG1 3.49Å; R506-I510 PolarHBondContact O-N 2.86Å; I510-C512 PolarHBondContact O-N 3.22Å; I510-R513 PolarHBondContact O-N 3.37Å; I510-R513 VanDerWaalsContact O-N 3.12Å; I510-L514 HydrophobicContact CG2-CD1 4.07Å; I510-L514 HydrophobicContact CG2-CG 4.41Å; I510-L514 WeakPolarHBondContact O-CG 3.42Å; I510-L514 PolarHBondContact O-N 2.95Å; I510-V604 HydrophobicContact CB-CG1 3.91Å; I510-V604 HydrophobicContact CD1-CG1 4.31Å; I510-V604 HydrophobicContact CG2-CB 4.44Å; I510-V604 HydrophobicContact CG2-CG1 3.6Å; I510-V604 HydrophobicContact CG2-CG2 3.88Å; I510-L778 HydrophobicContact CD1-CD1 4.07Å; I510-L778 HydrophobicContact CD1-CD2 3.52Å; I510-L778 HydrophobicContact CD1-CG 4.47Å; I510-I787 HydrophobicContact CD1-CB 4.4Å; I510-I787 HydrophobicContact CD1-CD1 4.12Å; I510-I787 HydrophobicContact CD1-CG1 4.09Å; I510-I787 HydrophobicContact CG1-CD1 4.37Å; I510-I787 HydrophobicContact CG1-CG1 4.01Å; I510-S788 PolarHBondContact N-OG 2.89Å; I510-M791 HydrophobicContact CG1-CB 4.45Å; I510-M791 HydrophobicContact CG2-CB 3.94Å; I510-M791 HydrophobicContact CG2-CG 3.66Å
511	M	98.3	Very high	95.9	Very high	13 Å²	13	37.9 Å²	37.9	6%	0.064	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-46.2	-179.6	-73.3	-56	-61.5	0	0	112.9	L483 Y485 I507 L508 R513 L514 E515 V604	L483-M511 HydrophobicContact CD1-SD 4.38Å; L483-M511 HydrophobicContact CD2-CE 3.94Å; L483-M511 HydrophobicContact CD2-SD 4.27Å; L483-M511 HydrophobicContact CG-CE 4.49Å; L483-M511 HydrophobicContact CG-SD 4.49Å; Y485-M511 HydrophobicContact CD1-CE 4.16Å; Y485-M511 HydrophobicContact CD1-CG 3.8Å; Y485-M511 HydrophobicContact CD1-SD 4.32Å; Y485-M511 HydrophobicContact CD2-CG 3.28Å; Y485-M511 HydrophobicContact CD2-SD 4.06Å; Y485-M511 HydrophobicContact CE1-CG 4.02Å; Y485-M511 HydrophobicContact CE2-CB 4.36Å; Y485-M511 HydrophobicContact CE2-CG 3.5Å; Y485-M511 VanDerWaalsContact CE2-CG 3.5Å; Y485-M511 HydrophobicContact CG-CE 4.16Å; Y485-M511 HydrophobicContact CG-CG 3.43Å; Y485-M511 VanDerWaalsContact CG-CG 3.43Å; Y485-M511 HydrophobicContact CG-SD 3.77Å; I507-M511 WeakPolarHBondContact O-CG 3.39Å; I507-M511 PolarHBondContact O-N 3.42Å; L508-M511 PolarHBondContact O-N 3.3Å; M511-R513 PolarHBondContact O-N 3.5Å; M511-L514 PolarHBondContact O-N 2.92Å; M511-L514 VanDerWaalsContact O-N 3.12Å; M511-L514 HydrophobicContact SD-CD1 4.1Å; M511-E515 WeakPolarHBondContact O-CG 3.48Å; M511-E515 PolarHBondContact O-N 2.89Å; M511-V604 HydrophobicContact CG-CG1 4.21Å; M511-V604 HydrophobicContact SD-CB 4.21Å; M511-V604 HydrophobicContact SD-CG1 4.34Å; M511-V604 HydrophobicContact SD-CG2 4.08Å
512	C	97.4	Very high	96	Very high	36 Å²	36	42 Å²	42	24%	0.243	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-38.8	175.2	-66.5	0	0	0	0	111.6	L508 I510 E515 E516	L508-C512 PolarHBondContact O-N 3.05Å; L508-C512 PolarHBondContact O-SG 2.86Å; I510-C512 PolarHBondContact O-N 3.22Å; C512-E515 PolarHBondContact O-N 2.82Å; C512-E516 VanDerWaalsContact O-CB 3.29Å; C512-E516 WeakPolarHBondContact O-CB 3.48Å; C512-E516 WeakPolarHBondContact O-CG 3.37Å; C512-E516 PolarHBondContact O-N 3.11Å
513	R	96.7	Very high	96	Very high	25 Å²	25	42.8 Å²	42.8	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-70.8	-35.3	177.4	-169.2	56	168.9	144.8	8.3	113	N77 R509 I510 M511 E515 E516 L517 E789 A792	N77-R513 PolarHBondContact OD1-NH1 2.84Å; N77-R513 PolarHBondContact OD1-NH2 3.05Å; R509-R513 WeakPolarHBondContact O-CB 3.45Å; R509-R513 PolarHBondContact O-N 3.11Å; I510-R513 PolarHBondContact O-N 3.37Å; I510-R513 VanDerWaalsContact O-N 3.12Å; M511-R513 PolarHBondContact O-N 3.5Å; R513-E515 VanDerWaalsContact C-N 3.33Å; R513-E516 WeakPolarHBondContact CD-OE2 3.42Å; R513-E516 IonicContact NH1-OE2 2.75Å; R513-L517 HydrophobicContact CG-CD1 4.11Å; R513-L517 WeakPolarHBondContact O-CB 3.31Å; R513-L517 WeakPolarHBondContact O-CG 3.43Å; R513-L517 PolarHBondContact O-N 3.11Å; R513-L517 VanDerWaalsContact O-N 3.08Å; R513-E789 IonicContact CZ-OE1 3.37Å; R513-E789 IonicContact CZ-OE2 2.86Å; R513-E789 VanDerWaalsContact CZ-OE2 3.29Å; R513-E789 VanDerWaalsContact NE-CD 3.28Å; R513-E789 IonicContact NE-OE1 3.87Å; R513-E789 PolarHBondContact NE-OE1 3.22Å; R513-E789 IonicContact NE-OE2 3.59Å; R513-E789 PolarHBondContact NE-OE2 2.66Å; R513-E789 IonicContact NH2-OE1 2.67Å; R513-E789 IonicContact NH2-OE2 3.46Å; R513-E789 PolarHBondContact NH2-OE2 3.11Å; R513-A792 HydrophobicContact CG-CB 4.39Å
514	L	96.6	Very high	96.1	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-67	-33.3	172	-66	177	0	0	0	112.1	L483 I510 M511 G518 L519 A520 V604 A792 T795	L483-L514 HydrophobicContact CD1-CD1 3.99Å; L483-L514 HydrophobicContact CD2-CD1 4.15Å; I510-L514 HydrophobicContact CG2-CD1 4.07Å; I510-L514 HydrophobicContact CG2-CG 4.41Å; I510-L514 WeakPolarHBondContact O-CG 3.42Å; I510-L514 PolarHBondContact O-N 2.95Å; M511-L514 PolarHBondContact O-N 2.92Å; M511-L514 VanDerWaalsContact O-N 3.12Å; M511-L514 HydrophobicContact SD-CD1 4.1Å; L514-G518 CarbonylContact O-C 3.56Å; L514-G518 PolarHBondContact O-N 3Å; L514-L519 HydrophobicContact CD2-CB 4.09Å; L514-L519 HydrophobicContact CD2-CD1 3.92Å; L514-L519 PolarHBondContact O-N 3.11Å; L514-A520 HydrophobicContact CB-CB 4.06Å; L514-A520 PolarHBondContact O-N 2.78Å; L514-V604 HydrophobicContact CD1-CG2 4.35Å; L514-A792 HydrophobicContact CD2-CB 4.01Å; L514-T795 HydrophobicContact CD2-CG2 4.03Å
515	E	96	Very high	96	Very high	122 Å²	122	47.6 Å²	47.6	57%	0.57	26%	0.261	S	S	*	.	H	α-helix	trans	-73.4	-47.5	173.7	-69.8	169.6	164.6	0	0	111.6	M511 C512 R513 L517 G518 A520	M511-E515 WeakPolarHBondContact O-CG 3.48Å; M511-E515 PolarHBondContact O-N 2.89Å; C512-E515 PolarHBondContact O-N 2.82Å; R513-E515 VanDerWaalsContact C-N 3.33Å; E515-L517 VanDerWaalsContact C-N 3.26Å; E515-L517 PolarHBondContact O-N 2.86Å; E515-G518 PolarHBondContact O-N 3.04Å; E515-A520 HydrophobicContact CG-CB 4.05Å
516	E	93.8	Very high	96	Very high	120 Å²	120	43.4 Å²	43.4	56%	0.561	24%	0.242	S	C	*	.	H	α-helix	trans	-55.3	-38.2	175.8	-77.1	162.1	-159.1	0	0	112.5	C512 R513	C512-E516 VanDerWaalsContact O-CB 3.29Å; C512-E516 WeakPolarHBondContact O-CB 3.48Å; C512-E516 WeakPolarHBondContact O-CG 3.37Å; C512-E516 PolarHBondContact O-N 3.11Å; R513-E516 WeakPolarHBondContact CD-OE2 3.42Å; R513-E516 IonicContact NH1-OE2 2.75Å
517	L	90.1	Very high	96	Very high	35 Å²	35	49.1 Å²	49.1	18%	0.183	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	4.7	178.4	-67.3	173.2	0	0	0	113.7	R513 E515 L519 A792	R513-L517 HydrophobicContact CG-CD1 4.11Å; R513-L517 WeakPolarHBondContact O-CB 3.31Å; R513-L517 WeakPolarHBondContact O-CG 3.43Å; R513-L517 PolarHBondContact O-N 3.11Å; R513-L517 VanDerWaalsContact O-N 3.08Å; E515-L517 VanDerWaalsContact C-N 3.26Å; E515-L517 PolarHBondContact O-N 2.86Å; L517-L519 HydrophobicContact CB-CD1 3.94Å; L517-L519 HydrophobicContact CB-CG 3.81Å; L517-L519 HydrophobicContact CD1-CD1 4.11Å; L517-L519 PolarHBondContact O-N 2.95Å; L517-L519 VanDerWaalsContact O-N 3.08Å; L517-A792 HydrophobicContact CD1-CB 3.79Å
518	G	93.1	Very high	95.9	Very high	38 Å²	38	50.1 Å²	50.1	39%	0.392	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	2	-178.4	0	0	0	0	0	115.6	L514 E515 G521 R522	L514-G518 CarbonylContact O-C 3.56Å; L514-G518 PolarHBondContact O-N 3Å; E515-G518 PolarHBondContact O-N 3.04Å; G518-G521 PolarHBondContact O-N 2.94Å; G518-R522 PolarHBondContact O-N 3.19Å
519	L	94.2	Very high	95.9	Very high	2 Å²	2	50 Å²	50	1%	0.01	28%	0.279	C	S	.	.			trans	-67.2	-39.5	-176.3	-56.1	175.9	0	0	0	111.9	L514 L517 G521 R522 C523 A792 T795 R796 L799	L514-L519 HydrophobicContact CD2-CB 4.09Å; L514-L519 HydrophobicContact CD2-CD1 3.92Å; L514-L519 PolarHBondContact O-N 3.11Å; L517-L519 HydrophobicContact CB-CD1 3.94Å; L517-L519 HydrophobicContact CB-CG 3.81Å; L517-L519 HydrophobicContact CD1-CD1 4.11Å; L517-L519 PolarHBondContact O-N 2.95Å; L517-L519 VanDerWaalsContact O-N 3.08Å; L519-G521 VanDerWaalsContact C-N 3.26Å; L519-G521 PolarHBondContact O-N 3.4Å; L519-R522 PolarHBondContact O-N 3.36Å; L519-C523 PolarHBondContact O-N 3.32Å; L519-C523 PolarHBondContact O-SG 2.97Å; L519-A792 HydrophobicContact CD1-CB 3.95Å; L519-T795 HydrophobicContact CB-CG2 4.29Å; L519-R796 HydrophobicContact CD1-CG 3.84Å; L519-R796 HydrophobicContact CD2-CG 3.6Å; L519-R796 HydrophobicContact CG-CG 4.39Å; L519-L799 HydrophobicContact CB-CD1 4.24Å; L519-L799 HydrophobicContact CD2-CD1 4.03Å
520	A	95.4	Very high	96	Very high	12 Å²	12	49.4 Å²	49.4	10%	0.099	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-59.7	-38	176	0	0	0	0	0	111.9	L483 L514 E515 R522 C523	L483-A520 HydrophobicContact CD2-CB 3.92Å; L514-A520 HydrophobicContact CB-CB 4.06Å; L514-A520 PolarHBondContact O-N 2.78Å; E515-A520 HydrophobicContact CG-CB 4.05Å; A520-R522 PolarHBondContact O-N 2.81Å; A520-C523 PolarHBondContact O-N 2.62Å
521	G	94	Very high	96	Very high	76 Å²	76	49.4 Å²	49.4	78%	0.784	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-73.7	-9.5	176.7	0	0	0	0	0	114.9	G518 L519	G518-G521 PolarHBondContact O-N 2.94Å; L519-G521 VanDerWaalsContact C-N 3.26Å; L519-G521 PolarHBondContact O-N 3.4Å
522	R	93.9	Very high	96	Very high	118 Å²	118	51.8 Å²	51.8	45%	0.445	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-96.8	-9.2	172.8	-65.6	170.3	60.6	-163.2	-1	112.7	G518 L519 A520 L799 D801	G518-R522 PolarHBondContact O-N 3.19Å; L519-R522 PolarHBondContact O-N 3.36Å; A520-R522 PolarHBondContact O-N 2.81Å; R522-L799 HydrophobicContact CB-CD1 3.94Å; R522-L799 HydrophobicContact CB-CD2 3.82Å; R522-L799 WeakPolarHBondContact O-CD2 3.18Å; R522-D801 IonicContact CZ-OD1 3.95Å; R522-D801 IonicContact CZ-OD2 2.87Å; R522-D801 IonicContact NH1-OD1 3.51Å; R522-D801 PolarHBondContact NH1-OD1 3.04Å; R522-D801 IonicContact NH1-OD2 3.5Å; R522-D801 PolarHBondContact NH1-OD2 2.8Å; R522-D801 IonicContact NH2-OD1 3.44Å; R522-D801 PolarHBondContact NH2-OD1 3.31Å; R522-D801 IonicContact NH2-OD2 2.89Å
523	C	96.2	Very high	96	Very high	17 Å²	17	54.4 Å²	54.4	12%	0.115	31%	0.31	C	S	.	.	S	Bend	trans	-97.5	154.7	178	-59.8	0	0	0	0	111.3	T481 L483 L519 A520 T525	T481-C523 CarbonylContact O-C 3.47Å; T481-C523 VanDerWaalsContact O-CA 3.25Å; T481-C523 WeakPolarHBondContact O-CA 3.23Å; T481-C523 WeakPolarHBondContact O-CB 3.45Å; L483-C523 HydrophobicContact CB-CB 3.62Å; L483-C523 HydrophobicContact CD2-CB 4.29Å; L519-C523 PolarHBondContact O-N 3.32Å; L519-C523 PolarHBondContact O-SG 2.97Å; A520-C523 PolarHBondContact O-N 2.62Å; C523-T525 PolarHBondContact O-N 3.41Å
524	L	96.8	Very high	96	Very high	58 Å²	58	56.6 Å²	56.6	30%	0.304	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	106	165.6	-178	62.4	0	0	0	109.4	T481 G482 L483 L526 E597 V598	T481-L524 PolarHBondContact O-N 3.31Å; G482-L524 WeakPolarHBondContact CA-O 3.32Å; L483-L524 PolarHBondContact N-O 2.67Å; L524-L526 HydrophobicContact CD2-CD2 3.91Å; L524-L526 HydrophobicContact CG-CD2 3.94Å; L524-L526 PolarHBondContact O-N 2.88Å; L524-L526 VanDerWaalsContact O-N 3.15Å; L524-E597 HydrophobicContact CD2-CG 3.97Å; L524-V598 HydrophobicContact CB-CG1 4.04Å; L524-V598 HydrophobicContact CD2-CG1 3.77Å; L524-V598 HydrophobicContact CG-CG1 4.45Å
525	T	96.6	Very high	96.1	Very high	95 Å²	95	57.4 Å²	57.4	58%	0.583	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	108	175.4	-57.5	0	0	0	0	110.6	L483 C523	L483-T525 WeakPolarHBondContact O-CA 3.25Å; C523-T525 PolarHBondContact O-N 3.41Å
526	L	97.1	Very high	96.3	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.026	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	138.1	177.1	-48.5	175.4	0	0	0	110	L483 V484 L524 P528 L589 A592	L483-L526 PolarHBondContact O-N 3.16Å; V484-L526 HydrophobicContact CG2-CB 3.97Å; V484-L526 HydrophobicContact CG2-CD1 3.88Å; V484-L526 HydrophobicContact CG2-CG 4.25Å; L524-L526 HydrophobicContact CD2-CD2 3.91Å; L524-L526 HydrophobicContact CG-CD2 3.94Å; L524-L526 PolarHBondContact O-N 2.88Å; L524-L526 VanDerWaalsContact O-N 3.15Å; L526-P528 WeakPolarHBondContact O-CD 3.22Å; L526-L589 HydrophobicContact CD1-CD1 3.67Å; L526-A592 HydrophobicContact CD1-CB 3.49Å; L526-A592 VanDerWaalsContact CD1-CB 3.49Å; L526-A592 HydrophobicContact CD2-CB 4.39Å
527	T	97.2	Very high	96.5	Very high	119 Å²	119	49.5 Å²	49.5	73%	0.73	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-72.5	118.7	173.7	-56.3	0	0	0	0	109.9
528	P	96.9	Very high	96.9	Very high	22 Å²	22	50.8 Å²	50.8	14%	0.143	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-71.2	159.5	178.5	25.5	-28.3	0	0	0	112.2	V484 D486 L526 L581 A585	V484-P528 HydrophobicContact CG1-CB 3.74Å; V484-P528 HydrophobicContact CG1-CG 4.33Å; D486-P528 HydrophobicContact CB-CG 3.76Å; L526-P528 WeakPolarHBondContact O-CD 3.22Å; P528-L581 HydrophobicContact CB-CD1 4.02Å; P528-L581 HydrophobicContact CG-CD1 4.49Å; P528-A585 HydrophobicContact CB-CB 3.84Å
529	R	97.9	Very high	97.1	Very high	50 Å²	50	49.1 Å²	49.1	19%	0.189	30%	0.295	C	S	.	.			trans	-132.3	154.1	176.5	64.7	-179.9	-173.1	75.4	-14.8	110.2	E535 G584 A585 R588 E591 H632	R529-E535 IonicContact CZ-OE1 3.88Å; R529-E535 IonicContact CZ-OE2 3.21Å; R529-E535 IonicContact NH1-OE1 3.26Å; R529-E535 PolarHBondContact NH1-OE1 3.16Å; R529-E535 IonicContact NH1-OE2 2.8Å; R529-E535 PolarHBondContact NH1-OE2 2.76Å; R529-E535 VanDerWaalsContact NH2-CD 3.3Å; R529-E535 IonicContact NH2-OE1 3.83Å; R529-E535 PolarHBondContact NH2-OE1 2.97Å; R529-E535 IonicContact NH2-OE2 2.66Å; R529-E535 PolarHBondContact NH2-OE2 2.84Å; R529-G584 CarbonylContact O-C 3.45Å; R529-G584 WeakPolarHBondContact O-CA 3.31Å; R529-A585 PolarHBondContact O-N 2.82Å; R529-R588 HydrophobicContact CG-CB 4.26Å; R529-E591 IonicContact CZ-OE1 3.89Å; R529-E591 IonicContact NE-OE1 3.88Å; R529-E591 PolarHBondContact NE-OE1 3.5Å; R529-E591 IonicContact NE-OE2 3.94Å; R529-E591 PolarHBondContact NE-OE2 3.45Å; R529-E591 IonicContact NH2-OE1 3.86Å; R529-E591 PolarHBondContact NH2-OE1 2.83Å; R529-E591 IonicContact NH2-OE2 3.27Å; R529-H632 PolarHBondContact NH2-NE2 3.43Å
530	P	98.5	Very high	97.3	Very high	74 Å²	74	49.2 Å²	49.2	48%	0.481	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-62.5	145.6	163.4	27.6	-33.8	0	0	0	110.8	Q580	P530-Q580 HydrophobicContact CB-CG 3.8Å
531	A	98.7	Very high	97.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-62.7	139.2	168	0	0	0	0	0	110	E535 L536 Q580 T583	A531-E535 VanDerWaalsContact CA-OE2 3.23Å; A531-E535 WeakPolarHBondContact CA-OE2 3.21Å; A531-L536 HydrophobicContact CB-CD2 3.87Å; A531-L536 HydrophobicContact CB-CG 4.01Å; A531-Q580 HydrophobicContact CB-CG 4.19Å; A531-Q580 WeakPolarHBondContact CB-O 3.45Å; A531-Q580 PolarHBondContact N-O 2.88Å; A531-Q580 WeakPolarHBondContact O-CG 3.36Å; A531-Q580 PolarHBondContact O-NE2 3.1Å; A531-T583 HydrophobicContact CB-CG2 3.93Å
532	T	98.4	Very high	97.7	Very high	62 Å²	62	50 Å²	50	38%	0.38	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-72.6	158.2	174	68.1	0	0	0	0	110.6	A534 E535 L536	T532-A534 PolarHBondContact O-N 3.12Å; T532-E535 WeakPolarHBondContact CG2-OE1 3.46Å; T532-E535 PolarHBondContact N-OE2 2.96Å; T532-E535 PolarHBondContact O-N 3.29Å; T532-E535 VanDerWaalsContact OG1-CG 3.31Å; T532-E535 WeakPolarHBondContact OG1-CG 3.41Å; T532-E535 PolarHBondContact OG1-N 3.2Å; T532-E535 VanDerWaalsContact OG1-N 3.17Å; T532-E535 PolarHBondContact OG1-OE1 2.64Å; T532-L536 PolarHBondContact O-N 3.1Å; T532-L536 VanDerWaalsContact O-N 3.11Å
533	E	97.4	Very high	97.9	Very high	91 Å²	91	52.5 Å²	52.5	43%	0.425	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-32.7	174.1	-179.6	153.4	-126.2	0	0	111.4	L537 R549	E533-L537 HydrophobicContact CG-CD1 3.84Å; E533-L537 HydrophobicContact CG-CG 4.36Å; E533-L537 WeakPolarHBondContact O-CB 3.37Å; E533-L537 WeakPolarHBondContact O-CD1 3.45Å; E533-L537 WeakPolarHBondContact O-CG 3.48Å; E533-L537 PolarHBondContact O-N 3.26Å; E533-L537 VanDerWaalsContact O-N 3.09Å; E533-R549 VanDerWaalsContact CD-NH2 3.31Å; E533-R549 IonicContact OE1-CZ 2.72Å; E533-R549 IonicContact OE1-NH1 3.74Å; E533-R549 PolarHBondContact OE1-NH1 3.02Å; E533-R549 IonicContact OE1-NH2 2.71Å; E533-R549 PolarHBondContact OE1-NH2 3.28Å; E533-R549 IonicContact OE2-NH1 2.98Å; E533-R549 IonicContact OE2-NH2 3.3Å
534	A	98.1	Very high	98	Very high	71 Å²	71	52 Å²	52	59%	0.587	30%	0.304	S	S	*	.	H	α-helix	trans	-64.5	-42.1	174.1	0	0	0	0	0	112.8	T532 L537 T538	T532-A534 PolarHBondContact O-N 3.12Å; A534-L537 PolarHBondContact O-N 3.19Å; A534-T538 PolarHBondContact O-N 3.29Å
535	E	98.6	Very high	98	Very high	18 Å²	18	49.2 Å²	49.2	8%	0.084	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-51.2	174.9	-76.8	148.8	-146.6	0	0	111.5	R529 A531 T532 L537 T538 V628 H632	R529-E535 IonicContact CZ-OE1 3.88Å; R529-E535 IonicContact CZ-OE2 3.21Å; R529-E535 IonicContact NH1-OE1 3.26Å; R529-E535 PolarHBondContact NH1-OE1 3.16Å; R529-E535 IonicContact NH1-OE2 2.8Å; R529-E535 PolarHBondContact NH1-OE2 2.76Å; R529-E535 VanDerWaalsContact NH2-CD 3.3Å; R529-E535 IonicContact NH2-OE1 3.83Å; R529-E535 PolarHBondContact NH2-OE1 2.97Å; R529-E535 IonicContact NH2-OE2 2.66Å; R529-E535 PolarHBondContact NH2-OE2 2.84Å; A531-E535 VanDerWaalsContact CA-OE2 3.23Å; A531-E535 WeakPolarHBondContact CA-OE2 3.21Å; T532-E535 WeakPolarHBondContact CG2-OE1 3.46Å; T532-E535 PolarHBondContact N-OE2 2.96Å; T532-E535 PolarHBondContact O-N 3.29Å; T532-E535 VanDerWaalsContact OG1-CG 3.31Å; T532-E535 WeakPolarHBondContact OG1-CG 3.41Å; T532-E535 PolarHBondContact OG1-N 3.2Å; T532-E535 VanDerWaalsContact OG1-N 3.17Å; T532-E535 PolarHBondContact OG1-OE1 2.64Å; E535-L537 PolarHBondContact O-N 2.9Å; E535-T538 WeakPolarHBondContact O-CB 3.43Å; E535-T538 PolarHBondContact O-N 2.9Å; E535-T538 PolarHBondContact O-OG1 3.39Å; E535-V628 HydrophobicContact CB-CG1 3.97Å; E535-V628 WeakPolarHBondContact O-CG1 3.39Å; E535-H632 IonicContact OE1-CE1 3.53Å
536	L	98.7	Very high	98.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-36.3	179.4	-65.2	177.9	0	0	0	112.4	A531 T532 T538 C539 H540 V545 Q580 T583 F623	A531-L536 HydrophobicContact CB-CD2 3.87Å; A531-L536 HydrophobicContact CB-CG 4.01Å; T532-L536 PolarHBondContact O-N 3.1Å; T532-L536 VanDerWaalsContact O-N 3.11Å; L536-T538 PolarHBondContact O-N 3.47Å; L536-C539 PolarHBondContact O-N 3.46Å; L536-H540 WeakPolarHBondContact O-CB 3.43Å; L536-H540 PolarHBondContact O-N 3.1Å; L536-V545 HydrophobicContact CB-CG2 4.19Å; L536-V545 HydrophobicContact CD1-CG1 4.22Å; L536-Q580 HydrophobicContact CD1-CG 4.49Å; L536-T583 HydrophobicContact CD2-CG2 3.98Å; L536-F623 HydrophobicContact CD1-CD2 4.27Å; L536-F623 HydrophobicContact CD1-CE1 4.42Å; L536-F623 HydrophobicContact CD1-CE2 3.87Å; L536-F623 HydrophobicContact CD1-CZ 3.96Å; L536-F623 HydrophobicContact CD2-CB 4.04Å; L536-F623 HydrophobicContact CD2-CD1 4.09Å; L536-F623 HydrophobicContact CD2-CD2 3.71Å; L536-F623 HydrophobicContact CD2-CE2 4.18Å; L536-F623 HydrophobicContact CD2-CG 3.69Å
537	L	98.5	Very high	98	Very high	76 Å²	76	49 Å²	49	40%	0.398	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-5.3	178.5	-70.9	171.4	0	0	0	114.6	E533 A534 E535 C539 H540 A542	E533-L537 HydrophobicContact CG-CD1 3.84Å; E533-L537 HydrophobicContact CG-CG 4.36Å; E533-L537 WeakPolarHBondContact O-CB 3.37Å; E533-L537 WeakPolarHBondContact O-CD1 3.45Å; E533-L537 WeakPolarHBondContact O-CG 3.48Å; E533-L537 PolarHBondContact O-N 3.26Å; E533-L537 VanDerWaalsContact O-N 3.09Å; A534-L537 PolarHBondContact O-N 3.19Å; E535-L537 PolarHBondContact O-N 2.9Å; L537-C539 VanDerWaalsContact C-N 3.28Å; L537-H540 WeakPolarHBondContact CA-O 3.46Å; L537-A542 HydrophobicContact CD2-CB 3.66Å
538	T	98	Very high	98	Very high	63 Å²	63	43.4 Å²	43.4	39%	0.387	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-22.9	171.6	62.9	0	0	0	0	113.1	A534 E535 L536 R631	A534-T538 PolarHBondContact O-N 3.29Å; E535-T538 WeakPolarHBondContact O-CB 3.43Å; E535-T538 PolarHBondContact O-N 2.9Å; E535-T538 PolarHBondContact O-OG1 3.39Å; L536-T538 PolarHBondContact O-N 3.47Å; T538-R631 HydrophobicContact CG2-CB 4.14Å; T538-R631 VanDerWaalsContact OG1-CB 3.32Å; T538-R631 WeakPolarHBondContact OG1-CB 3.41Å
539	C	98.3	Very high	98	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.02	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-43.5	-179.4	-71.7	0	0	0	0	111.7	L536 L537 Q614 A627 V628 M659	L536-C539 PolarHBondContact O-N 3.46Å; L537-C539 VanDerWaalsContact C-N 3.28Å; C539-Q614 WeakPolarHBondContact O-CG 3.35Å; C539-A627 VanDerWaalsContact SG-C 3.59Å; C539-V628 HydrophobicContact CB-CG2 3.76Å; C539-M659 HydrophobicContact CB-CE 3.8Å; C539-M659 HydrophobicContact CB-SD 3.49Å; C539-M659 WeakPolarHBondContact CB-SD 3.16Å; C539-M659 WeakPolarHBondContact O-CE 3.46Å; C539-M659 VanDerWaalsContact O-SD 3.39Å
540	H	98.7	Very high	98	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.019	27%	0.271	C	S	.	.	S	Bend	trans	-103.4	147.4	-169	-59.9	-71.6	0	0	0	113.2	L536 L537 Y544 V545 E613 Q614 F623 N624	L536-H540 WeakPolarHBondContact O-CB 3.43Å; L536-H540 PolarHBondContact O-N 3.1Å; L537-H540 WeakPolarHBondContact CA-O 3.46Å; H540-Y544 HydrophobicContact CB-CD1 4.09Å; H540-Y544 AromaticContact ND1-CE1 3.86Å; H540-V545 HydrophobicContact CB-CG2 3.78Å; H540-E613 PolarHBondContact CE1-O 3.13Å; H540-E613 VanDerWaalsContact CE1-O 3.24Å; H540-E613 PolarHBondContact ND1-O 2.94Å; H540-Q614 CarbonylContact C-O 3.1Å; H540-Q614 WeakPolarHBondContact CA-O 3.41Å; H540-F623 AromaticContact CD2-CD1 3.73Å; H540-F623 WeakPolarHBondContact NE2-CA 3.42Å; H540-N624 PolarHBondContact CE1-N 2.88Å; H540-N624 PolarHBondContact NE2-N 3.07Å
541	S	98.4	Very high	97.8	Very high	36 Å²	36	42 Å²	42	25%	0.252	25%	0.248	S	C	.	.			trans	-69.9	145.7	178.1	69.3	0	0	0	0	112.2	E543 Y544 V545 Q614	S541-E543 PolarHBondContact O-N 3.49Å; S541-Y544 PolarHBondContact O-N 2.73Å; S541-Y544 VanDerWaalsContact O-N 3.15Å; S541-Y544 VanDerWaalsContact OG-CB 3.27Å; S541-Y544 WeakPolarHBondContact OG-CB 3.31Å; S541-Y544 PolarHBondContact OG-N 3.29Å; S541-V545 WeakPolarHBondContact O-CG2 3.34Å; S541-V545 PolarHBondContact O-N 2.95Å; S541-Q614 PolarHBondContact N-O 2.88Å; S541-Q614 PolarHBondContact OG-O 3.33Å
542	A	98.3	Very high	97.7	Very high	67 Å²	67	45.1 Å²	45.1	55%	0.554	26%	0.263	S	S	*	.	H	α-helix	trans	-61.5	-29	178.5	0	0	0	0	0	113.4	L537 G546	L537-A542 HydrophobicContact CD2-CB 3.66Å; A542-G546 PolarHBondContact O-N 3.47Å
543	E	98.3	Very high	97.5	Very high	171 Å²	171	50.4 Å²	50.4	80%	0.799	28%	0.28	S	S	*	.	H	α-helix	trans	-68.1	-46.1	174.3	-174.8	163.6	-175.8	0	0	111.2	S541 G546 H547	S541-E543 PolarHBondContact O-N 3.49Å; E543-G546 PolarHBondContact O-N 3.29Å; E543-H547 WeakPolarHBondContact O-CB 3.4Å; E543-H547 PolarHBondContact O-N 2.86Å
544	Y	97.8	Very high	97.4	Very high	7 Å²	7	48 Å²	48	3%	0.027	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-44.6	177.8	173.9	-110	0	0	0	113.1	H540 S541 G546 H547 L548 F566 D615 A617 F622 F623	H540-Y544 HydrophobicContact CB-CD1 4.09Å; H540-Y544 AromaticContact ND1-CE1 3.86Å; S541-Y544 PolarHBondContact O-N 2.73Å; S541-Y544 VanDerWaalsContact O-N 3.15Å; S541-Y544 VanDerWaalsContact OG-CB 3.27Å; S541-Y544 WeakPolarHBondContact OG-CB 3.31Å; S541-Y544 PolarHBondContact OG-N 3.29Å; Y544-G546 VanDerWaalsContact C-N 3.28Å; Y544-G546 PolarHBondContact O-N 3.03Å; Y544-H547 PolarHBondContact O-N 3.11Å; Y544-L548 HydrophobicContact CD2-CG 4.38Å; Y544-L548 HydrophobicContact CE1-CD1 3.81Å; Y544-L548 HydrophobicContact CE1-CG 4.47Å; Y544-L548 HydrophobicContact CE2-CD1 3.96Å; Y544-L548 HydrophobicContact CE2-CD2 4.27Å; Y544-L548 HydrophobicContact CE2-CG 3.92Å; Y544-L548 VanDerWaalsContact CZ-CD1 3.49Å; Y544-L548 PolarHBondContact O-N 2.77Å; Y544-L548 WeakPolarHBondContact OH-CD1 3.41Å; Y544-F566 HydrophobicContact CE2-CE1 4.35Å; Y544-D615 VanDerWaalsContact CD2-C 3.42Å; Y544-D615 WeakPolarHBondContact CD2-O 3.38Å; Y544-A617 HydrophobicContact CE2-CB 4.35Å; Y544-A617 VanDerWaalsContact OH-CA 3.27Å; Y544-A617 WeakPolarHBondContact OH-CA 3.38Å; Y544-A617 WeakPolarHBondContact OH-CB 3.49Å; Y544-A617 PolarHBondContact OH-N 3.44Å; Y544-A617 VanDerWaalsContact OH-N 3.15Å; Y544-F622 WeakPolarHBondContact CE1-O 3.45Å; Y544-F622 PolarHBondContact OH-O 2.78Å; Y544-F623 HydrophobicContact CD1-CE1 4.49Å; Y544-F623 HydrophobicContact CE1-CD1 4.21Å; Y544-F623 HydrophobicContact CE1-CE1 4.12Å
545	V	98.3	Very high	97.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-40.8	173.9	175.9	0	0	0	0	110.7	L536 H540 S541 R549 F576 F623	L536-V545 HydrophobicContact CB-CG2 4.19Å; L536-V545 HydrophobicContact CD1-CG1 4.22Å; H540-V545 HydrophobicContact CB-CG2 3.78Å; S541-V545 WeakPolarHBondContact O-CG2 3.34Å; S541-V545 PolarHBondContact O-N 2.95Å; V545-R549 WeakPolarHBondContact O-CB 3.49Å; V545-R549 PolarHBondContact O-N 2.86Å; V545-F576 HydrophobicContact CG1-CE2 4.46Å; V545-F623 HydrophobicContact CG2-CE1 4.02Å
546	G	97.8	Very high	96.9	Very high	32 Å²	32	53.5 Å²	53.5	33%	0.33	29%	0.286	S	S	.	.	H	α-helix	trans	-65.6	-40.3	174.4	0	0	0	0	0	113.7	A542 E543 Y544 R549 A550	A542-G546 PolarHBondContact O-N 3.47Å; E543-G546 PolarHBondContact O-N 3.29Å; Y544-G546 VanDerWaalsContact C-N 3.28Å; Y544-G546 PolarHBondContact O-N 3.03Å; G546-R549 PolarHBondContact O-N 3.21Å; G546-A550 PolarHBondContact O-N 2.75Å
547	H	96.3	Very high	96.5	Very high	63 Å²	63	63.7 Å²	63.7	29%	0.292	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-48.8	177.1	-176.6	55.9	0	0	0	111.7	E543 Y544 R549 A550 T551 E562	E543-H547 WeakPolarHBondContact O-CB 3.4Å; E543-H547 PolarHBondContact O-N 2.86Å; Y544-H547 PolarHBondContact O-N 3.11Å; H547-R549 VanDerWaalsContact C-N 3.31Å; H547-R549 PolarHBondContact O-N 3Å; H547-A550 WeakPolarHBondContact O-CB 3.49Å; H547-A550 PolarHBondContact O-N 3.32Å; H547-T551 PolarHBondContact O-N 3.02Å; H547-E562 IonicContact CE1-OE1 3.19Å; H547-E562 PolarHBondContact CE1-OE1 2.73Å; H547-E562 VanDerWaalsContact CE1-OE1 3.27Å; H547-E562 IonicContact CE1-OE2 3.52Å; H547-E562 IonicContact NE2-OE1 2.77Å; H547-E562 PolarHBondContact NE2-OE1 3.04Å
548	L	96.7	Very high	96.3	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-60.3	-40.5	174.8	-72.1	-171.8	0	0	0	111.8	Y544 A550 T551 F576 F622 F623	Y544-L548 HydrophobicContact CD2-CG 4.38Å; Y544-L548 HydrophobicContact CE1-CD1 3.81Å; Y544-L548 HydrophobicContact CE1-CG 4.47Å; Y544-L548 HydrophobicContact CE2-CD1 3.96Å; Y544-L548 HydrophobicContact CE2-CD2 4.27Å; Y544-L548 HydrophobicContact CE2-CG 3.92Å; Y544-L548 VanDerWaalsContact CZ-CD1 3.49Å; Y544-L548 PolarHBondContact O-N 2.77Å; Y544-L548 WeakPolarHBondContact OH-CD1 3.41Å; L548-A550 PolarHBondContact O-N 3.4Å; L548-T551 WeakPolarHBondContact O-CB 3.35Å; L548-T551 WeakPolarHBondContact O-CG2 3.39Å; L548-T551 PolarHBondContact O-N 3.32Å; L548-T551 PolarHBondContact O-OG1 3.06Å; L548-F576 HydrophobicContact CB-CD2 3.89Å; L548-F622 HydrophobicContact CD1-CB 4.14Å; L548-F622 HydrophobicContact CD1-CD1 4.19Å; L548-F622 HydrophobicContact CD2-CD1 4.08Å; L548-F623 HydrophobicContact CB-CZ 4.37Å; L548-F623 HydrophobicContact CD1-CD1 4.34Å; L548-F623 HydrophobicContact CD1-CE1 3.66Å; L548-F623 HydrophobicContact CD1-CZ 3.74Å
549	R	97.3	Very high	96.1	Very high	68 Å²	68	60.4 Å²	60.4	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-64.2	-27.1	174.9	-165.4	-179.8	-62	142	7.3	113.2	E533 V545 G546 H547 T551 F576	E533-R549 VanDerWaalsContact CD-NH2 3.31Å; E533-R549 IonicContact OE1-CZ 2.72Å; E533-R549 IonicContact OE1-NH1 3.74Å; E533-R549 PolarHBondContact OE1-NH1 3.02Å; E533-R549 IonicContact OE1-NH2 2.71Å; E533-R549 PolarHBondContact OE1-NH2 3.28Å; E533-R549 IonicContact OE2-NH1 2.98Å; E533-R549 IonicContact OE2-NH2 3.3Å; V545-R549 WeakPolarHBondContact O-CB 3.49Å; V545-R549 PolarHBondContact O-N 2.86Å; G546-R549 PolarHBondContact O-N 3.21Å; H547-R549 VanDerWaalsContact C-N 3.31Å; H547-R549 PolarHBondContact O-N 3Å; R549-T551 VanDerWaalsContact C-N 3.27Å; R549-T551 PolarHBondContact O-N 2.95Å; R549-F576 HydrophobicContact CB-CD2 3.93Å; R549-F576 HydrophobicContact CB-CE1 4.31Å; R549-F576 HydrophobicContact CB-CE2 3.67Å; R549-F576 HydrophobicContact CB-CG 4.36Å; R549-F576 HydrophobicContact CB-CZ 3.91Å; R549-F576 HydrophobicContact CG-CD1 4.26Å; R549-F576 HydrophobicContact CG-CE1 3.96Å; R549-F576 HydrophobicContact CG-CE2 4.22Å; R549-F576 HydrophobicContact CG-CZ 3.95Å
550	A	96.4	Very high	95.8	Very high	46 Å²	46	64.5 Å²	64.5	38%	0.38	32%	0.321	S	S	.	.	H	α-helix	trans	-69.4	-25.4	173.8	0	0	0	0	0	112.5	G546 H547 L548 E552 K553 M554	G546-A550 PolarHBondContact O-N 2.75Å; H547-A550 WeakPolarHBondContact O-CB 3.49Å; H547-A550 PolarHBondContact O-N 3.32Å; L548-A550 PolarHBondContact O-N 3.4Å; A550-E552 VanDerWaalsContact C-N 3.3Å; A550-E552 PolarHBondContact O-N 2.85Å; A550-K553 PolarHBondContact O-N 3.24Å; A550-M554 HydrophobicContact CB-CE 4.38Å
551	T	95.6	Very high	95.5	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.006	35%	0.353	C	S	.	.	H	α-helix	trans	-61.6	-33.4	-178.1	70.1	0	0	0	0	113.1	H547 L548 R549 K553 M554 L559 I571	H547-T551 PolarHBondContact O-N 3.02Å; L548-T551 WeakPolarHBondContact O-CB 3.35Å; L548-T551 WeakPolarHBondContact O-CG2 3.39Å; L548-T551 PolarHBondContact O-N 3.32Å; L548-T551 PolarHBondContact O-OG1 3.06Å; R549-T551 VanDerWaalsContact C-N 3.27Å; R549-T551 PolarHBondContact O-N 2.95Å; T551-K553 PolarHBondContact O-N 3.17Å; T551-M554 HydrophobicContact CG2-CE 4.14Å; T551-M554 HydrophobicContact CG2-SD 4.35Å; T551-M554 WeakPolarHBondContact O-CB 3.45Å; T551-M554 PolarHBondContact O-N 3.45Å; T551-L559 HydrophobicContact CG2-CD2 4.42Å; T551-L559 WeakPolarHBondContact O-CD2 3.42Å; T551-I571 HydrophobicContact CG2-CD1 4.44Å; T551-I571 HydrophobicContact CG2-CG2 4.23Å
552	E	95.1	Very high	95.3	Very high	67 Å²	67	72.6 Å²	72.6	31%	0.313	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.3	177.7	-57.1	-173.1	132.4	0	0	113.5	A550 P573 F576	A550-E552 VanDerWaalsContact C-N 3.3Å; A550-E552 PolarHBondContact O-N 2.85Å; E552-P573 WeakPolarHBondContact CA-O 3.43Å; E552-F576 HydrophobicContact CG-CB 3.79Å; E552-F576 HydrophobicContact CG-CD1 4.43Å; E552-F576 HydrophobicContact CG-CG 4.39Å; E552-F576 WeakPolarHBondContact OE1-CD1 3.32Å
553	K	95.4	Very high	94.9	Very high	172 Å²	172	69.9 Å²	69.9	75%	0.748	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-2.3	-175.2	-67	158.5	-170.8	156.4	0	112.8	A550 T551	A550-K553 PolarHBondContact O-N 3.24Å; T551-K553 PolarHBondContact O-N 3.17Å
554	M	95.8	Very high	94.5	Very high	42 Å²	42	65.7 Å²	65.7	21%	0.207	31%	0.314	C	S	.	.	S	Bend	trans	-78.9	150.9	176.1	-65.3	-174.3	-167.7	0	0	111.5	A550 T551 E558 L559 E562	A550-M554 HydrophobicContact CB-CE 4.38Å; T551-M554 HydrophobicContact CG2-CE 4.14Å; T551-M554 HydrophobicContact CG2-SD 4.35Å; T551-M554 WeakPolarHBondContact O-CB 3.45Å; T551-M554 PolarHBondContact O-N 3.45Å; M554-E558 HydrophobicContact CB-CB 4.12Å; M554-L559 HydrophobicContact CB-CD2 3.78Å; M554-L559 HydrophobicContact CB-CG 3.88Å; M554-L559 HydrophobicContact CG-CD2 4.47Å; M554-L559 HydrophobicContact SD-CD2 4.16Å; M554-E562 HydrophobicContact CE-CG 4.45Å; M554-E562 HydrophobicContact SD-CB 4.46Å; M554-E562 HydrophobicContact SD-CG 4.38Å
555	K	93.9	Very high	94.2	Very high	136 Å²	136	70.6 Å²	70.6	59%	0.591	34%	0.34	S	S	*	.			trans	-78	154.5	173.7	-55.1	-178.9	-151.5	76.5	0	110	R557 E558 L559	K555-R557 PolarHBondContact O-N 2.72Å; K555-E558 WeakPolarHBondContact CB-OE2 3.15Å; K555-E558 WeakPolarHBondContact CG-OE2 3.43Å; K555-E558 PolarHBondContact N-OE2 2.98Å; K555-E558 IonicContact NZ-OE1 3.65Å; K555-E558 PolarHBondContact NZ-OE1 3.02Å; K555-E558 IonicContact NZ-OE2 2.68Å; K555-E558 PolarHBondContact NZ-OE2 3.36Å; K555-E558 WeakPolarHBondContact O-CA 3.43Å; K555-E558 WeakPolarHBondContact O-CB 3.22Å; K555-E558 PolarHBondContact O-N 2.75Å; K555-L559 PolarHBondContact O-N 2.74Å
556	T	91.6	Very high	93.8	Very high	67 Å²	67	72.2 Å²	72.2	41%	0.411	35%	0.348	S	S	.	.	H	α-helix	trans	-51.6	-29.3	-179.4	-40.5	0	0	0	0	115	L495 W496 H560	L495-T556 HydrophobicContact CB-CG2 4.39Å; L495-T556 HydrophobicContact CD1-CG2 3.73Å; W496-T556 HydrophobicContact CZ2-CG2 4.22Å; W496-T556 WeakPolarHBondContact CZ2-O 3.43Å; T556-H560 PolarHBondContact O-N 2.83Å; T556-H560 VanDerWaalsContact O-N 3.16Å
557	R	90.9	Very high	93.5	Very high	214 Å²	214	73.2 Å²	73.2	81%	0.808	35%	0.346	S	S	*	.	H	α-helix	trans	-81.2	-22	175.5	-71.3	-175.1	176.7	178.8	-0.3	114.6	K555 R561	K555-R557 PolarHBondContact O-N 2.72Å; R557-R561 WeakPolarHBondContact O-CG 3.32Å
558	E	93.6	Very high	93.3	Very high	70 Å²	70	72.4 Å²	72.4	33%	0.327	35%	0.347	S	S	.	.	H	α-helix	trans	-79.5	-48	172	-67.9	144.3	-164.2	0	0	107.6	M554 K555 H560 R561 E562	M554-E558 HydrophobicContact CB-CB 4.12Å; K555-E558 WeakPolarHBondContact CB-OE2 3.15Å; K555-E558 WeakPolarHBondContact CG-OE2 3.43Å; K555-E558 PolarHBondContact N-OE2 2.98Å; K555-E558 IonicContact NZ-OE1 3.65Å; K555-E558 PolarHBondContact NZ-OE1 3.02Å; K555-E558 IonicContact NZ-OE2 2.68Å; K555-E558 PolarHBondContact NZ-OE2 3.36Å; K555-E558 WeakPolarHBondContact O-CA 3.43Å; K555-E558 WeakPolarHBondContact O-CB 3.22Å; K555-E558 PolarHBondContact O-N 2.75Å; E558-H560 PolarHBondContact O-N 2.68Å; E558-R561 WeakPolarHBondContact O-CA 3.39Å; E558-R561 WeakPolarHBondContact O-CB 3.42Å; E558-R561 PolarHBondContact O-N 3Å; E558-E562 PolarHBondContact O-N 2.81Å
559	L	94.1	Very high	93.3	Very high	0 Å²	0	73 Å²	73	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-53.2	-42.1	173.2	-69.3	178.4	0	0	0	114.9	W496 T551 M554 K555 R561 E562 S563 I571 P573	W496-L559 HydrophobicContact CH2-CB 4.23Å; W496-L559 HydrophobicContact CZ2-CB 4.21Å; T551-L559 HydrophobicContact CG2-CD2 4.42Å; T551-L559 WeakPolarHBondContact O-CD2 3.42Å; M554-L559 HydrophobicContact CB-CD2 3.78Å; M554-L559 HydrophobicContact CB-CG 3.88Å; M554-L559 HydrophobicContact CG-CD2 4.47Å; M554-L559 HydrophobicContact SD-CD2 4.16Å; K555-L559 PolarHBondContact O-N 2.74Å; L559-R561 VanDerWaalsContact C-N 3.26Å; L559-R561 PolarHBondContact O-N 2.92Å; L559-E562 PolarHBondContact O-N 3.23Å; L559-S563 WeakPolarHBondContact O-CB 3.26Å; L559-S563 PolarHBondContact O-N 3.42Å; L559-S563 PolarHBondContact O-OG 3.16Å; L559-I571 HydrophobicContact CD2-CB 4.23Å; L559-I571 HydrophobicContact CD2-CG2 3.72Å; L559-P573 HydrophobicContact CD1-CG 3.88Å
560	H	92.3	Very high	93.2	Very high	89 Å²	89	70 Å²	70	41%	0.412	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-33.8	175.4	-178.3	-66.8	0	0	0	112.4	W496 T556 E558 S564	W496-H560 AromaticContact CD1-CD2 3.82Å; W496-H560 HydrophobicContact CD2-CB 4.33Å; W496-H560 AromaticContact CD2-CD2 3.56Å; W496-H560 AromaticContact CE2-CD2 3.77Å; W496-H560 AromaticContact CG-CD2 3.6Å; W496-H560 HydrophobicContact CH2-CB 4.04Å; W496-H560 HydrophobicContact CZ2-CB 3.58Å; W496-H560 AromaticContact NE1-CD2 3.91Å; T556-H560 PolarHBondContact O-N 2.83Å; T556-H560 VanDerWaalsContact O-N 3.16Å; E558-H560 PolarHBondContact O-N 2.68Å; H560-S564 PolarHBondContact O-OG 3.49Å
561	R	92.3	Very high	93.2	Very high	180 Å²	180	67.8 Å²	67.8	68%	0.679	32%	0.32	S	S	*	.	H	α-helix	trans	-75.3	-42.5	177	-64.9	169.5	177.6	175.7	-2.3	110.3	R557 E558 L559 S563 S564 N565	R557-R561 WeakPolarHBondContact O-CG 3.32Å; E558-R561 WeakPolarHBondContact O-CA 3.39Å; E558-R561 WeakPolarHBondContact O-CB 3.42Å; E558-R561 PolarHBondContact O-N 3Å; L559-R561 VanDerWaalsContact C-N 3.26Å; L559-R561 PolarHBondContact O-N 2.92Å; R561-S563 VanDerWaalsContact C-N 3.31Å; R561-S563 PolarHBondContact O-N 2.85Å; R561-S564 WeakPolarHBondContact O-CA 3.36Å; R561-S564 VanDerWaalsContact O-CB 3.25Å; R561-S564 WeakPolarHBondContact O-CB 3.42Å; R561-S564 PolarHBondContact O-N 3.22Å; R561-N565 PolarHBondContact O-N 2.96Å
562	E	92.6	Very high	93.1	Very high	30 Å²	30	67.9 Å²	67.9	14%	0.14	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-42.2	177.4	-157.2	55.2	-126.1	0	0	111.6	H547 M554 E558 L559 S564 N565 F566 I571	H547-E562 IonicContact CE1-OE1 3.19Å; H547-E562 PolarHBondContact CE1-OE1 2.73Å; H547-E562 VanDerWaalsContact CE1-OE1 3.27Å; H547-E562 IonicContact CE1-OE2 3.52Å; H547-E562 IonicContact NE2-OE1 2.77Å; H547-E562 PolarHBondContact NE2-OE1 3.04Å; M554-E562 HydrophobicContact CE-CG 4.45Å; M554-E562 HydrophobicContact SD-CB 4.46Å; M554-E562 HydrophobicContact SD-CG 4.38Å; E558-E562 PolarHBondContact O-N 2.81Å; L559-E562 PolarHBondContact O-N 3.23Å; E562-S564 PolarHBondContact O-N 3.3Å; E562-S564 VanDerWaalsContact O-N 3.09Å; E562-N565 VanDerWaalsContact CD-ND2 3.25Å; E562-N565 WeakPolarHBondContact O-CB 3.43Å; E562-N565 PolarHBondContact O-N 3.29Å; E562-N565 PolarHBondContact OE1-ND2 2.95Å; E562-N565 PolarHBondContact OE2-ND2 2.97Å; E562-F566 WeakPolarHBondContact O-CD2 3.4Å; E562-I571 HydrophobicContact CB-CD1 4.29Å; E562-I571 HydrophobicContact CG-CD1 4.18Å
563	S	90.9	Very high	93.2	Very high	10 Å²	10	67.3 Å²	67.3	7%	0.07	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-25.8	170.9	-53.2	0	0	0	0	113.4	W496 L559 R561 I571	W496-S563 WeakPolarHBondContact CH2-OG 2.9Å; W496-S563 WeakPolarHBondContact CZ3-OG 3.47Å; L559-S563 WeakPolarHBondContact O-CB 3.26Å; L559-S563 PolarHBondContact O-N 3.42Å; L559-S563 PolarHBondContact O-OG 3.16Å; R561-S563 VanDerWaalsContact C-N 3.31Å; R561-S563 PolarHBondContact O-N 2.85Å; S563-I571 WeakPolarHBondContact OG-CG1 3.44Å; S563-I571 PolarHBondContact OG-N 3.42Å
564	S	89.6	Confident	93.2	Very high	83 Å²	83	61.1 Å²	61.1	58%	0.58	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.7	180	-50.7	0	0	0	0	113.8	H560 R561 E562	H560-S564 PolarHBondContact O-OG 3.49Å; R561-S564 WeakPolarHBondContact O-CA 3.36Å; R561-S564 VanDerWaalsContact O-CB 3.25Å; R561-S564 WeakPolarHBondContact O-CB 3.42Å; R561-S564 PolarHBondContact O-N 3.22Å; E562-S564 PolarHBondContact O-N 3.3Å; E562-S564 VanDerWaalsContact O-N 3.09Å
565	N	90.9	Very high	93.4	Very high	110 Å²	110	59.1 Å²	59.1	59%	0.588	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-30.2	174.9	-64.3	-22.9	0	0	0	111.5	R561 E562	R561-N565 PolarHBondContact O-N 2.96Å; E562-N565 VanDerWaalsContact CD-ND2 3.25Å; E562-N565 WeakPolarHBondContact O-CB 3.43Å; E562-N565 PolarHBondContact O-N 3.29Å; E562-N565 PolarHBondContact OE1-ND2 2.95Å; E562-N565 PolarHBondContact OE2-ND2 2.97Å
566	F	91.4	Very high	93.6	Very high	35 Å²	35	53 Å²	53	15%	0.154	27%	0.265	C	S	.	.	S	Bend	trans	-96.1	164.5	179.7	-59.2	-73	0	0	0	111.3	Y544 E562 I569 A616 A617	Y544-F566 HydrophobicContact CE2-CE1 4.35Å; E562-F566 WeakPolarHBondContact O-CD2 3.4Å; F566-I569 HydrophobicContact CB-CB 3.81Å; F566-I569 HydrophobicContact CB-CG1 3.82Å; F566-I569 HydrophobicContact CB-CG2 4.16Å; F566-I569 HydrophobicContact CD2-CG2 4.34Å; F566-A616 HydrophobicContact CD1-CB 4.42Å; F566-A616 HydrophobicContact CE1-CB 4.38Å; F566-A617 HydrophobicContact CB-CB 4.41Å; F566-A617 WeakPolarHBondContact CB-O 3.33Å; F566-A617 HydrophobicContact CD1-CB 3.82Å; F566-A617 VanDerWaalsContact CD1-O 3.31Å; F566-A617 WeakPolarHBondContact CD1-O 3.35Å; F566-A617 HydrophobicContact CD2-CB 4.38Å; F566-A617 HydrophobicContact CE1-CB 4.19Å; F566-A617 HydrophobicContact CG-CB 3.93Å
567	D	90.8	Very high	93.9	Very high	53 Å²	53	51.9 Å²	51.9	28%	0.283	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-92.2	129.3	173.7	-146.8	-57.8	0	0	0	111.7	K51 I569 G619	K51-D567 IonicContact NZ-OD2 3.76Å; K51-D567 PolarHBondContact NZ-OD2 3.46Å; D567-I569 VanDerWaalsContact C-N 3.34Å; D567-I569 PolarHBondContact O-N 3.38Å; D567-G619 PolarHBondContact O-N 3.49Å; D567-G619 VanDerWaalsContact O-N 3.1Å
568	S	91.6	Very high	94.3	Very high	46 Å²	46	42 Å²	42	32%	0.322	23%	0.226	S	C	.	.	S	Bend	trans	52.6	47.1	175.6	-57.7	0	0	0	0	114	F620	S568-F620 WeakPolarHBondContact O-CD1 3.42Å; S568-F620 WeakPolarHBondContact O-CE1 3.38Å; S568-F620 PolarHBondContact O-N 2.94Å
569	I	96.2	Very high	94.5	Very high	15 Å²	15	38.8 Å²	38.8	8%	0.077	21%	0.212	C	C	.	.			trans	-121.6	149.3	-179.6	-76.2	-71.1	0	0	0	111.2	F566 D567 I571 A617 C621 F622	F566-I569 HydrophobicContact CB-CB 3.81Å; F566-I569 HydrophobicContact CB-CG1 3.82Å; F566-I569 HydrophobicContact CB-CG2 4.16Å; F566-I569 HydrophobicContact CD2-CG2 4.34Å; D567-I569 VanDerWaalsContact C-N 3.34Å; D567-I569 PolarHBondContact O-N 3.38Å; I569-I571 HydrophobicContact CG2-CD1 4.18Å; I569-I571 HydrophobicContact CG2-CG1 3.79Å; I569-A617 HydrophobicContact CD1-CB 3.8Å; I569-A617 HydrophobicContact CG1-CB 3.88Å; I569-C621 WeakPolarHBondContact CD1-O 3.31Å; I569-F622 HydrophobicContact CD1-CE1 4.03Å; I569-F622 HydrophobicContact CD1-CE2 4.19Å; I569-F622 HydrophobicContact CD1-CZ 3.82Å; I569-F622 HydrophobicContact CG2-CE1 3.82Å; I569-F622 HydrophobicContact CG2-CZ 3.85Å
570	Y	95.6	Very high	94.7	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.012	22%	0.221	C	C	.	.			trans	-136.5	137.5	169.3	74	-92.4	0	0	0	110.3	H492 N494 H500 E502 R606 F622	H492-Y570 AromaticContact CD2-CZ 3.85Å; H492-Y570 PolarHBondContact CD2-OH 2.83Å; H492-Y570 VanDerWaalsContact CD2-OH 3.31Å; H492-Y570 AromaticContact CE1-CD2 3.89Å; H492-Y570 AromaticContact CE1-CE2 3.29Å; H492-Y570 WeakPolarHBondContact CE1-CE2 3.38Å; H492-Y570 AromaticContact CE1-CZ 3.56Å; H492-Y570 PolarHBondContact CE1-O 3.31Å; H492-Y570 AromaticContact ND1-CE2 3.78Å; H492-Y570 AromaticContact NE2-CE1 3.89Å; H492-Y570 AromaticContact NE2-CE2 3.52Å; H492-Y570 AromaticContact NE2-CZ 3.25Å; H492-Y570 PolarHBondContact NE2-OH 3.25Å; N494-Y570 VanDerWaalsContact CA-CD2 3.48Å; N494-Y570 HydrophobicContact CB-CD1 4.34Å; N494-Y570 HydrophobicContact CB-CD2 3.7Å; N494-Y570 HydrophobicContact CB-CE2 3.94Å; N494-Y570 HydrophobicContact CB-CG 3.91Å; H500-Y570 AromaticContact CE1-CD1 3.34Å; H500-Y570 WeakPolarHBondContact CE1-CD1 3.3Å; H500-Y570 AromaticContact CE1-CE1 3.27Å; H500-Y570 WeakPolarHBondContact CE1-CE1 3.38Å; H500-Y570 AromaticContact ND1-CD1 3.72Å; H500-Y570 AromaticContact ND1-CE1 3.41Å; H500-Y570 WeakPolarHBondContact ND1-CE1 3.19Å; H500-Y570 AromaticContact NE2-CD1 3.58Å; E502-Y570 HydrophobicContact CB-CE1 4.41Å; E502-Y570 PolarHBondContact O-OH 3.42Å; E502-Y570 PolarHBondContact OE2-OH 2.86Å; Y570-R606 PolarHBondContact OH-NH2 3.5Å; Y570-F622 WeakPolarHBondContact O-CZ 3.41Å
571	I	95.9	Very high	95	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.			trans	-124.1	124.5	-173.2	-47.3	179.5	0	0	0	111.2	W496 T551 L559 E562 S563 I569 T575 F622	W496-I571 WeakPolarHBondContact CH2-O 3.45Å; T551-I571 HydrophobicContact CG2-CD1 4.44Å; T551-I571 HydrophobicContact CG2-CG2 4.23Å; L559-I571 HydrophobicContact CD2-CB 4.23Å; L559-I571 HydrophobicContact CD2-CG2 3.72Å; E562-I571 HydrophobicContact CB-CD1 4.29Å; E562-I571 HydrophobicContact CG-CD1 4.18Å; S563-I571 WeakPolarHBondContact OG-CG1 3.44Å; S563-I571 PolarHBondContact OG-N 3.42Å; I569-I571 HydrophobicContact CG2-CD1 4.18Å; I569-I571 HydrophobicContact CG2-CG1 3.79Å; I571-T575 HydrophobicContact CG2-CG2 4.11Å; I571-F622 HydrophobicContact CD1-CE1 4.45Å; I571-F622 HydrophobicContact CG1-CE1 4.03Å; I571-F622 HydrophobicContact CG1-CZ 4.31Å
572	C	95.3	Very high	95.3	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.02	17%	0.174	C	C	.	.			trans	-110.1	168.6	167.6	83.6	0	0	0	0	110.1	N491 C493 L495 S574 T575	N491-C572 PolarHBondContact O-SG 2.89Å; C493-C572 WeakPolarHBondContact O-CB 3.37Å; L495-C572 HydrophobicContact CD1-CB 3.91Å; L495-C572 HydrophobicContact CG-CB 4.13Å; C572-S574 PolarHBondContact O-N 2.67Å; C572-S574 PolarHBondContact SG-N 2.87Å; C572-S574 VanDerWaalsContact SG-N 3.4Å; C572-T575 PolarHBondContact N-OG1 3.11Å; C572-T575 WeakPolarHBondContact O-CB 3.4Å; C572-T575 PolarHBondContact O-N 3.46Å; C572-T575 PolarHBondContact O-OG1 2.99Å
573	P	95.6	Very high	95.6	Very high	55 Å²	55	27.4 Å²	27.4	36%	0.357	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.4	179.7	-25.7	35.5	0	0	0	114.6	E552 L559	E552-P573 WeakPolarHBondContact CA-O 3.43Å; L559-P573 HydrophobicContact CD1-CG 3.88Å
574	S	97.4	Very high	96	Very high	42 Å²	42	26.9 Å²	26.9	29%	0.294	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-4.3	179.4	-45.1	0	0	0	0	114	C572 F576 A577 C578	C572-S574 PolarHBondContact O-N 2.67Å; C572-S574 PolarHBondContact SG-N 2.87Å; C572-S574 VanDerWaalsContact SG-N 3.4Å; S574-F576 PolarHBondContact O-N 3.31Å; S574-A577 PolarHBondContact O-N 3.48Å; S574-C578 PolarHBondContact O-N 2.91Å; S574-C578 PolarHBondContact O-SG 2.84Å
575	T	97.9	Very high	96.4	Very high	1 Å²	1	23 Å²	23	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-55	-48	-173.5	-72.7	0	0	0	0	112.7	H492 I571 C572 C578 A579 F622	H492-T575 PolarHBondContact CE1-OG1 3.06Å; H492-T575 PolarHBondContact ND1-OG1 2.91Å; I571-T575 HydrophobicContact CG2-CG2 4.11Å; C572-T575 PolarHBondContact N-OG1 3.11Å; C572-T575 WeakPolarHBondContact O-CB 3.4Å; C572-T575 PolarHBondContact O-N 3.46Å; C572-T575 PolarHBondContact O-OG1 2.99Å; T575-C578 PolarHBondContact O-N 3.47Å; T575-A579 WeakPolarHBondContact O-CB 3.36Å; T575-A579 PolarHBondContact O-N 2.89Å; T575-F622 HydrophobicContact CG2-CD1 3.71Å; T575-F622 HydrophobicContact CG2-CD2 3.89Å; T575-F622 HydrophobicContact CG2-CE1 3.5Å; T575-F622 HydrophobicContact CG2-CE2 3.69Å; T575-F622 HydrophobicContact CG2-CG 3.9Å; T575-F622 HydrophobicContact CG2-CZ 3.48Å; T575-F622 VanDerWaalsContact CG2-CZ 3.48Å
576	F	98.3	Very high	96.8	Very high	6 Å²	6	17.7 Å²	17.7	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-51.4	-179.6	179	-91.2	0	0	0	111.4	V545 L548 R549 E552 S574 C578 A579 Q580 F623	V545-F576 HydrophobicContact CG1-CE2 4.46Å; L548-F576 HydrophobicContact CB-CD2 3.89Å; R549-F576 HydrophobicContact CB-CD2 3.93Å; R549-F576 HydrophobicContact CB-CE1 4.31Å; R549-F576 HydrophobicContact CB-CE2 3.67Å; R549-F576 HydrophobicContact CB-CG 4.36Å; R549-F576 HydrophobicContact CB-CZ 3.91Å; R549-F576 HydrophobicContact CG-CD1 4.26Å; R549-F576 HydrophobicContact CG-CE1 3.96Å; R549-F576 HydrophobicContact CG-CE2 4.22Å; R549-F576 HydrophobicContact CG-CZ 3.95Å; E552-F576 HydrophobicContact CG-CB 3.79Å; E552-F576 HydrophobicContact CG-CD1 4.43Å; E552-F576 HydrophobicContact CG-CG 4.39Å; E552-F576 WeakPolarHBondContact OE1-CD1 3.32Å; S574-F576 PolarHBondContact O-N 3.31Å; F576-C578 PolarHBondContact O-N 3.47Å; F576-A579 PolarHBondContact O-N 3.09Å; F576-Q580 VanDerWaalsContact CE1-OE1 3.28Å; F576-Q580 VanDerWaalsContact O-CB 3.24Å; F576-Q580 WeakPolarHBondContact O-CB 3.42Å; F576-Q580 PolarHBondContact O-N 3.24Å; F576-F623 HydrophobicContact CD2-CE2 4.13Å; F576-F623 AromaticContact CD2-CZ 3.98Å; F576-F623 HydrophobicContact CD2-CZ 3.98Å; F576-F623 HydrophobicContact CE2-CE2 4Å; F576-F623 AromaticContact CE2-CZ 3.7Å; F576-F623 HydrophobicContact CE2-CZ 3.7Å
577	A	98.3	Very high	97.2	Very high	45 Å²	45	16 Å²	16	37%	0.372	10%	0.101	S	C	.	.	H	α-helix	trans	-60.6	-40.7	179	0	0	0	0	0	113.1	S574 L581	S574-A577 PolarHBondContact O-N 3.48Å; A577-L581 VanDerWaalsContact O-CB 3.32Å; A577-L581 WeakPolarHBondContact O-CB 3.45Å; A577-L581 PolarHBondContact O-N 3.26Å
578	C	98.7	Very high	97.5	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.034	10%	0.096	C	C	.	.	H	α-helix	trans	-68	-43.2	176.5	-63.8	0	0	0	0	112.3	S488 H492 S574 T575 F576 L581 A582	S488-C578 PolarHBondContact O-SG 3.35Å; H492-C578 HydrophobicContact CB-CB 3.75Å; H492-C578 PolarHBondContact N-SG 2.95Å; H492-C578 VanDerWaalsContact N-SG 3.43Å; S574-C578 PolarHBondContact O-N 2.91Å; S574-C578 PolarHBondContact O-SG 2.84Å; T575-C578 PolarHBondContact O-N 3.47Å; F576-C578 PolarHBondContact O-N 3.47Å; C578-L581 PolarHBondContact O-N 3.49Å; C578-A582 WeakPolarHBondContact O-CB 3.4Å; C578-A582 PolarHBondContact O-N 3.34Å
579	A	98.7	Very high	97.9	Very high	3 Å²	3	13.6 Å²	13.6	3%	0.025	8%	0.081	C	C	.	.	H	α-helix	trans	-64.5	-43.6	176.5	0	0	0	0	0	111.5	T575 F576 L581 A582 T583 P607 F622 F623	T575-A579 WeakPolarHBondContact O-CB 3.36Å; T575-A579 PolarHBondContact O-N 2.89Å; F576-A579 PolarHBondContact O-N 3.09Å; A579-L581 VanDerWaalsContact C-N 3.29Å; A579-L581 PolarHBondContact O-N 3Å; A579-A582 PolarHBondContact O-N 2.94Å; A579-T583 PolarHBondContact O-N 2.84Å; A579-T583 PolarHBondContact O-OG1 3.14Å; A579-P607 HydrophobicContact CB-CG 3.78Å; A579-F622 HydrophobicContact CB-CB 3.82Å; A579-F622 HydrophobicContact CB-CG 4.5Å; A579-F623 HydrophobicContact CB-CD2 3.78Å; A579-F623 HydrophobicContact CB-CE2 4.16Å
580	Q	98.6	Very high	98	Very high	41 Å²	41	12.9 Å²	12.9	19%	0.192	8%	0.077	C	C	.	.	H	α-helix	trans	-59.7	-39.6	174.8	-170.9	-178.1	19.2	0	0	111.5	P530 A531 L536 F576 G584	P530-Q580 HydrophobicContact CB-CG 3.8Å; A531-Q580 HydrophobicContact CB-CG 4.19Å; A531-Q580 WeakPolarHBondContact CB-O 3.45Å; A531-Q580 PolarHBondContact N-O 2.88Å; A531-Q580 WeakPolarHBondContact O-CG 3.36Å; A531-Q580 PolarHBondContact O-NE2 3.1Å; L536-Q580 HydrophobicContact CD1-CG 4.49Å; F576-Q580 VanDerWaalsContact CE1-OE1 3.28Å; F576-Q580 VanDerWaalsContact O-CB 3.24Å; F576-Q580 WeakPolarHBondContact O-CB 3.42Å; F576-Q580 PolarHBondContact O-N 3.24Å; Q580-G584 PolarHBondContact O-N 3.49Å
581	L	98.8	Very high	98.1	Very high	19 Å²	19	15.1 Å²	15.1	10%	0.099	9%	0.088	C	C	.	.	H	α-helix	trans	-70.7	-39	176.1	-173.8	57.4	0	0	0	112.8	D486 S488 M489 P528 A577 C578 A579 G584 A585	D486-L581 HydrophobicContact CB-CD2 3.82Å; D486-L581 HydrophobicContact CB-CG 4.49Å; S488-L581 WeakPolarHBondContact OG-CD2 3.44Å; M489-L581 HydrophobicContact CG-CB 4.37Å; M489-L581 HydrophobicContact CG-CD2 4.04Å; M489-L581 HydrophobicContact CG-CG 4.18Å; P528-L581 HydrophobicContact CB-CD1 4.02Å; P528-L581 HydrophobicContact CG-CD1 4.49Å; A577-L581 VanDerWaalsContact O-CB 3.32Å; A577-L581 WeakPolarHBondContact O-CB 3.45Å; A577-L581 PolarHBondContact O-N 3.26Å; C578-L581 PolarHBondContact O-N 3.49Å; A579-L581 VanDerWaalsContact C-N 3.29Å; A579-L581 PolarHBondContact O-N 3Å; L581-G584 PolarHBondContact O-N 3.45Å; L581-A585 WeakPolarHBondContact O-CB 3.4Å; L581-A585 PolarHBondContact O-N 3.34Å
582	A	98.8	Very high	98.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.3	-49	174.8	0	0	0	0	0	111.9	M489 C578 A579 A585 A586 V605	M489-A582 HydrophobicContact SD-CB 3.98Å; C578-A582 WeakPolarHBondContact O-CB 3.4Å; C578-A582 PolarHBondContact O-N 3.34Å; A579-A582 PolarHBondContact O-N 2.94Å; A582-A585 PolarHBondContact O-N 2.54Å; A582-A586 PolarHBondContact O-N 2.68Å; A582-V605 HydrophobicContact CB-CB 3.9Å; A582-V605 HydrophobicContact CB-CG1 4.49Å; A582-V605 HydrophobicContact CB-CG2 4.47Å
583	T	98.9	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.6	-40.8	177.8	-56.6	0	0	0	0	112.4	A531 L536 A579 A586 C587 F623 S625 V628	A531-T583 HydrophobicContact CB-CG2 3.93Å; L536-T583 HydrophobicContact CD2-CG2 3.98Å; A579-T583 PolarHBondContact O-N 2.84Å; A579-T583 PolarHBondContact O-OG1 3.14Å; T583-A586 PolarHBondContact O-N 3.19Å; T583-C587 PolarHBondContact O-N 2.91Å; T583-C587 PolarHBondContact O-SG 3.49Å; T583-F623 WeakPolarHBondContact OG1-CB 3.41Å; T583-S625 WeakPolarHBondContact CA-OG 3.39Å; T583-S625 PolarHBondContact N-OG 2.79Å; T583-S625 PolarHBondContact OG1-OG 3.09Å; T583-V628 HydrophobicContact CG2-CB 3.63Å; T583-V628 HydrophobicContact CG2-CG1 3.48Å; T583-V628 VanDerWaalsContact CG2-CG1 3.48Å; T583-V628 HydrophobicContact CG2-CG2 4.15Å
584	G	98.8	Very high	98.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-73.7	-26.7	179.2	0	0	0	0	0	113.8	R529 Q580 L581 C587 R588	R529-G584 CarbonylContact O-C 3.45Å; R529-G584 WeakPolarHBondContact O-CA 3.31Å; Q580-G584 PolarHBondContact O-N 3.49Å; L581-G584 PolarHBondContact O-N 3.45Å; G584-C587 PolarHBondContact O-N 3.41Å; G584-R588 WeakPolarHBondContact O-CB 3.38Å; G584-R588 PolarHBondContact O-N 3.28Å
585	A	98.8	Very high	98	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.5	-42.5	168.7	0	0	0	0	0	111.8	V484 P528 R529 L581 A582 R588 L589 V605	V484-A585 HydrophobicContact CG1-CB 3.72Å; P528-A585 HydrophobicContact CB-CB 3.84Å; R529-A585 PolarHBondContact O-N 2.82Å; L581-A585 WeakPolarHBondContact O-CB 3.4Å; L581-A585 PolarHBondContact O-N 3.34Å; A582-A585 PolarHBondContact O-N 2.54Å; A585-R588 PolarHBondContact O-N 3.13Å; A585-L589 PolarHBondContact O-N 2.98Å; A585-L589 VanDerWaalsContact O-N 3.12Å; A585-V605 HydrophobicContact CB-CG1 3.72Å
586	A	98.8	Very high	97.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.3	-43.9	172.6	0	0	0	0	0	111.9	A582 T583 R588 L589 V590 A629 I777	A582-A586 PolarHBondContact O-N 2.68Å; T583-A586 PolarHBondContact O-N 3.19Å; A586-R588 VanDerWaalsContact C-N 3.32Å; A586-R588 PolarHBondContact O-N 3.49Å; A586-L589 PolarHBondContact O-N 2.93Å; A586-V590 PolarHBondContact O-N 2.87Å; A586-A629 HydrophobicContact CB-CB 4.01Å; A586-I777 HydrophobicContact CB-CD1 3.85Å; A586-I777 HydrophobicContact CB-CG1 4.32Å; A586-I777 HydrophobicContact CB-CG2 4.47Å
587	C	98.8	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-38.8	174.7	-63	0	0	0	0	112.5	T583 G584 L589 V590 E591	T583-C587 PolarHBondContact O-N 2.91Å; T583-C587 PolarHBondContact O-SG 3.49Å; G584-C587 PolarHBondContact O-N 3.41Å; C587-L589 VanDerWaalsContact C-N 3.35Å; C587-L589 PolarHBondContact O-N 3.06Å; C587-V590 WeakPolarHBondContact O-CB 3.26Å; C587-V590 PolarHBondContact O-N 3.35Å; C587-E591 WeakPolarHBondContact O-CG 3.32Å; C587-E591 PolarHBondContact O-N 2.71Å
588	R	98.6	Very high	97.4	Very high	47 Å²	47	20.2 Å²	20.2	18%	0.177	12%	0.116	C	C	.	.	H	α-helix	trans	-66.8	-32.2	176.6	176.8	59.9	-173	97.2	-3.4	113.6	R529 G584 A585 A586 E591 A592 E597	R529-R588 HydrophobicContact CG-CB 4.26Å; G584-R588 WeakPolarHBondContact O-CB 3.38Å; G584-R588 PolarHBondContact O-N 3.28Å; A585-R588 PolarHBondContact O-N 3.13Å; A586-R588 VanDerWaalsContact C-N 3.32Å; A586-R588 PolarHBondContact O-N 3.49Å; R588-E591 WeakPolarHBondContact CA-OE2 3.26Å; R588-E591 WeakPolarHBondContact CD-OE2 3.37Å; R588-E591 WeakPolarHBondContact O-CB 3.35Å; R588-A592 PolarHBondContact O-N 2.85Å; R588-A592 VanDerWaalsContact O-N 3.13Å; R588-E597 IonicContact CZ-OE1 3.22Å; R588-E597 IonicContact CZ-OE2 3.99Å; R588-E597 IonicContact NH1-OE2 3.08Å; R588-E597 PolarHBondContact NH1-OE2 3.32Å; R588-E597 IonicContact NH2-OE1 2.67Å; R588-E597 PolarHBondContact NH2-OE1 2.7Å; R588-E597 IonicContact NH2-OE2 3.52Å; R588-E597 PolarHBondContact NH2-OE2 3.39Å
589	L	98.6	Very high	97.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-75.2	-36	174.6	-174.7	51.3	0	0	0	111.5	V484 L526 A585 A586 C587 E591 A592 V593 V598 A603 I775	V484-L589 HydrophobicContact CG2-CB 3.91Å; V484-L589 HydrophobicContact CG2-CD1 4.29Å; V484-L589 HydrophobicContact CG2-CD2 4.14Å; V484-L589 HydrophobicContact CG2-CG 4.33Å; L526-L589 HydrophobicContact CD1-CD1 3.67Å; A585-L589 PolarHBondContact O-N 2.98Å; A585-L589 VanDerWaalsContact O-N 3.12Å; A586-L589 PolarHBondContact O-N 2.93Å; C587-L589 VanDerWaalsContact C-N 3.35Å; C587-L589 PolarHBondContact O-N 3.06Å; L589-E591 VanDerWaalsContact C-N 3.35Å; L589-A592 HydrophobicContact CD1-CB 4.47Å; L589-A592 WeakPolarHBondContact O-CB 3.41Å; L589-A592 PolarHBondContact O-N 3.35Å; L589-V593 HydrophobicContact CD1-CG2 4.37Å; L589-V593 WeakPolarHBondContact O-CG2 3.32Å; L589-V593 PolarHBondContact O-N 3.36Å; L589-V598 HydrophobicContact CD1-CG2 4.28Å; L589-A603 HydrophobicContact CD2-CB 4.21Å; L589-I775 HydrophobicContact CB-CG2 4.48Å; L589-I775 HydrophobicContact CD2-CB 4.5Å; L589-I775 HydrophobicContact CD2-CG1 4.45Å; L589-I775 HydrophobicContact CD2-CG2 3.58Å; L589-I775 HydrophobicContact CG-CD1 4.12Å; L589-I775 HydrophobicContact CG-CG1 4.08Å; L589-I775 HydrophobicContact CG-CG2 3.92Å
590	V	98.6	Very high	97.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59	-44.5	168	162.2	0	0	0	0	111.5	A586 C587 A592 V593 L594 A629 A633 I636 L734 L736 I775	A586-V590 PolarHBondContact O-N 2.87Å; C587-V590 WeakPolarHBondContact O-CB 3.26Å; C587-V590 PolarHBondContact O-N 3.35Å; V590-A592 VanDerWaalsContact C-N 3.31Å; V590-A592 PolarHBondContact O-N 3.09Å; V590-V593 PolarHBondContact O-N 3.12Å; V590-L594 HydrophobicContact CG1-CD1 3.94Å; V590-L594 HydrophobicContact CG1-CG 4.47Å; V590-L594 WeakPolarHBondContact O-CB 3.35Å; V590-L594 PolarHBondContact O-N 3.32Å; V590-A629 HydrophobicContact CG2-CB 3.99Å; V590-A633 HydrophobicContact CG1-CB 3.59Å; V590-I636 HydrophobicContact CG1-CD1 4.17Å; V590-L734 HydrophobicContact CG2-CD2 4.46Å; V590-L736 HydrophobicContact CG2-CD2 4.28Å; V590-I775 HydrophobicContact CB-CD1 4.26Å; V590-I775 HydrophobicContact CG2-CD1 3.58Å
591	E	98.2	Very high	97.1	Very high	51 Å²	51	18.2 Å²	18.2	24%	0.238	11%	0.106	C	C	.	.	H	α-helix	trans	-57.5	-42.6	174.2	-73.1	161.7	177.8	0	0	111.8	R529 C587 R588 L589 S595 H632 I636	R529-E591 IonicContact CZ-OE1 3.89Å; R529-E591 IonicContact NE-OE1 3.88Å; R529-E591 PolarHBondContact NE-OE1 3.5Å; R529-E591 IonicContact NE-OE2 3.94Å; R529-E591 PolarHBondContact NE-OE2 3.45Å; R529-E591 IonicContact NH2-OE1 3.86Å; R529-E591 PolarHBondContact NH2-OE1 2.83Å; R529-E591 IonicContact NH2-OE2 3.27Å; C587-E591 WeakPolarHBondContact O-CG 3.32Å; C587-E591 PolarHBondContact O-N 2.71Å; R588-E591 WeakPolarHBondContact CA-OE2 3.26Å; R588-E591 WeakPolarHBondContact CD-OE2 3.37Å; R588-E591 WeakPolarHBondContact O-CB 3.35Å; L589-E591 VanDerWaalsContact C-N 3.35Å; E591-S595 VanDerWaalsContact O-CB 3.25Å; E591-S595 WeakPolarHBondContact O-CB 3.19Å; E591-S595 PolarHBondContact O-N 3.27Å; E591-S595 VanDerWaalsContact O-N 3.12Å; E591-S595 PolarHBondContact O-OG 3Å; E591-H632 IonicContact OE1-CD2 2.85Å; E591-H632 IonicContact OE1-CE1 3.25Å; E591-H632 PolarHBondContact OE1-CE1 3.26Å; E591-H632 IonicContact OE1-NE2 3.51Å; E591-H632 PolarHBondContact OE1-NE2 2.96Å; E591-I636 HydrophobicContact CG-CD1 4.15Å
592	A	97.3	Very high	97.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.7	-46.6	179.3	0	0	0	0	0	112.6	L526 R588 L589 V590 S595 G596 E597 V598	L526-A592 HydrophobicContact CD1-CB 3.49Å; L526-A592 VanDerWaalsContact CD1-CB 3.49Å; L526-A592 HydrophobicContact CD2-CB 4.39Å; R588-A592 PolarHBondContact O-N 2.85Å; R588-A592 VanDerWaalsContact O-N 3.13Å; L589-A592 HydrophobicContact CD1-CB 4.47Å; L589-A592 WeakPolarHBondContact O-CB 3.41Å; L589-A592 PolarHBondContact O-N 3.35Å; V590-A592 VanDerWaalsContact C-N 3.31Å; V590-A592 PolarHBondContact O-N 3.09Å; A592-S595 PolarHBondContact O-OG 3.05Å; A592-G596 PolarHBondContact O-N 2.72Å; A592-E597 WeakPolarHBondContact CA-OE2 3.04Å; A592-E597 HydrophobicContact CB-CB 4.11Å; A592-E597 HydrophobicContact CB-CG 4.49Å; A592-E597 WeakPolarHBondContact CB-OE2 3.12Å; A592-E597 PolarHBondContact O-N 2.85Å; A592-V598 HydrophobicContact CB-CG2 3.76Å; A592-V598 PolarHBondContact O-N 3.33Å
593	V	96.5	Very high	97.1	Very high	6 Å²	6	17.4 Å²	17.4	4%	0.036	10%	0.101	C	C	.	.	H	α-helix	trans	-69.3	-40.5	-177.5	168.4	0	0	0	0	112.1	L589 V590 V598 L734 R773 I775	L589-V593 HydrophobicContact CD1-CG2 4.37Å; L589-V593 WeakPolarHBondContact O-CG2 3.32Å; L589-V593 PolarHBondContact O-N 3.36Å; V590-V593 PolarHBondContact O-N 3.12Å; V593-V598 HydrophobicContact CG2-CG2 3.79Å; V593-L734 HydrophobicContact CG1-CD1 4.01Å; V593-R773 HydrophobicContact CG1-CB 3.62Å; V593-R773 HydrophobicContact CG1-CG 3.74Å; V593-I775 HydrophobicContact CB-CD1 4.11Å; V593-I775 HydrophobicContact CG2-CD1 3.91Å; V593-I775 HydrophobicContact CG2-CG1 3.9Å
594	L	94.8	Very high	97.1	Very high	51 Å²	51	17.4 Å²	17.4	27%	0.267	10%	0.101	S	C	.	.	H	α-helix	trans	-81.7	-15.7	-179.7	-64.6	-176.9	0	0	0	114	V590 A633 I636 L641	V590-L594 HydrophobicContact CG1-CD1 3.94Å; V590-L594 HydrophobicContact CG1-CG 4.47Å; V590-L594 WeakPolarHBondContact O-CB 3.35Å; V590-L594 PolarHBondContact O-N 3.32Å; L594-A633 HydrophobicContact CD1-CB 3.8Å; L594-I636 HydrophobicContact CB-CD1 4.4Å; L594-I636 HydrophobicContact CD1-CD1 4.14Å; L594-I636 HydrophobicContact CD1-CG1 4.14Å; L594-L641 HydrophobicContact CD1-CD2 4.17Å; L594-L641 HydrophobicContact CD2-CD2 4.3Å
595	S	93.3	Very high	97.1	Very high	89 Å²	89	17.5 Å²	17.5	62%	0.622	10%	0.102	S	C	*	.	H	α-helix	trans	-92.7	-10.7	171.6	61	0	0	0	0	114.3	E591 A592	E591-S595 VanDerWaalsContact O-CB 3.25Å; E591-S595 WeakPolarHBondContact O-CB 3.19Å; E591-S595 PolarHBondContact O-N 3.27Å; E591-S595 VanDerWaalsContact O-N 3.12Å; E591-S595 PolarHBondContact O-OG 3Å; A592-S595 PolarHBondContact O-OG 3.05Å
596	G	91.1	Very high	97.1	Very high	38 Å²	38	17.5 Å²	17.5	39%	0.392	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	23.7	-175	0	0	0	0	0	114.1	L477 A592 V598	L477-G596 VanDerWaalsContact CD2-O 3.22Å; L477-G596 WeakPolarHBondContact CD2-O 3.17Å; A592-G596 PolarHBondContact O-N 2.72Å; G596-V598 VanDerWaalsContact C-N 3.35Å
597	E	94.1	Very high	97	Very high	73 Å²	73	17.6 Å²	17.6	34%	0.341	10%	0.103	S	C	.	.	S	Bend	trans	-70.9	-34.6	168	-175.5	-176.8	-157.6	0	0	110.9	L524 R588 A592	L524-E597 HydrophobicContact CD2-CG 3.97Å; R588-E597 IonicContact CZ-OE1 3.22Å; R588-E597 IonicContact CZ-OE2 3.99Å; R588-E597 IonicContact NH1-OE2 3.08Å; R588-E597 PolarHBondContact NH1-OE2 3.32Å; R588-E597 IonicContact NH2-OE1 2.67Å; R588-E597 PolarHBondContact NH2-OE1 2.7Å; R588-E597 IonicContact NH2-OE2 3.52Å; R588-E597 PolarHBondContact NH2-OE2 3.39Å; A592-E597 WeakPolarHBondContact CA-OE2 3.04Å; A592-E597 HydrophobicContact CB-CB 4.11Å; A592-E597 HydrophobicContact CB-CG 4.49Å; A592-E597 WeakPolarHBondContact CB-OE2 3.12Å; A592-E597 PolarHBondContact O-N 2.85Å
598	V	95.7	Very high	97	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	10%	0.104	C	C	.	.			trans	-141.7	162.6	171.4	-58.3	0	0	0	0	110.4	S479 L524 L589 A592 V593 G596 N600	S479-V598 WeakPolarHBondContact O-CA 3.44Å; L524-V598 HydrophobicContact CB-CG1 4.04Å; L524-V598 HydrophobicContact CD2-CG1 3.77Å; L524-V598 HydrophobicContact CG-CG1 4.45Å; L589-V598 HydrophobicContact CD1-CG2 4.28Å; A592-V598 HydrophobicContact CB-CG2 3.76Å; A592-V598 PolarHBondContact O-N 3.33Å; V593-V598 HydrophobicContact CG2-CG2 3.79Å; G596-V598 VanDerWaalsContact C-N 3.35Å; V598-N600 WeakPolarHBondContact CG2-O 3.38Å
599	L	94.6	Very high	97	Very high	8 Å²	8	15.5 Å²	15.5	4%	0.042	10%	0.095	C	C	.	.	S	Bend	trans	-78.2	-46	173	-176.4	64.5	0	0	0	111.6	P406 L477 R480 S771 R773	P406-L599 HydrophobicContact CB-CD1 3.94Å; P406-L599 HydrophobicContact CB-CD2 4.01Å; P406-L599 HydrophobicContact CG-CD1 3.9Å; P406-L599 HydrophobicContact CG-CD2 4.2Å; L477-L599 HydrophobicContact CD1-CB 3.63Å; L477-L599 HydrophobicContact CD1-CD1 3.81Å; L477-L599 HydrophobicContact CD1-CG 4.3Å; R480-L599 HydrophobicContact CG-CB 4.26Å; R480-L599 HydrophobicContact CG-CD2 3.97Å; R480-L599 WeakPolarHBondContact O-CA 3.5Å; R480-L599 WeakPolarHBondContact O-CB 3.45Å; R480-L599 PolarHBondContact O-N 2.82Å; L599-S771 WeakPolarHBondContact CD1-O 3.46Å; L599-R773 WeakPolarHBondContact O-CA 3.43Å
600	N	97.9	Very high	97	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	-179.2	-169.8	63.9	35.5	0	0	0	110.8	R480 T481 G482 V598 G772 I774 L798	R480-N600 PolarHBondContact O-N 3.5Å; R480-N600 VanDerWaalsContact O-N 3.07Å; R480-N600 PolarHBondContact O-OD1 2.96Å; T481-N600 CarbonylContact C-O 3.42Å; T481-N600 WeakPolarHBondContact CA-O 3.43Å; T481-N600 VanDerWaalsContact CA-OD1 3.29Å; T481-N600 WeakPolarHBondContact CA-OD1 3.36Å; T481-N600 VanDerWaalsContact CB-OD1 3.3Å; T481-N600 WeakPolarHBondContact CB-OD1 3.26Å; T481-N600 WeakPolarHBondContact CG2-OD1 3.43Å; T481-N600 PolarHBondContact OG1-OD1 3.37Å; G482-N600 PolarHBondContact N-O 2.77Å; V598-N600 WeakPolarHBondContact CG2-O 3.38Å; N600-G772 WeakPolarHBondContact CB-O 3.24Å; N600-I774 CarbonylContact C-O 3.55Å; N600-I774 VanDerWaalsContact CA-O 3.27Å; N600-I774 WeakPolarHBondContact CA-O 3.22Å; N600-I774 VanDerWaalsContact CB-O 3.28Å; N600-I774 WeakPolarHBondContact CB-O 3.31Å; N600-L798 HydrophobicContact CB-CD2 4.11Å; N600-L798 PolarHBondContact ND2-O 3.2Å; N600-L798 PolarHBondContact OD1-O 2.89Å
601	G	98.2	Very high	97	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	-178.5	170.7	0	0	0	0	0	117.8	G482 I774 I775 L776	G482-G601 CarbonylContact O-C 3.59Å; G482-G601 WeakPolarHBondContact O-CA 3.37Å; G601-I774 PolarHBondContact N-O 2.9Å; G601-I775 WeakPolarHBondContact O-CA 3.36Å; G601-L776 PolarHBondContact O-N 3.26Å
602	A	98.8	Very high	97	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.008	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.2	176.4	0	0	0	0	0	111.9	G482 L483 V484 L776 M791 L798	G482-A602 PolarHBondContact O-N 2.97Å; L483-A602 WeakPolarHBondContact CA-O 3.26Å; L483-A602 HydrophobicContact CD1-CB 4.32Å; V484-A602 PolarHBondContact N-O 2.83Å; A602-L776 CarbonylContact C-O 3.59Å; A602-L776 WeakPolarHBondContact CA-O 3.22Å; A602-L776 HydrophobicContact CB-CB 4.5Å; A602-M791 HydrophobicContact CB-SD 4.28Å; A602-L798 HydrophobicContact CB-CD1 4.29Å
603	A	98.8	Very high	97	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	104.1	173	0	0	0	0	0	109.5	L589 V605 L776 I777 L778	L589-A603 HydrophobicContact CD2-CB 4.21Å; A603-V605 VanDerWaalsContact C-N 3.29Å; A603-V605 HydrophobicContact CB-CG1 3.95Å; A603-V605 HydrophobicContact CB-CG2 4.48Å; A603-V605 PolarHBondContact O-N 2.96Å; A603-V605 VanDerWaalsContact O-N 3.08Å; A603-L776 PolarHBondContact N-O 3.4Å; A603-I777 HydrophobicContact CB-CG1 4.45Å; A603-L778 PolarHBondContact O-N 3.15Å; A603-L778 VanDerWaalsContact O-N 3.1Å
604	V	98.8	Very high	97.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.118	C	C	.	.			trans	-87	72.7	179.8	-174.1	0	0	0	0	108.6	L483 V484 Y485 I507 I510 M511 L514 L778 M791	L483-V604 HydrophobicContact CD1-CG2 3.89Å; V484-V604 PolarHBondContact O-N 3.26Å; Y485-V604 HydrophobicContact CD2-CB 4.34Å; Y485-V604 HydrophobicContact CD2-CG1 4.2Å; I507-V604 HydrophobicContact CB-CG1 3.9Å; I507-V604 HydrophobicContact CG2-CG1 3.95Å; I507-V604 WeakPolarHBondContact CG2-O 3.18Å; I510-V604 HydrophobicContact CB-CG1 3.91Å; I510-V604 HydrophobicContact CD1-CG1 4.31Å; I510-V604 HydrophobicContact CG2-CB 4.44Å; I510-V604 HydrophobicContact CG2-CG1 3.6Å; I510-V604 HydrophobicContact CG2-CG2 3.88Å; M511-V604 HydrophobicContact CG-CG1 4.21Å; M511-V604 HydrophobicContact SD-CB 4.21Å; M511-V604 HydrophobicContact SD-CG1 4.34Å; M511-V604 HydrophobicContact SD-CG2 4.08Å; L514-V604 HydrophobicContact CD1-CG2 4.35Å; V604-L778 HydrophobicContact CG1-CD2 4.47Å; V604-M791 HydrophobicContact CG2-CE 4.41Å
605	V	98.7	Very high	97.2	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	13%	0.134	C	C	.	.			trans	-109.9	159.3	-167.7	-65.3	0	0	0	0	113.6	M489 I507 A582 A585 A603 I777	M489-V605 HydrophobicContact CE-CB 4.31Å; M489-V605 HydrophobicContact CE-CG1 4.03Å; M489-V605 HydrophobicContact SD-CB 3.84Å; M489-V605 HydrophobicContact SD-CG1 3.96Å; I507-V605 WeakPolarHBondContact CG2-O 3.24Å; A582-V605 HydrophobicContact CB-CB 3.9Å; A582-V605 HydrophobicContact CB-CG1 4.49Å; A582-V605 HydrophobicContact CB-CG2 4.47Å; A585-V605 HydrophobicContact CB-CG1 3.72Å; A603-V605 VanDerWaalsContact C-N 3.29Å; A603-V605 HydrophobicContact CB-CG1 3.95Å; A603-V605 HydrophobicContact CB-CG2 4.48Å; A603-V605 PolarHBondContact O-N 2.96Å; A603-V605 VanDerWaalsContact O-N 3.08Å; V605-I777 HydrophobicContact CG2-CG2 3.89Å
606	R	98.3	Very high	97.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-162.3	155.5	164.9	63.3	179.2	-67.5	-85.4	7	111.5	M489 H492 E502 V503 I507 Y570	M489-R606 HydrophobicContact CB-CG 4.14Å; M489-R606 WeakPolarHBondContact CB-O 3.42Å; M489-R606 WeakPolarHBondContact CG-O 3.44Å; M489-R606 PolarHBondContact O-NH1 3.23Å; M489-R606 PolarHBondContact SD-N 2.9Å; H492-R606 VanDerWaalsContact O-CZ 3.26Å; H492-R606 PolarHBondContact O-NH1 3.39Å; H492-R606 PolarHBondContact O-NH2 3.19Å; E502-R606 IonicContact OE1-CZ 3.03Å; E502-R606 IonicContact OE1-NE 2.74Å; E502-R606 PolarHBondContact OE1-NE 2.96Å; E502-R606 IonicContact OE1-NH2 2.72Å; E502-R606 PolarHBondContact OE1-NH2 3.34Å; E502-R606 IonicContact OE2-CZ 3.34Å; E502-R606 IonicContact OE2-NE 3.49Å; E502-R606 IonicContact OE2-NH2 2.73Å; E502-R606 PolarHBondContact OE2-NH2 3.16Å; V503-R606 PolarHBondContact O-NE 3.49Å; I507-R606 HydrophobicContact CD1-CG 3.84Å; I507-R606 HydrophobicContact CG1-CG 4.09Å; I507-R606 HydrophobicContact CG2-CB 4.13Å; I507-R606 HydrophobicContact CG2-CG 3.8Å; Y570-R606 PolarHBondContact OH-NH2 3.5Å
607	P	98.4	Very high	97.6	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.013	10%	0.099	C	C	.	.	S	Bend	cis	-62.4	162.8	-2.8	25.5	-34.7	0	0	0	114.1	A579 F622	A579-P607 HydrophobicContact CB-CG 3.78Å; P607-F622 HydrophobicContact CB-CD2 3.83Å; P607-F622 HydrophobicContact CB-CE2 4.18Å; P607-F622 HydrophobicContact CG-CD2 3.64Å; P607-F622 HydrophobicContact CG-CE2 4.27Å
608	P	98.4	Very high	97.8	Very high	4 Å²	4	16.5 Å²	16.5	3%	0.026	9%	0.089	C	C	.	.			trans	-64.9	175.4	173.3	29	-35.8	0	0	0	112.6	F620 C621 E779	P608-F620 HydrophobicContact CG-CB 3.97Å; P608-C621 VanDerWaalsContact C-SG 3.54Å; P608-C621 VanDerWaalsContact O-CA 3.28Å; P608-C621 WeakPolarHBondContact O-CA 3.49Å; P608-E779 VanDerWaalsContact CB-OE2 3.24Å; P608-E779 WeakPolarHBondContact CB-OE2 3.49Å
609	G	98.3	Very high	97.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.09	C	C	.	.			trans	-133.2	-28.2	-175.6	0	0	0	0	0	117.7	H611 A612 C621 F623 N624 E779	G609-H611 VanDerWaalsContact C-N 3.27Å; G609-H611 PolarHBondContact O-N 2.97Å; G609-H611 VanDerWaalsContact O-N 3.08Å; G609-A612 VanDerWaalsContact O-CB 3.3Å; G609-A612 WeakPolarHBondContact O-CB 3.38Å; G609-A612 PolarHBondContact O-N 2.77Å; G609-C621 VanDerWaalsContact C-SG 3.57Å; G609-C621 PolarHBondContact N-SG 3.4Å; G609-C621 VanDerWaalsContact N-SG 3.45Å; G609-F623 WeakPolarHBondContact CA-O 3.41Å; G609-N624 WeakPolarHBondContact O-CA 3.45Å; G609-N624 WeakPolarHBondContact O-CB 3.32Å; G609-E779 PolarHBondContact N-OE1 3.09Å; G609-E779 PolarHBondContact N-OE2 2.84Å
610	H	98.3	Very high	97.9	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.8	-163.1	76.8	143	0	0	0	115.8	D647 D649 G653 G655 T656 E779	H610-D647 IonicContact CG-OD2 3.84Å; H610-D647 IonicContact ND1-OD1 3.79Å; H610-D647 PolarHBondContact ND1-OD1 3.2Å; H610-D647 IonicContact ND1-OD2 3Å; H610-D647 PolarHBondContact ND1-OD2 3.09Å; H610-D647 VanDerWaalsContact ND1-OD2 3.1Å; H610-D649 VanDerWaalsContact CE1-CB 3.49Å; H610-D649 WeakPolarHBondContact CE1-CB 3.44Å; H610-D649 IonicContact CE1-OD1 3.55Å; H610-D649 IonicContact CE1-OD2 2.66Å; H610-D649 IonicContact NE2-OD1 2.79Å; H610-D649 IonicContact NE2-OD2 3.19Å; H610-G653 WeakPolarHBondContact ND1-CA 3.48Å; H610-G653 CarbonylContact O-C 3.57Å; H610-G653 WeakPolarHBondContact O-CA 3.5Å; H610-G655 PolarHBondContact O-N 2.92Å; H610-T656 WeakPolarHBondContact CA-OG1 3.31Å; H610-T656 PolarHBondContact O-N 2.91Å; H610-T656 VanDerWaalsContact O-N 3.11Å; H610-T656 PolarHBondContact O-OG1 2.94Å; H610-E779 HydrophobicContact CB-CG 4.28Å; H610-E779 IonicContact CD2-OE2 3.97Å; H610-E779 PolarHBondContact CD2-OE2 2.9Å; H610-E779 VanDerWaalsContact CD2-OE2 3.29Å; H610-E779 IonicContact CG-OE2 3.79Å; H610-E779 PolarHBondContact N-OE2 2.83Å
611	H	98.5	Very high	97.9	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.019	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-8.2	172.6	-68.4	-57.8	0	0	0	114.7	G609 E613 C618 C621 H651 H652 N654 F680	G609-H611 VanDerWaalsContact C-N 3.27Å; G609-H611 PolarHBondContact O-N 2.97Å; G609-H611 VanDerWaalsContact O-N 3.08Å; H611-E613 PolarHBondContact O-N 3.5Å; H611-C618 HydrophobicContact CB-CB 4.25Å; H611-C618 WeakPolarHBondContact CB-O 3.28Å; H611-C618 WeakPolarHBondContact O-CB 3.48Å; H611-C621 HydrophobicContact CB-CB 4Å; H611-C621 PolarHBondContact N-SG 3.04Å; H611-H651 VanDerWaalsContact CE1-CB 3.49Å; H611-H651 WeakPolarHBondContact CE1-CB 3.33Å; H611-H651 WeakPolarHBondContact NE2-CB 3.36Å; H611-H651 AromaticContact NE2-CG 3.98Å; H611-H652 PolarHBondContact CE1-O 2.7Å; H611-H652 PolarHBondContact ND1-O 3.37Å; H611-N654 PolarHBondContact ND1-OD1 2.91Å; H611-N654 PolarHBondContact O-ND2 3.33Å; H611-F680 AromaticContact CD2-CE1 3.92Å; H611-F680 AromaticContact CE1-CD1 3.95Å; H611-F680 AromaticContact CE1-CE1 3.69Å; H611-F680 AromaticContact NE2-CD1 3.83Å; H611-F680 AromaticContact NE2-CE1 3.5Å
612	A	98.4	Very high	97.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.			trans	-77.2	124.1	-174	0	0	0	0	0	112.2	G609 C621 N624 G655	G609-A612 VanDerWaalsContact O-CB 3.3Å; G609-A612 WeakPolarHBondContact O-CB 3.38Å; G609-A612 PolarHBondContact O-N 2.77Å; A612-C621 HydrophobicContact CB-CB 3.86Å; A612-N624 HydrophobicContact CB-CB 4.35Å; A612-G655 WeakPolarHBondContact O-CA 3.48Å
613	E	98.1	Very high	97.9	Very high	36 Å²	36	16.8 Å²	16.8	17%	0.168	9%	0.091	C	C	.	.			trans	-87.3	173.7	-177.5	-67.1	-66.7	173.4	0	0	112.4	H540 H611 D615 A616 N654 H658	H540-E613 PolarHBondContact CE1-O 3.13Å; H540-E613 VanDerWaalsContact CE1-O 3.24Å; H540-E613 PolarHBondContact ND1-O 2.94Å; H611-E613 PolarHBondContact O-N 3.5Å; E613-D615 PolarHBondContact O-N 2.69Å; E613-A616 HydrophobicContact CB-CB 4.21Å; E613-A616 PolarHBondContact N-O 2.93Å; E613-N654 PolarHBondContact OE1-ND2 3.41Å; E613-H658 IonicContact OE1-CE1 2.67Å; E613-H658 PolarHBondContact OE1-CE1 2.82Å; E613-H658 IonicContact OE1-ND1 2.74Å; E613-H658 PolarHBondContact OE1-ND1 3.09Å; E613-H658 IonicContact OE2-CG 3.63Å; E613-H658 IonicContact OE2-ND1 3.64Å; E613-H658 PolarHBondContact OE2-ND1 3.36Å; E613-H658 VanDerWaalsContact OE2-ND1 3.17Å
614	Q	97.5	Very high	97.9	Very high	119 Å²	119	16.8 Å²	16.8	56%	0.556	9%	0.091	S	C	*	.	S	Bend	trans	-58.4	-33.2	175.6	175.9	164.5	80.4	0	0	113.1	C539 H540 S541 M659	C539-Q614 WeakPolarHBondContact O-CG 3.35Å; H540-Q614 CarbonylContact C-O 3.1Å; H540-Q614 WeakPolarHBondContact CA-O 3.41Å; S541-Q614 PolarHBondContact N-O 2.88Å; S541-Q614 PolarHBondContact OG-O 3.33Å; Q614-M659 HydrophobicContact CB-CE 4.23Å
615	D	97.1	Very high	97.9	Very high	113 Å²	113	16.9 Å²	16.9	60%	0.604	9%	0.091	S	C	*	.	S	Bend	trans	-130.9	4.7	-176.6	70.5	-25	0	0	0	115.1	Y544 E613	Y544-D615 VanDerWaalsContact CD2-C 3.42Å; Y544-D615 WeakPolarHBondContact CD2-O 3.38Å; E613-D615 PolarHBondContact O-N 2.69Å
616	A	96.8	Very high	97.9	Very high	30 Å²	30	16.8 Å²	16.8	25%	0.248	9%	0.091	C	C	.	.			trans	-142.3	144.2	-176	0	0	0	0	0	115	F566 E613	F566-A616 HydrophobicContact CD1-CB 4.42Å; F566-A616 HydrophobicContact CE1-CB 4.38Å; E613-A616 HydrophobicContact CB-CB 4.21Å; E613-A616 PolarHBondContact N-O 2.93Å
617	A	97.2	Very high	97.9	Very high	2 Å²	2	16.8 Å²	16.8	2%	0.017	9%	0.091	C	C	.	.			trans	-84.3	142.4	167.7	0	0	0	0	0	109.7	Y544 F566 I569 C621 F622	Y544-A617 HydrophobicContact CE2-CB 4.35Å; Y544-A617 VanDerWaalsContact OH-CA 3.27Å; Y544-A617 WeakPolarHBondContact OH-CA 3.38Å; Y544-A617 WeakPolarHBondContact OH-CB 3.49Å; Y544-A617 PolarHBondContact OH-N 3.44Å; Y544-A617 VanDerWaalsContact OH-N 3.15Å; F566-A617 HydrophobicContact CB-CB 4.41Å; F566-A617 WeakPolarHBondContact CB-O 3.33Å; F566-A617 HydrophobicContact CD1-CB 3.82Å; F566-A617 VanDerWaalsContact CD1-O 3.31Å; F566-A617 WeakPolarHBondContact CD1-O 3.35Å; F566-A617 HydrophobicContact CD2-CB 4.38Å; F566-A617 HydrophobicContact CE1-CB 4.19Å; F566-A617 HydrophobicContact CG-CB 3.93Å; I569-A617 HydrophobicContact CD1-CB 3.8Å; I569-A617 HydrophobicContact CG1-CB 3.88Å; A617-C621 WeakPolarHBondContact CA-O 3.45Å; A617-C621 WeakPolarHBondContact CB-O 3.4Å; A617-F622 HydrophobicContact CB-CD1 4.04Å; A617-F622 HydrophobicContact CB-CE1 4.26Å
618	C	96.6	Very high	98	Very high	22 Å²	22	16.7 Å²	16.7	15%	0.149	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-154.8	148.7	179.4	-167.2	0	0	0	0	110.1	H611 F620 C621	H611-C618 HydrophobicContact CB-CB 4.25Å; H611-C618 WeakPolarHBondContact CB-O 3.28Å; H611-C618 WeakPolarHBondContact O-CB 3.48Å; C618-F620 PolarHBondContact O-N 3.33Å; C618-C621 PolarHBondContact N-O 3.13Å; C618-C621 WeakPolarHBondContact O-CA 3.47Å; C618-C621 VanDerWaalsContact O-CB 3.24Å; C618-C621 WeakPolarHBondContact O-CB 3.43Å; C618-C621 PolarHBondContact O-N 3.41Å
619	G	95.3	Very high	98	Very high	2 Å²	2	16.5 Å²	16.5	2%	0.021	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	51.6	167.4	0	0	0	0	0	114.1	D567 C621	D567-G619 PolarHBondContact O-N 3.49Å; D567-G619 VanDerWaalsContact O-N 3.1Å; G619-C621 PolarHBondContact O-N 3.23Å; G619-C621 PolarHBondContact O-SG 3Å
620	F	97.4	Very high	98	Very high	11 Å²	11	16.5 Å²	16.5	5%	0.048	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	-5.3	-173.5	-33.3	-49.7	0	0	0	116.3	M56 H500 P501 E502 S568 P608 C618 F622 Y782	M56-F620 HydrophobicContact CE-CZ 4.4Å; H500-F620 AromaticContact CE1-CD1 3.4Å; H500-F620 WeakPolarHBondContact CE1-CD1 3.45Å; H500-F620 AromaticContact CE1-CE1 3.32Å; H500-F620 WeakPolarHBondContact CE1-CE1 3.49Å; H500-F620 AromaticContact NE2-CD1 3.63Å; H500-F620 AromaticContact NE2-CE1 3.24Å; H500-F620 WeakPolarHBondContact NE2-CE1 3.42Å; P501-F620 HydrophobicContact CG-CE2 4.45Å; P501-F620 HydrophobicContact CG-CZ 4.05Å; E502-F620 HydrophobicContact CB-CB 4.34Å; E502-F620 HydrophobicContact CB-CD2 4Å; E502-F620 HydrophobicContact CB-CE2 4.48Å; E502-F620 HydrophobicContact CB-CG 4.01Å; E502-F620 HydrophobicContact CG-CB 4.15Å; E502-F620 HydrophobicContact CG-CD2 4.29Å; E502-F620 HydrophobicContact CG-CG 4.3Å; S568-F620 WeakPolarHBondContact O-CD1 3.42Å; S568-F620 WeakPolarHBondContact O-CE1 3.38Å; S568-F620 PolarHBondContact O-N 2.94Å; P608-F620 HydrophobicContact CG-CB 3.97Å; C618-F620 PolarHBondContact O-N 3.33Å; F620-F622 WeakPolarHBondContact O-CD2 3.44Å; F620-F622 VanDerWaalsContact O-CE2 3.32Å; F620-F622 WeakPolarHBondContact O-CE2 3.34Å; F620-Y782 HydrophobicContact CD2-CE1 4.13Å; F620-Y782 WeakPolarHBondContact CD2-OH 3.19Å; F620-Y782 HydrophobicContact CE2-CE1 4.03Å; F620-Y782 AromaticContact CE2-CZ 3.88Å
621	C	98.5	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-91.8	143.3	-175	-56.8	0	0	0	0	112.8	I569 P608 G609 H611 A612 A617 C618 G619	I569-C621 WeakPolarHBondContact CD1-O 3.31Å; P608-C621 VanDerWaalsContact C-SG 3.54Å; P608-C621 VanDerWaalsContact O-CA 3.28Å; P608-C621 WeakPolarHBondContact O-CA 3.49Å; G609-C621 VanDerWaalsContact C-SG 3.57Å; G609-C621 PolarHBondContact N-SG 3.4Å; G609-C621 VanDerWaalsContact N-SG 3.45Å; H611-C621 HydrophobicContact CB-CB 4Å; H611-C621 PolarHBondContact N-SG 3.04Å; A612-C621 HydrophobicContact CB-CB 3.86Å; A617-C621 WeakPolarHBondContact CA-O 3.45Å; A617-C621 WeakPolarHBondContact CB-O 3.4Å; C618-C621 PolarHBondContact N-O 3.13Å; C618-C621 WeakPolarHBondContact O-CA 3.47Å; C618-C621 VanDerWaalsContact O-CB 3.24Å; C618-C621 WeakPolarHBondContact O-CB 3.43Å; C618-C621 PolarHBondContact O-N 3.41Å; G619-C621 PolarHBondContact O-N 3.23Å; G619-C621 PolarHBondContact O-SG 3Å
622	F	98.5	Very high	98	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	10%	0.101	C	C	.	.	S	Bend	trans	-122.8	-46.4	-177.4	-67.8	-82.3	0	0	0	113.7	H492 Y544 L548 I569 Y570 I571 T575 A579 P607 A617 F620	H492-F622 AromaticContact CE1-CE2 3.6Å; H492-F622 AromaticContact NE2-CE2 3.74Å; Y544-F622 WeakPolarHBondContact CE1-O 3.45Å; Y544-F622 PolarHBondContact OH-O 2.78Å; L548-F622 HydrophobicContact CD1-CB 4.14Å; L548-F622 HydrophobicContact CD1-CD1 4.19Å; L548-F622 HydrophobicContact CD2-CD1 4.08Å; I569-F622 HydrophobicContact CD1-CE1 4.03Å; I569-F622 HydrophobicContact CD1-CE2 4.19Å; I569-F622 HydrophobicContact CD1-CZ 3.82Å; I569-F622 HydrophobicContact CG2-CE1 3.82Å; I569-F622 HydrophobicContact CG2-CZ 3.85Å; Y570-F622 WeakPolarHBondContact O-CZ 3.41Å; I571-F622 HydrophobicContact CD1-CE1 4.45Å; I571-F622 HydrophobicContact CG1-CE1 4.03Å; I571-F622 HydrophobicContact CG1-CZ 4.31Å; T575-F622 HydrophobicContact CG2-CD1 3.71Å; T575-F622 HydrophobicContact CG2-CD2 3.89Å; T575-F622 HydrophobicContact CG2-CE1 3.5Å; T575-F622 HydrophobicContact CG2-CE2 3.69Å; T575-F622 HydrophobicContact CG2-CG 3.9Å; T575-F622 HydrophobicContact CG2-CZ 3.48Å; T575-F622 VanDerWaalsContact CG2-CZ 3.48Å; A579-F622 HydrophobicContact CB-CB 3.82Å; A579-F622 HydrophobicContact CB-CG 4.5Å; P607-F622 HydrophobicContact CB-CD2 3.83Å; P607-F622 HydrophobicContact CB-CE2 4.18Å; P607-F622 HydrophobicContact CG-CD2 3.64Å; P607-F622 HydrophobicContact CG-CE2 4.27Å; A617-F622 HydrophobicContact CB-CD1 4.04Å; A617-F622 HydrophobicContact CB-CE1 4.26Å; F620-F622 WeakPolarHBondContact O-CD2 3.44Å; F620-F622 VanDerWaalsContact O-CE2 3.32Å; F620-F622 WeakPolarHBondContact O-CE2 3.34Å
623	F	98.8	Very high	98	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.009	10%	0.101	C	C	.	.	S	Bend	trans	-128.3	139.1	170.3	-61.8	-51.2	0	0	0	107.8	L536 H540 Y544 V545 L548 F576 A579 T583 G609 S625	L536-F623 HydrophobicContact CD1-CD2 4.27Å; L536-F623 HydrophobicContact CD1-CE1 4.42Å; L536-F623 HydrophobicContact CD1-CE2 3.87Å; L536-F623 HydrophobicContact CD1-CZ 3.96Å; L536-F623 HydrophobicContact CD2-CB 4.04Å; L536-F623 HydrophobicContact CD2-CD1 4.09Å; L536-F623 HydrophobicContact CD2-CD2 3.71Å; L536-F623 HydrophobicContact CD2-CE2 4.18Å; L536-F623 HydrophobicContact CD2-CG 3.69Å; H540-F623 AromaticContact CD2-CD1 3.73Å; H540-F623 WeakPolarHBondContact NE2-CA 3.42Å; Y544-F623 HydrophobicContact CD1-CE1 4.49Å; Y544-F623 HydrophobicContact CE1-CD1 4.21Å; Y544-F623 HydrophobicContact CE1-CE1 4.12Å; V545-F623 HydrophobicContact CG2-CE1 4.02Å; L548-F623 HydrophobicContact CB-CZ 4.37Å; L548-F623 HydrophobicContact CD1-CD1 4.34Å; L548-F623 HydrophobicContact CD1-CE1 3.66Å; L548-F623 HydrophobicContact CD1-CZ 3.74Å; F576-F623 HydrophobicContact CD2-CE2 4.13Å; F576-F623 AromaticContact CD2-CZ 3.98Å; F576-F623 HydrophobicContact CD2-CZ 3.98Å; F576-F623 HydrophobicContact CE2-CE2 4Å; F576-F623 AromaticContact CE2-CZ 3.7Å; F576-F623 HydrophobicContact CE2-CZ 3.7Å; A579-F623 HydrophobicContact CB-CD2 3.78Å; A579-F623 HydrophobicContact CB-CE2 4.16Å; T583-F623 WeakPolarHBondContact OG1-CB 3.41Å; G609-F623 WeakPolarHBondContact CA-O 3.41Å; F623-S625 VanDerWaalsContact C-N 3.3Å; F623-S625 PolarHBondContact O-N 3.28Å
624	N	98.8	Very high	98	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.			trans	-78.1	86.4	-179.1	-167.3	-38.8	0	0	0	109.3	H540 G609 A612 V626 A627 V628 T656	H540-N624 PolarHBondContact CE1-N 2.88Å; H540-N624 PolarHBondContact NE2-N 3.07Å; G609-N624 WeakPolarHBondContact O-CA 3.45Å; G609-N624 WeakPolarHBondContact O-CB 3.32Å; A612-N624 HydrophobicContact CB-CB 4.35Å; N624-V626 PolarHBondContact O-N 2.91Å; N624-V626 PolarHBondContact OD1-N 2.74Å; N624-A627 HydrophobicContact CB-CB 3.9Å; N624-A627 VanDerWaalsContact CG-CB 3.47Å; N624-A627 PolarHBondContact O-N 3.05Å; N624-A627 WeakPolarHBondContact OD1-CB 3.32Å; N624-A627 PolarHBondContact OD1-N 3.47Å; N624-V628 WeakPolarHBondContact O-CG2 3.28Å; N624-V628 PolarHBondContact O-N 3.29Å; N624-T656 VanDerWaalsContact ND2-CA 3.31Å; N624-T656 WeakPolarHBondContact ND2-CA 3.27Å; N624-T656 PolarHBondContact ND2-N 2.86Å; N624-T656 VanDerWaalsContact ND2-N 3.12Å; N624-T656 PolarHBondContact ND2-OG1 3.3Å
625	S	98.6	Very high	98	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.014	10%	0.098	C	C	.	.	H	α-helix	trans	-56.9	-34.5	-175.1	-63.8	0	0	0	0	112.8	T583 F623 A629	T583-S625 WeakPolarHBondContact CA-OG 3.39Å; T583-S625 PolarHBondContact N-OG 2.79Å; T583-S625 PolarHBondContact OG1-OG 3.09Å; F623-S625 VanDerWaalsContact C-N 3.3Å; F623-S625 PolarHBondContact O-N 3.28Å; S625-A629 WeakPolarHBondContact O-CB 3.27Å; S625-A629 PolarHBondContact O-N 2.66Å
626	V	98.8	Very high	98	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-72.9	-47	177.6	-173.1	0	0	0	0	111	N624 A629 A630 I645 L736 I777	N624-V626 PolarHBondContact O-N 2.91Å; N624-V626 PolarHBondContact OD1-N 2.74Å; V626-A629 PolarHBondContact O-N 3.42Å; V626-A630 PolarHBondContact O-N 2.84Å; V626-I645 HydrophobicContact CG1-CD1 4.26Å; V626-I645 HydrophobicContact CG1-CG1 4.4Å; V626-I645 HydrophobicContact CG1-CG2 3.75Å; V626-L736 HydrophobicContact CG1-CB 3.98Å; V626-L736 HydrophobicContact CG1-CD1 4.05Å; V626-I777 HydrophobicContact CB-CD1 4.35Å; V626-I777 HydrophobicContact CG1-CD1 4.44Å; V626-I777 HydrophobicContact CG2-CB 4.04Å; V626-I777 HydrophobicContact CG2-CD1 3.92Å; V626-I777 HydrophobicContact CG2-CG2 4.05Å
627	A	98.8	Very high	97.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.5	-42.8	178.8	0	0	0	0	0	112.5	C539 N624 A630 R631 M659 F660	C539-A627 VanDerWaalsContact SG-C 3.59Å; N624-A627 HydrophobicContact CB-CB 3.9Å; N624-A627 VanDerWaalsContact CG-CB 3.47Å; N624-A627 PolarHBondContact O-N 3.05Å; N624-A627 WeakPolarHBondContact OD1-CB 3.32Å; N624-A627 PolarHBondContact OD1-N 3.47Å; A627-A630 WeakPolarHBondContact O-CB 3.14Å; A627-A630 PolarHBondContact O-N 3.43Å; A627-R631 WeakPolarHBondContact O-CG 3.28Å; A627-R631 PolarHBondContact O-N 2.93Å; A627-M659 HydrophobicContact CB-CB 4.26Å; A627-M659 HydrophobicContact CB-CG 4.26Å; A627-F660 HydrophobicContact CB-CE2 3.52Å; A627-F660 HydrophobicContact CB-CZ 3.73Å
628	V	98.9	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-38.9	175.7	173.9	0	0	0	0	110.8	E535 C539 T583 N624 A630 R631 H632	E535-V628 HydrophobicContact CB-CG1 3.97Å; E535-V628 WeakPolarHBondContact O-CG1 3.39Å; C539-V628 HydrophobicContact CB-CG2 3.76Å; T583-V628 HydrophobicContact CG2-CB 3.63Å; T583-V628 HydrophobicContact CG2-CG1 3.48Å; T583-V628 VanDerWaalsContact CG2-CG1 3.48Å; T583-V628 HydrophobicContact CG2-CG2 4.15Å; N624-V628 WeakPolarHBondContact O-CG2 3.28Å; N624-V628 PolarHBondContact O-N 3.29Å; V628-A630 PolarHBondContact O-N 3.25Å; V628-R631 PolarHBondContact O-N 3.49Å; V628-H632 VanDerWaalsContact O-CB 3.32Å; V628-H632 WeakPolarHBondContact O-CB 3.43Å; V628-H632 PolarHBondContact O-N 3.06Å
629	A	98.8	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.6	-38	173.6	0	0	0	0	0	112.5	A586 V590 S625 V626 H632 A633 L736 I777	A586-A629 HydrophobicContact CB-CB 4.01Å; V590-A629 HydrophobicContact CG2-CB 3.99Å; S625-A629 WeakPolarHBondContact O-CB 3.27Å; S625-A629 PolarHBondContact O-N 2.66Å; V626-A629 PolarHBondContact O-N 3.42Å; A629-H632 PolarHBondContact O-N 3.33Å; A629-A633 WeakPolarHBondContact O-CB 3.45Å; A629-A633 PolarHBondContact O-N 2.92Å; A629-L736 HydrophobicContact CB-CD1 4.38Å; A629-I777 HydrophobicContact CB-CD1 4.37Å
630	A	98.8	Very high	97.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.5	-44.5	173.7	0	0	0	0	0	112.4	V626 A627 V628 H632 A633 Q634 I643 I645 F660 L736	V626-A630 PolarHBondContact O-N 2.84Å; A627-A630 WeakPolarHBondContact O-CB 3.14Å; A627-A630 PolarHBondContact O-N 3.43Å; V628-A630 PolarHBondContact O-N 3.25Å; A630-H632 VanDerWaalsContact C-N 3.33Å; A630-H632 PolarHBondContact O-N 3.36Å; A630-A633 WeakPolarHBondContact O-CB 3.49Å; A630-A633 PolarHBondContact O-N 2.77Å; A630-Q634 WeakPolarHBondContact O-CG 3.38Å; A630-Q634 PolarHBondContact O-N 3.32Å; A630-Q634 VanDerWaalsContact O-N 3.1Å; A630-I643 HydrophobicContact CB-CD1 3.86Å; A630-I643 HydrophobicContact CB-CG2 4.32Å; A630-I643 VanDerWaalsContact O-CD1 3.31Å; A630-I643 WeakPolarHBondContact O-CD1 3.34Å; A630-I645 HydrophobicContact CB-CD1 4.29Å; A630-F660 HydrophobicContact CB-CE1 4.5Å; A630-F660 HydrophobicContact CB-CZ 3.92Å; A630-L736 HydrophobicContact CB-CD1 3.78Å
631	R	98.6	Very high	97	Very high	54 Å²	54	26.8 Å²	26.8	20%	0.204	17%	0.167	C	C	.	.	H	α-helix	trans	-64.5	-37	174.9	-68.1	-63.4	178.6	-154.4	0.7	112.2	T538 A627 V628 Q634 A635 M659 F660 D663	T538-R631 HydrophobicContact CG2-CB 4.14Å; T538-R631 VanDerWaalsContact OG1-CB 3.32Å; T538-R631 WeakPolarHBondContact OG1-CB 3.41Å; A627-R631 WeakPolarHBondContact O-CG 3.28Å; A627-R631 PolarHBondContact O-N 2.93Å; V628-R631 PolarHBondContact O-N 3.49Å; R631-Q634 PolarHBondContact O-N 2.93Å; R631-A635 WeakPolarHBondContact O-CB 3.48Å; R631-A635 PolarHBondContact O-N 2.91Å; R631-M659 PolarHBondContact NH2-O 3.24Å; R631-F660 HydrophobicContact CG-CE1 4.48Å; R631-F660 VanDerWaalsContact CZ-CE1 3.49Å; R631-D663 IonicContact CZ-OD2 3.17Å; R631-D663 IonicContact NH1-OD2 2.72Å; R631-D663 PolarHBondContact NH1-OD2 3.12Å; R631-D663 IonicContact NH2-OD2 3.89Å; R631-D663 PolarHBondContact NH2-OD2 3.41Å
632	H	98.6	Very high	96.9	Very high	18 Å²	18	30.6 Å²	30.6	8%	0.083	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-44.7	172.9	-167.6	61.9	0	0	0	111.9	R529 E535 E591 V628 A629 A630 Q634 A635 I636	R529-H632 PolarHBondContact NH2-NE2 3.43Å; E535-H632 IonicContact OE1-CE1 3.53Å; E591-H632 IonicContact OE1-CD2 2.85Å; E591-H632 IonicContact OE1-CE1 3.25Å; E591-H632 PolarHBondContact OE1-CE1 3.26Å; E591-H632 IonicContact OE1-NE2 3.51Å; E591-H632 PolarHBondContact OE1-NE2 2.96Å; V628-H632 VanDerWaalsContact O-CB 3.32Å; V628-H632 WeakPolarHBondContact O-CB 3.43Å; V628-H632 PolarHBondContact O-N 3.06Å; A629-H632 PolarHBondContact O-N 3.33Å; A630-H632 VanDerWaalsContact C-N 3.33Å; A630-H632 PolarHBondContact O-N 3.36Å; H632-Q634 VanDerWaalsContact C-N 3.33Å; H632-Q634 PolarHBondContact O-N 2.93Å; H632-A635 PolarHBondContact O-N 2.94Å; H632-A635 VanDerWaalsContact O-N 3.16Å; H632-I636 WeakPolarHBondContact O-CG1 3.5Å; H632-I636 PolarHBondContact O-N 2.95Å
633	A	98.5	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-55.5	-46.1	175.2	0	0	0	0	0	112.2	V590 L594 A629 A630 S637 L641 I643 L734	V590-A633 HydrophobicContact CG1-CB 3.59Å; L594-A633 HydrophobicContact CD1-CB 3.8Å; A629-A633 WeakPolarHBondContact O-CB 3.45Å; A629-A633 PolarHBondContact O-N 2.92Å; A630-A633 WeakPolarHBondContact O-CB 3.49Å; A630-A633 PolarHBondContact O-N 2.77Å; A633-S637 WeakPolarHBondContact O-CB 3.49Å; A633-S637 PolarHBondContact O-N 2.78Å; A633-S637 PolarHBondContact O-OG 3.36Å; A633-L641 HydrophobicContact CB-CD2 4.17Å; A633-I643 HydrophobicContact CB-CD1 3.79Å; A633-L734 HydrophobicContact CB-CD2 3.64Å
634	Q	97.9	Very high	96.9	Very high	19 Å²	19	30.5 Å²	30.5	9%	0.089	18%	0.181	C	C	.	.	H	α-helix	trans	-65.3	-42.8	175.9	-67.2	-179.6	-26.9	0	0	112	A630 R631 H632 S637 G638 R639 L641 I643 S665	A630-Q634 WeakPolarHBondContact O-CG 3.38Å; A630-Q634 PolarHBondContact O-N 3.32Å; A630-Q634 VanDerWaalsContact O-N 3.1Å; R631-Q634 PolarHBondContact O-N 2.93Å; H632-Q634 VanDerWaalsContact C-N 3.33Å; H632-Q634 PolarHBondContact O-N 2.93Å; Q634-S637 PolarHBondContact O-N 2.72Å; Q634-G638 PolarHBondContact O-N 3.21Å; Q634-G638 VanDerWaalsContact O-N 3.1Å; Q634-R639 PolarHBondContact O-N 3.47Å; Q634-L641 HydrophobicContact CG-CB 4.09Å; Q634-L641 PolarHBondContact NE2-O 2.92Å; Q634-L641 VanDerWaalsContact NE2-O 3.17Å; Q634-I643 HydrophobicContact CG-CD1 3.89Å; Q634-S665 PolarHBondContact NE2-OG 3.4Å
635	A	97.6	Very high	96.9	Very high	69 Å²	69	30.5 Å²	30.5	57%	0.57	18%	0.181	S	C	*	.	H	α-helix	trans	-62.4	-48.1	179.2	0	0	0	0	0	112.6	R631 H632 S637 G638	R631-A635 WeakPolarHBondContact O-CB 3.48Å; R631-A635 PolarHBondContact O-N 2.91Å; H632-A635 PolarHBondContact O-N 2.94Å; H632-A635 VanDerWaalsContact O-N 3.16Å; A635-S637 VanDerWaalsContact C-N 3.32Å; A635-S637 PolarHBondContact O-N 3.19Å; A635-G638 PolarHBondContact O-N 2.83Å
636	I	97.1	Very high	96.9	Very high	82 Å²	82	30.4 Å²	30.4	42%	0.421	18%	0.18	S	C	.	.	H	α-helix	trans	-73.6	-24.3	178.8	71.9	179.5	0	0	0	112.8	V590 E591 L594 H632 G638	V590-I636 HydrophobicContact CG1-CD1 4.17Å; E591-I636 HydrophobicContact CG-CD1 4.15Å; L594-I636 HydrophobicContact CB-CD1 4.4Å; L594-I636 HydrophobicContact CD1-CD1 4.14Å; L594-I636 HydrophobicContact CD1-CG1 4.14Å; H632-I636 WeakPolarHBondContact O-CG1 3.5Å; H632-I636 PolarHBondContact O-N 2.95Å; I636-G638 VanDerWaalsContact C-N 3.27Å
637	S	93.6	Very high	96.9	Very high	39 Å²	39	30.4 Å²	30.4	27%	0.273	18%	0.18	S	C	.	.	H	α-helix	trans	-75.3	-13.6	170.8	-59.7	0	0	0	0	113.5	A633 Q634 A635 R639	A633-S637 WeakPolarHBondContact O-CB 3.49Å; A633-S637 PolarHBondContact O-N 2.78Å; A633-S637 PolarHBondContact O-OG 3.36Å; Q634-S637 PolarHBondContact O-N 2.72Å; A635-S637 VanDerWaalsContact C-N 3.32Å; A635-S637 PolarHBondContact O-N 3.19Å; S637-R639 PolarHBondContact O-N 3.24Å
638	G	93.2	Very high	96.9	Very high	73 Å²	73	30.4 Å²	30.4	75%	0.753	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	12.9	-176.7	0	0	0	0	0	115.1	Q634 A635 I636	Q634-G638 PolarHBondContact O-N 3.21Å; Q634-G638 VanDerWaalsContact O-N 3.1Å; A635-G638 PolarHBondContact O-N 2.83Å; I636-G638 VanDerWaalsContact C-N 3.27Å
639	R	92	Very high	96.9	Very high	130 Å²	130	30.4 Å²	30.4	49%	0.491	18%	0.18	S	C	.	.	S	Bend	trans	-154.4	165.2	-175.5	66.4	-177.9	171.5	95.4	-2.6	111.8	Q634 S637 L641 E733	Q634-R639 PolarHBondContact O-N 3.47Å; S637-R639 PolarHBondContact O-N 3.24Å; R639-L641 PolarHBondContact O-N 2.88Å; R639-E733 IonicContact CZ-OE1 3.17Å; R639-E733 IonicContact CZ-OE2 2.71Å; R639-E733 VanDerWaalsContact CZ-OE2 3.22Å; R639-E733 VanDerWaalsContact NH1-CD 3.26Å; R639-E733 IonicContact NH1-OE1 2.83Å; R639-E733 PolarHBondContact NH1-OE1 3.25Å; R639-E733 IonicContact NH1-OE2 3.27Å; R639-E733 PolarHBondContact NH1-OE2 3.43Å; R639-E733 IonicContact NH2-OE2 2.73Å; R639-E733 PolarHBondContact NH2-OE2 3.2Å
640	A	88.3	Confident	96.8	Very high	70 Å²	70	30.4 Å²	30.4	58%	0.579	18%	0.18	S	C	*	.			trans	-67.8	81.7	167.4	0	0	0	0	0	110.5
641	L	93.8	Very high	96.8	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	18%	0.182	C	C	.	.			trans	-61.3	132.7	169.8	-169.6	73.2	0	0	0	108.7	L594 A633 Q634 R639 I643 E733 L734	L594-L641 HydrophobicContact CD1-CD2 4.17Å; L594-L641 HydrophobicContact CD2-CD2 4.3Å; A633-L641 HydrophobicContact CB-CD2 4.17Å; Q634-L641 HydrophobicContact CG-CB 4.09Å; Q634-L641 PolarHBondContact NE2-O 2.92Å; Q634-L641 VanDerWaalsContact NE2-O 3.17Å; R639-L641 PolarHBondContact O-N 2.88Å; L641-I643 HydrophobicContact CB-CG1 4.35Å; L641-I643 HydrophobicContact CD2-CD1 4.28Å; L641-I643 HydrophobicContact CD2-CG1 4.09Å; L641-I643 HydrophobicContact CG-CG1 4.25Å; L641-I643 PolarHBondContact O-N 3.18Å; L641-E733 HydrophobicContact CD1-CB 3.58Å; L641-E733 HydrophobicContact CD1-CG 4.29Å; L641-E733 HydrophobicContact CG-CB 4.04Å; L641-L734 HydrophobicContact CD2-CB 4.02Å; L641-L734 HydrophobicContact CD2-CD2 4.29Å
642	R	97.1	Very high	96.7	Very high	80 Å²	80	28.3 Å²	28.3	30%	0.302	17%	0.173	S	C	.	.			trans	-72.2	115	171.5	-75.3	-172.5	-47.6	-54.2	-7.6	109.6	S665 F730 N731 E733 L734	R642-S665 WeakPolarHBondContact CA-O 3.49Å; R642-F730 HydrophobicContact CB-CE1 4.01Å; R642-F730 HydrophobicContact CB-CE2 4.29Å; R642-F730 HydrophobicContact CB-CZ 3.72Å; R642-F730 WeakPolarHBondContact CD-O 3.44Å; R642-F730 HydrophobicContact CG-CE2 4.09Å; R642-F730 HydrophobicContact CG-CZ 4.01Å; R642-F730 PolarHBondContact NE-O 2.83Å; R642-N731 PolarHBondContact NE-O 2.84Å; R642-N731 VanDerWaalsContact NE-O 3.12Å; R642-N731 PolarHBondContact NH2-O 3.34Å; R642-E733 HydrophobicContact CB-CG 4.42Å; R642-E733 IonicContact CZ-OE1 3.48Å; R642-E733 IonicContact NH1-OE1 3.48Å; R642-E733 PolarHBondContact NH1-OE1 3.28Å; R642-E733 IonicContact NH2-OE1 3.1Å; R642-E733 PolarHBondContact O-N 3.2Å; R642-L734 PolarHBondContact O-N 3.47Å
643	I	98.8	Very high	96.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.8	-178.7	-58.1	176.7	0	0	0	109.1	A630 A633 Q634 L641 I645 S665 V666 L667 F730 L734 L736	A630-I643 HydrophobicContact CB-CD1 3.86Å; A630-I643 HydrophobicContact CB-CG2 4.32Å; A630-I643 VanDerWaalsContact O-CD1 3.31Å; A630-I643 WeakPolarHBondContact O-CD1 3.34Å; A633-I643 HydrophobicContact CB-CD1 3.79Å; Q634-I643 HydrophobicContact CG-CD1 3.89Å; L641-I643 HydrophobicContact CB-CG1 4.35Å; L641-I643 HydrophobicContact CD2-CD1 4.28Å; L641-I643 HydrophobicContact CD2-CG1 4.09Å; L641-I643 HydrophobicContact CG-CG1 4.25Å; L641-I643 PolarHBondContact O-N 3.18Å; I643-I645 HydrophobicContact CG2-CG1 4.18Å; I643-S665 PolarHBondContact N-O 3Å; I643-V666 HydrophobicContact CB-CG2 4.41Å; I643-V666 WeakPolarHBondContact O-CA 3.22Å; I643-L667 PolarHBondContact O-N 2.77Å; I643-F730 WeakPolarHBondContact O-CE1 3.47Å; I643-L734 WeakPolarHBondContact CA-O 3.26Å; I643-L734 HydrophobicContact CD1-CD2 4.38Å; I643-L734 HydrophobicContact CG1-CB 4.39Å; I643-L736 HydrophobicContact CG2-CD1 4.16Å; I643-L736 HydrophobicContact CG2-CG 4.04Å
644	L	98.9	Very high	96.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.2	166.9	167.9	63.5	0	0	0	108.1	V646 L667 V669 A727 F730 P732 L734 V735 L736 L766 L769	L644-V646 HydrophobicContact CD1-CG2 3.96Å; L644-V646 HydrophobicContact CD2-CG2 3.86Å; L644-V646 HydrophobicContact CG-CG2 3.77Å; L644-L667 HydrophobicContact CD1-CB 4.33Å; L644-L667 HydrophobicContact CD1-CD2 3.77Å; L644-L667 HydrophobicContact CD1-CG 3.8Å; L644-V669 HydrophobicContact CD1-CG2 3.93Å; L644-A727 HydrophobicContact CD2-CB 3.76Å; L644-F730 HydrophobicContact CB-CE1 4.43Å; L644-P732 HydrophobicContact CB-CB 3.67Å; L644-P732 HydrophobicContact CB-CG 3.87Å; L644-P732 HydrophobicContact CD2-CG 4.21Å; L644-L734 PolarHBondContact N-O 2.67Å; L644-V735 HydrophobicContact CB-CG2 4.37Å; L644-V735 HydrophobicContact CD2-CG1 4.17Å; L644-V735 HydrophobicContact CD2-CG2 4.24Å; L644-V735 HydrophobicContact CG-CG1 4.26Å; L644-V735 CarbonylContact O-C 3.59Å; L644-V735 WeakPolarHBondContact O-CA 3.48Å; L644-L736 PolarHBondContact O-N 2.88Å; L644-L766 HydrophobicContact CD2-CD2 4.45Å; L644-L769 HydrophobicContact CD2-CD1 4.06Å
645	I	98.9	Very high	96.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.6	168	-56.6	176.5	0	0	0	107.7	V626 A630 I643 T656 F660 V666 L667 Y668 V669 L736	V626-I645 HydrophobicContact CG1-CD1 4.26Å; V626-I645 HydrophobicContact CG1-CG1 4.4Å; V626-I645 HydrophobicContact CG1-CG2 3.75Å; A630-I645 HydrophobicContact CB-CD1 4.29Å; I643-I645 HydrophobicContact CG2-CG1 4.18Å; I645-T656 HydrophobicContact CD1-CG2 4.11Å; I645-T656 HydrophobicContact CG2-CG2 4.13Å; I645-F660 HydrophobicContact CD1-CD2 3.9Å; I645-F660 HydrophobicContact CD1-CE2 3.5Å; I645-F660 VanDerWaalsContact CD1-CE2 3.5Å; I645-F660 HydrophobicContact CD1-CZ 4.15Å; I645-V666 HydrophobicContact CD1-CG1 3.56Å; I645-V666 HydrophobicContact CG1-CG1 3.91Å; I645-L667 PolarHBondContact N-O 2.89Å; I645-Y668 HydrophobicContact CB-CD2 4.08Å; I645-Y668 HydrophobicContact CG2-CD2 3.83Å; I645-Y668 HydrophobicContact CG2-CE2 4.19Å; I645-V669 PolarHBondContact O-N 2.83Å; I645-L736 WeakPolarHBondContact CA-O 3.49Å; I645-L736 HydrophobicContact CG1-CB 4.38Å
646	V	98.9	Very high	96.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.4	171.6	-174.1	0	0	0	0	109.2	L644 V669 L671 W719 V735 L736 V737 S738 L766	L644-V646 HydrophobicContact CD1-CG2 3.96Å; L644-V646 HydrophobicContact CD2-CG2 3.86Å; L644-V646 HydrophobicContact CG-CG2 3.77Å; V646-V669 CarbonylContact C-O 3.4Å; V646-V669 WeakPolarHBondContact CA-O 3.49Å; V646-L671 HydrophobicContact CG1-CD1 4.39Å; V646-W719 HydrophobicContact CG1-CH2 3.72Å; V646-W719 HydrophobicContact CG1-CZ2 3.9Å; V646-V735 HydrophobicContact CG2-CG1 4.5Å; V646-L736 PolarHBondContact N-O 3.35Å; V646-V737 CarbonylContact O-C 3.54Å; V646-V737 VanDerWaalsContact O-CA 3.3Å; V646-V737 WeakPolarHBondContact O-CA 3.35Å; V646-S738 PolarHBondContact O-N 3.42Å; V646-L766 HydrophobicContact CB-CD1 4.5Å; V646-L766 HydrophobicContact CG2-CD1 4.16Å; V646-L766 HydrophobicContact CG2-CD2 4.11Å
647	D	98.9	Very high	96.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	101.7	179.2	-159.4	-14.8	0	0	0	110	H610 D649 Y668 V669 S670 L671 S738	H610-D647 IonicContact CG-OD2 3.84Å; H610-D647 IonicContact ND1-OD1 3.79Å; H610-D647 PolarHBondContact ND1-OD1 3.2Å; H610-D647 IonicContact ND1-OD2 3Å; H610-D647 PolarHBondContact ND1-OD2 3.09Å; H610-D647 VanDerWaalsContact ND1-OD2 3.1Å; D647-D649 WeakPolarHBondContact OD1-CB 3.48Å; D647-D649 PolarHBondContact OD1-N 3.07Å; D647-Y668 HydrophobicContact CB-CE2 3.65Å; D647-Y668 WeakPolarHBondContact CB-OH 3.37Å; D647-Y668 PolarHBondContact OD2-OH 2.92Å; D647-V669 PolarHBondContact N-O 3.18Å; D647-S670 CarbonylContact O-C 3.54Å; D647-S670 WeakPolarHBondContact O-CA 3.34Å; D647-L671 PolarHBondContact O-N 3.41Å; D647-S738 WeakPolarHBondContact OD1-CB 3.48Å
648	W	98.6	Very high	97.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.117	C	C	.	.			trans	-101.8	7.3	179.2	69.8	38.4	0	0	0	112.8	Y715 W719 V737 S738 A739 G740 F741 Y759 L762 T763 L776	W648-Y715 HydrophobicContact CB-CE1 4.47Å; W648-W719 HydrophobicContact CB-CH2 4.37Å; W648-W719 HydrophobicContact CE3-CH2 4.04Å; W648-W719 HydrophobicContact CE3-CZ2 4.08Å; W648-V737 HydrophobicContact CD2-CG1 3.78Å; W648-V737 HydrophobicContact CE3-CG1 3.8Å; W648-V737 HydrophobicContact CG-CG1 4.5Å; W648-V737 HydrophobicContact CH2-CG1 3.9Å; W648-V737 HydrophobicContact CZ2-CG1 3.89Å; W648-V737 HydrophobicContact CZ3-CG1 3.86Å; W648-S738 PolarHBondContact N-O 3.21Å; W648-A739 HydrophobicContact CZ2-CB 4.23Å; W648-G740 PolarHBondContact NE1-O 2.95Å; W648-F741 HydrophobicContact CZ2-CE1 4.08Å; W648-F741 HydrophobicContact CZ2-CZ 4.28Å; W648-F741 AromaticContact NE1-CE1 3.99Å; W648-Y759 AromaticContact CD1-CE1 3.7Å; W648-Y759 HydrophobicContact CD2-CD1 4.01Å; W648-Y759 HydrophobicContact CD2-CE1 4.22Å; W648-Y759 AromaticContact CE2-CD1 3.62Å; W648-Y759 AromaticContact CE2-CE1 3.95Å; W648-Y759 HydrophobicContact CG-CD1 4.36Å; W648-Y759 HydrophobicContact CG-CE1 4.08Å; W648-Y759 HydrophobicContact CH2-CD1 4.49Å; W648-Y759 AromaticContact CZ2-CD1 3.9Å; W648-Y759 HydrophobicContact CZ2-CD1 3.9Å; W648-Y759 AromaticContact NE1-CD1 3.71Å; W648-Y759 AromaticContact NE1-CE1 3.57Å; W648-L762 HydrophobicContact CE3-CB 4.12Å; W648-L762 HydrophobicContact CE3-CD1 4.13Å; W648-L762 HydrophobicContact CZ3-CB 3.82Å; W648-T763 WeakPolarHBondContact CH2-OG1 3.48Å; W648-L776 HydrophobicContact CH2-CD2 4.2Å; W648-L776 HydrophobicContact CZ2-CD2 4.28Å
649	D	98.4	Very high	97.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-58.4	147.3	168	-164.4	-75.9	0	0	0	109.7	H610 D647 H651 G740 G780	H610-D649 VanDerWaalsContact CE1-CB 3.49Å; H610-D649 WeakPolarHBondContact CE1-CB 3.44Å; H610-D649 IonicContact CE1-OD1 3.55Å; H610-D649 IonicContact CE1-OD2 2.66Å; H610-D649 IonicContact NE2-OD1 2.79Å; H610-D649 IonicContact NE2-OD2 3.19Å; D647-D649 WeakPolarHBondContact OD1-CB 3.48Å; D647-D649 PolarHBondContact OD1-N 3.07Å; D649-H651 PolarHBondContact O-N 2.86Å; D649-H651 WeakPolarHBondContact OD1-CB 3.36Å; D649-H651 IonicContact OD1-CE1 2.86Å; D649-H651 IonicContact OD1-CG 2.81Å; D649-H651 PolarHBondContact OD1-N 2.9Å; D649-H651 IonicContact OD1-ND1 3.44Å; D649-H651 PolarHBondContact OD1-ND1 2.89Å; D649-G740 VanDerWaalsContact OD2-CA 3.24Å; D649-G740 WeakPolarHBondContact OD2-CA 3.35Å; D649-G780 WeakPolarHBondContact OD2-CA 3.47Å; D649-G780 PolarHBondContact OD2-N 3.18Å
650	V	96.9	Very high	97.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-71.9	-10.4	-178.9	79.6	0	0	0	0	112.6	R673 F679 D742 A743 G750 C752	V650-R673 HydrophobicContact CG2-CB 3.88Å; V650-R673 PolarHBondContact O-N 2.89Å; V650-F679 HydrophobicContact CG1-CE1 4.2Å; V650-F679 HydrophobicContact CG1-CZ 4.47Å; V650-D742 WeakPolarHBondContact CB-OD1 3.36Å; V650-D742 HydrophobicContact CG1-CB 3.82Å; V650-D742 VanDerWaalsContact CG1-OD1 3.26Å; V650-D742 WeakPolarHBondContact CG1-OD1 3.46Å; V650-D742 PolarHBondContact N-OD1 3.43Å; V650-A743 HydrophobicContact CB-CB 4.04Å; V650-A743 HydrophobicContact CG2-CB 4.3Å; V650-G750 VanDerWaalsContact CG1-CA 3.44Å; V650-C752 HydrophobicContact CG2-CB 4.47Å
651	H	97.9	Very high	98	Very high	6 Å²	6	9.4 Å²	9.4	3%	0.028	4%	0.041	C	C	.	.	S	Bend	trans	-105.6	147.3	175.1	-46.2	89.5	0	0	0	111.2	H611 D649 G653 F679 D742	H611-H651 VanDerWaalsContact CE1-CB 3.49Å; H611-H651 WeakPolarHBondContact CE1-CB 3.33Å; H611-H651 WeakPolarHBondContact NE2-CB 3.36Å; H611-H651 AromaticContact NE2-CG 3.98Å; D649-H651 PolarHBondContact O-N 2.86Å; D649-H651 WeakPolarHBondContact OD1-CB 3.36Å; D649-H651 IonicContact OD1-CE1 2.86Å; D649-H651 IonicContact OD1-CG 2.81Å; D649-H651 PolarHBondContact OD1-N 2.9Å; D649-H651 IonicContact OD1-ND1 3.44Å; D649-H651 PolarHBondContact OD1-ND1 2.89Å; H651-G653 PolarHBondContact O-N 3.43Å; H651-F679 AromaticContact CD2-CE1 3.4Å; H651-F679 WeakPolarHBondContact CD2-CE1 3.33Å; H651-F679 AromaticContact NE2-CE1 3.65Å; H651-F679 AromaticContact NE2-CZ 3.98Å; H651-D742 IonicContact CE1-OD2 3.29Å; H651-D742 PolarHBondContact CE1-OD2 3.07Å; H651-D742 IonicContact ND1-OD2 2.72Å; H651-D742 PolarHBondContact ND1-OD2 3.39Å
652	H	97.9	Very high	98.2	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.019	6%	0.061	C	C	.	.			trans	-69	122.6	174.6	172.7	-121.7	0	0	0	110.4	H611 N654 Q657 H672 P681 E685 N702	H611-H652 PolarHBondContact CE1-O 2.7Å; H611-H652 PolarHBondContact ND1-O 3.37Å; H652-N654 PolarHBondContact O-N 2.92Å; H652-N654 PolarHBondContact O-OD1 3.39Å; H652-Q657 PolarHBondContact CE1-OE1 2.88Å; H652-Q657 PolarHBondContact NE2-OE1 2.79Å; H652-H672 HydrophobicContact CB-CB 4.28Å; H652-H672 AromaticContact CD2-CE1 3.54Å; H652-H672 AromaticContact CD2-ND1 3.69Å; H652-H672 AromaticContact CG-CE1 3.92Å; H652-P681 HydrophobicContact CB-CG 4.45Å; H652-E685 VanDerWaalsContact CE1-C 3.46Å; H652-E685 PolarHBondContact CE1-O 2.93Å; H652-E685 VanDerWaalsContact CE1-O 3.22Å; H652-N702 PolarHBondContact CD2-OD1 2.92Å; H652-N702 PolarHBondContact NE2-OD1 3.38Å
653	G	98.2	Very high	98.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.			trans	-75.1	65.2	175.3	0	0	0	0	0	112.4	H610 H651 G655 T656 Q657 Y668	H610-G653 WeakPolarHBondContact ND1-CA 3.48Å; H610-G653 CarbonylContact O-C 3.57Å; H610-G653 WeakPolarHBondContact O-CA 3.5Å; H651-G653 PolarHBondContact O-N 3.43Å; G653-G655 VanDerWaalsContact C-N 3.25Å; G653-G655 PolarHBondContact O-N 3.22Å; G653-T656 WeakPolarHBondContact O-CA 3.24Å; G653-T656 WeakPolarHBondContact O-CB 2.98Å; G653-T656 PolarHBondContact O-N 2.7Å; G653-Q657 PolarHBondContact O-N 3.25Å; G653-Y668 VanDerWaalsContact CA-OH 3.26Å; G653-Y668 WeakPolarHBondContact CA-OH 3.36Å; G653-Y668 PolarHBondContact N-OH 2.77Å; G653-Y668 PolarHBondContact O-OH 2.76Å
654	N	98.3	Very high	98.1	Very high	7 Å²	7	13.3 Å²	13.3	4%	0.037	7%	0.071	C	C	.	.	H	α-helix	trans	-46.3	-46.1	-179.7	57.5	-81.4	0	0	0	113	H611 E613 H652 T656 Q657 H658 P681	H611-N654 PolarHBondContact ND1-OD1 2.91Å; H611-N654 PolarHBondContact O-ND2 3.33Å; E613-N654 PolarHBondContact OE1-ND2 3.41Å; H652-N654 PolarHBondContact O-N 2.92Å; H652-N654 PolarHBondContact O-OD1 3.39Å; N654-T656 VanDerWaalsContact C-N 3.32Å; N654-T656 PolarHBondContact O-N 3.09Å; N654-Q657 PolarHBondContact O-N 3.01Å; N654-H658 VanDerWaalsContact O-CG 3.3Å; N654-H658 PolarHBondContact O-N 2.87Å; N654-H658 PolarHBondContact O-ND1 3.27Å; N654-P681 HydrophobicContact CB-CG 4.22Å
655	G	98.3	Very high	98	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.9	-35.9	179.3	0	0	0	0	0	112.2	H610 A612 G653 M659	H610-G655 PolarHBondContact O-N 2.92Å; A612-G655 WeakPolarHBondContact O-CA 3.48Å; G653-G655 VanDerWaalsContact C-N 3.25Å; G653-G655 PolarHBondContact O-N 3.22Å; G655-M659 WeakPolarHBondContact O-CG 3.38Å; G655-M659 PolarHBondContact O-N 3.04Å
656	T	98.7	Very high	98	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-68.4	-44.2	174.7	-50.3	0	0	0	0	111.1	H610 N624 I645 G653 N654 M659 F660 Y668	H610-T656 WeakPolarHBondContact CA-OG1 3.31Å; H610-T656 PolarHBondContact O-N 2.91Å; H610-T656 VanDerWaalsContact O-N 3.11Å; H610-T656 PolarHBondContact O-OG1 2.94Å; N624-T656 VanDerWaalsContact ND2-CA 3.31Å; N624-T656 WeakPolarHBondContact ND2-CA 3.27Å; N624-T656 PolarHBondContact ND2-N 2.86Å; N624-T656 VanDerWaalsContact ND2-N 3.12Å; N624-T656 PolarHBondContact ND2-OG1 3.3Å; I645-T656 HydrophobicContact CD1-CG2 4.11Å; I645-T656 HydrophobicContact CG2-CG2 4.13Å; G653-T656 WeakPolarHBondContact O-CA 3.24Å; G653-T656 WeakPolarHBondContact O-CB 2.98Å; G653-T656 PolarHBondContact O-N 2.7Å; N654-T656 VanDerWaalsContact C-N 3.32Å; N654-T656 PolarHBondContact O-N 3.09Å; T656-M659 PolarHBondContact O-N 3.34Å; T656-F660 HydrophobicContact CG2-CD2 4.27Å; T656-F660 HydrophobicContact CG2-CE2 4.28Å; T656-F660 VanDerWaalsContact O-CD2 3.24Å; T656-F660 WeakPolarHBondContact O-CD2 3.35Å; T656-Y668 HydrophobicContact CG2-CD2 3.54Å; T656-Y668 HydrophobicContact CG2-CE2 3.48Å; T656-Y668 VanDerWaalsContact CG2-CE2 3.48Å; T656-Y668 HydrophobicContact CG2-CG 4.46Å
657	Q	98.5	Very high	98	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-56.9	-55.1	175.2	173.6	171.5	-49.3	0	0	111.1	H652 G653 N654 M659 F660 E661 Y668 E685 T700 N702	H652-Q657 PolarHBondContact CE1-OE1 2.88Å; H652-Q657 PolarHBondContact NE2-OE1 2.79Å; G653-Q657 PolarHBondContact O-N 3.25Å; N654-Q657 PolarHBondContact O-N 3.01Å; Q657-M659 PolarHBondContact O-N 3.05Å; Q657-F660 CarbonylContact O-C 3.54Å; Q657-F660 PolarHBondContact O-N 3.22Å; Q657-E661 HydrophobicContact CG-CG 3.65Å; Q657-E661 WeakPolarHBondContact CG-OE1 3.45Å; Q657-E661 PolarHBondContact NE2-OE1 3.49Å; Q657-E661 WeakPolarHBondContact O-CG 3.47Å; Q657-E661 PolarHBondContact O-N 3.37Å; Q657-Y668 HydrophobicContact CB-CD1 4.04Å; Q657-Y668 HydrophobicContact CB-CE1 3.94Å; Q657-E685 PolarHBondContact NE2-O 3.15Å; Q657-E685 PolarHBondContact OE1-O 2.82Å; Q657-T700 HydrophobicContact CG-CG2 3.74Å; Q657-N702 PolarHBondContact OE1-ND2 2.71Å
658	H	98.3	Very high	98	Very high	48 Å²	48	14 Å²	14	22%	0.222	8%	0.075	C	C	.	.	H	α-helix	trans	-60.3	-24.2	-175.1	-65.3	147.1	0	0	0	114.6	E613 N654 E661 E685 R693	E613-H658 IonicContact OE1-CE1 2.67Å; E613-H658 PolarHBondContact OE1-CE1 2.82Å; E613-H658 IonicContact OE1-ND1 2.74Å; E613-H658 PolarHBondContact OE1-ND1 3.09Å; E613-H658 IonicContact OE2-CG 3.63Å; E613-H658 IonicContact OE2-ND1 3.64Å; E613-H658 PolarHBondContact OE2-ND1 3.36Å; E613-H658 VanDerWaalsContact OE2-ND1 3.17Å; N654-H658 VanDerWaalsContact O-CG 3.3Å; N654-H658 PolarHBondContact O-N 2.87Å; N654-H658 PolarHBondContact O-ND1 3.27Å; H658-E661 IonicContact CD2-OE1 3.7Å; H658-E685 IonicContact CE1-OE2 3.8Å; H658-E685 IonicContact NE2-OE2 3.72Å; H658-R693 PolarHBondContact O-NH2 3.37Å
659	M	98	Very high	98	Very high	22 Å²	22	14 Å²	14	11%	0.108	8%	0.076	C	C	.	.	H	α-helix	trans	-77.6	-16.6	177.2	-65.2	-81.6	-177.2	0	0	114.5	C539 Q614 A627 R631 G655 T656 Q657	C539-M659 HydrophobicContact CB-CE 3.8Å; C539-M659 HydrophobicContact CB-SD 3.49Å; C539-M659 WeakPolarHBondContact CB-SD 3.16Å; C539-M659 WeakPolarHBondContact O-CE 3.46Å; C539-M659 VanDerWaalsContact O-SD 3.39Å; Q614-M659 HydrophobicContact CB-CE 4.23Å; A627-M659 HydrophobicContact CB-CB 4.26Å; A627-M659 HydrophobicContact CB-CG 4.26Å; R631-M659 PolarHBondContact NH2-O 3.24Å; G655-M659 WeakPolarHBondContact O-CG 3.38Å; G655-M659 PolarHBondContact O-N 3.04Å; T656-M659 PolarHBondContact O-N 3.34Å; Q657-M659 PolarHBondContact O-N 3.05Å
660	F	98.4	Very high	98.1	Very high	1 Å²	1	14 Å²	14	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-132.2	-1.9	-174.9	-58.6	-65.6	0	0	0	114.4	A627 A630 R631 I645 T656 Q657 D662 D663 V666	A627-F660 HydrophobicContact CB-CE2 3.52Å; A627-F660 HydrophobicContact CB-CZ 3.73Å; A630-F660 HydrophobicContact CB-CE1 4.5Å; A630-F660 HydrophobicContact CB-CZ 3.92Å; R631-F660 HydrophobicContact CG-CE1 4.48Å; R631-F660 VanDerWaalsContact CZ-CE1 3.49Å; I645-F660 HydrophobicContact CD1-CD2 3.9Å; I645-F660 HydrophobicContact CD1-CE2 3.5Å; I645-F660 VanDerWaalsContact CD1-CE2 3.5Å; I645-F660 HydrophobicContact CD1-CZ 4.15Å; T656-F660 HydrophobicContact CG2-CD2 4.27Å; T656-F660 HydrophobicContact CG2-CE2 4.28Å; T656-F660 VanDerWaalsContact O-CD2 3.24Å; T656-F660 WeakPolarHBondContact O-CD2 3.35Å; Q657-F660 CarbonylContact O-C 3.54Å; Q657-F660 PolarHBondContact O-N 3.22Å; F660-D662 PolarHBondContact O-N 3.43Å; F660-D663 PolarHBondContact O-N 2.78Å; F660-V666 HydrophobicContact CB-CB 4.15Å; F660-V666 HydrophobicContact CB-CG1 4.19Å; F660-V666 HydrophobicContact CD1-CB 3.54Å; F660-V666 HydrophobicContact CD1-CG1 3.73Å; F660-V666 HydrophobicContact CD1-CG2 3.57Å; F660-V666 HydrophobicContact CD2-CG1 3.9Å; F660-V666 HydrophobicContact CE1-CB 4.08Å; F660-V666 HydrophobicContact CE1-CG1 4.05Å; F660-V666 HydrophobicContact CE1-CG2 3.67Å; F660-V666 HydrophobicContact CE2-CG1 4.22Å; F660-V666 HydrophobicContact CG-CB 3.84Å; F660-V666 HydrophobicContact CG-CG1 3.66Å; F660-V666 HydrophobicContact CG-CG2 4.35Å; F660-V666 HydrophobicContact CZ-CG1 4.3Å
661	E	96.6	Very high	98.1	Very high	25 Å²	25	14 Å²	14	12%	0.117	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-32.3	-179	-93.1	-171.3	-175.4	0	0	114.5	Q657 H658 G692 R693 G696	Q657-E661 HydrophobicContact CG-CG 3.65Å; Q657-E661 WeakPolarHBondContact CG-OE1 3.45Å; Q657-E661 PolarHBondContact NE2-OE1 3.49Å; Q657-E661 WeakPolarHBondContact O-CG 3.47Å; Q657-E661 PolarHBondContact O-N 3.37Å; H658-E661 IonicContact CD2-OE1 3.7Å; E661-G692 CarbonylContact O-C 3.55Å; E661-G692 WeakPolarHBondContact O-CA 3.3Å; E661-R693 HydrophobicContact CB-CG 4.09Å; E661-R693 PolarHBondContact O-N 2.91Å; E661-R693 VanDerWaalsContact O-O 3.11Å; E661-R693 WeakPolarHBondContact OE2-CD 3.31Å; E661-R693 IonicContact OE2-CZ 3.79Å; E661-R693 IonicContact OE2-NE 3.49Å; E661-R693 IonicContact OE2-NH1 3.82Å; E661-R693 PolarHBondContact OE2-NH1 2.77Å; E661-G696 CarbonylContact O-C 3.55Å; E661-G696 WeakPolarHBondContact O-CA 3.29Å
662	D	97.6	Very high	98.2	Very high	82 Å²	82	13.8 Å²	13.8	44%	0.439	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	7.3	178.3	51.9	-44.2	0	0	0	115.8	F660 R693 A694 G696	F660-D662 PolarHBondContact O-N 3.43Å; D662-R693 WeakPolarHBondContact CA-O 3.45Å; D662-R693 HydrophobicContact CB-CG 3.85Å; D662-R693 IonicContact OD1-CZ 2.63Å; D662-R693 IonicContact OD1-NE 4Å; D662-R693 PolarHBondContact OD1-NE 2.8Å; D662-R693 IonicContact OD1-NH2 2.84Å; D662-R693 PolarHBondContact OD1-NH2 3.19Å; D662-A694 HydrophobicContact CB-CB 4.27Å; D662-G696 PolarHBondContact O-N 2.89Å
663	D	97.4	Very high	98.1	Very high	29 Å²	29	15.4 Å²	15.4	16%	0.155	8%	0.081	C	C	.	.			trans	-116.7	101.9	-170.3	-168.9	-16.6	0	0	0	114.1	R631 F660 S665 V666	R631-D663 IonicContact CZ-OD2 3.17Å; R631-D663 IonicContact NH1-OD2 2.72Å; R631-D663 PolarHBondContact NH1-OD2 3.12Å; R631-D663 IonicContact NH2-OD2 3.89Å; R631-D663 PolarHBondContact NH2-OD2 3.41Å; F660-D663 PolarHBondContact O-N 2.78Å; D663-S665 VanDerWaalsContact CG-OG 3.29Å; D663-S665 PolarHBondContact O-N 3.39Å; D663-S665 VanDerWaalsContact O-N 3.13Å; D663-S665 VanDerWaalsContact OD1-CB 3.31Å; D663-S665 WeakPolarHBondContact OD1-CB 3.31Å; D663-S665 PolarHBondContact OD1-N 3.18Å; D663-S665 PolarHBondContact OD1-OG 2.89Å; D663-S665 PolarHBondContact OD2-OG 2.81Å; D663-V666 PolarHBondContact O-N 2.81Å
664	P	96.7	Very high	98.1	Very high	54 Å²	54	16.8 Å²	16.8	35%	0.351	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-2.5	179.4	31.2	-36	0	0	0	114.4	V666 A695 F699	P664-V666 VanDerWaalsContact C-N 3.32Å; P664-A695 WeakPolarHBondContact CB-O 3.37Å; P664-A695 HydrophobicContact CG-CB 4.01Å; P664-F699 HydrophobicContact CB-CD1 4.38Å; P664-F699 HydrophobicContact CB-CD2 3.91Å; P664-F699 HydrophobicContact CB-CE1 4.13Å; P664-F699 HydrophobicContact CB-CE2 3.64Å; P664-F699 HydrophobicContact CB-CG 4.29Å; P664-F699 HydrophobicContact CB-CZ 3.75Å; P664-F699 VanDerWaalsContact O-CE1 3.31Å; P664-F699 WeakPolarHBondContact O-CE1 3.36Å
665	S	97.6	Very high	98	Very high	14 Å²	14	18 Å²	18	10%	0.098	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-11.7	172	71.5	0	0	0	0	113.2	Q634 R642 I643 D663	Q634-S665 PolarHBondContact NE2-OG 3.4Å; R642-S665 WeakPolarHBondContact CA-O 3.49Å; I643-S665 PolarHBondContact N-O 3Å; D663-S665 VanDerWaalsContact CG-OG 3.29Å; D663-S665 PolarHBondContact O-N 3.39Å; D663-S665 VanDerWaalsContact O-N 3.13Å; D663-S665 VanDerWaalsContact OD1-CB 3.31Å; D663-S665 WeakPolarHBondContact OD1-CB 3.31Å; D663-S665 PolarHBondContact OD1-N 3.18Å; D663-S665 PolarHBondContact OD1-OG 2.89Å; D663-S665 PolarHBondContact OD2-OG 2.81Å
666	V	98.7	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	115.6	177.9	-175	0	0	0	0	110.2	I643 I645 F660 D663 P664	I643-V666 HydrophobicContact CB-CG2 4.41Å; I643-V666 WeakPolarHBondContact O-CA 3.22Å; I645-V666 HydrophobicContact CD1-CG1 3.56Å; I645-V666 HydrophobicContact CG1-CG1 3.91Å; F660-V666 HydrophobicContact CB-CB 4.15Å; F660-V666 HydrophobicContact CB-CG1 4.19Å; F660-V666 HydrophobicContact CD1-CB 3.54Å; F660-V666 HydrophobicContact CD1-CG1 3.73Å; F660-V666 HydrophobicContact CD1-CG2 3.57Å; F660-V666 HydrophobicContact CD2-CG1 3.9Å; F660-V666 HydrophobicContact CE1-CB 4.08Å; F660-V666 HydrophobicContact CE1-CG1 4.05Å; F660-V666 HydrophobicContact CE1-CG2 3.67Å; F660-V666 HydrophobicContact CE2-CG1 4.22Å; F660-V666 HydrophobicContact CG-CB 3.84Å; F660-V666 HydrophobicContact CG-CG1 3.66Å; F660-V666 HydrophobicContact CG-CG2 4.35Å; F660-V666 HydrophobicContact CZ-CG1 4.3Å; D663-V666 PolarHBondContact O-N 2.81Å; P664-V666 VanDerWaalsContact C-N 3.32Å
667	L	98.8	Very high	97.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	115.7	173.7	169.6	61	0	0	0	108.9	I643 L644 I645 V669 F699 V701 I726 F730 W831	I643-L667 PolarHBondContact O-N 2.77Å; L644-L667 HydrophobicContact CD1-CB 4.33Å; L644-L667 HydrophobicContact CD1-CD2 3.77Å; L644-L667 HydrophobicContact CD1-CG 3.8Å; I645-L667 PolarHBondContact N-O 2.89Å; L667-V669 HydrophobicContact CD1-CG2 4Å; L667-V669 HydrophobicContact CD2-CG2 4.38Å; L667-V669 HydrophobicContact CG-CG2 3.95Å; L667-F699 WeakPolarHBondContact CA-O 3.37Å; L667-F699 HydrophobicContact CB-CD1 4.49Å; L667-V701 HydrophobicContact CD1-CG2 4.04Å; L667-I726 HydrophobicContact CD1-CG2 4.18Å; L667-I726 HydrophobicContact CD2-CG2 3.65Å; L667-F730 HydrophobicContact CB-CD1 3.84Å; L667-F730 HydrophobicContact CB-CD2 4.3Å; L667-F730 HydrophobicContact CB-CE1 3.62Å; L667-F730 HydrophobicContact CB-CE2 4.1Å; L667-F730 HydrophobicContact CB-CG 4.17Å; L667-F730 HydrophobicContact CB-CZ 3.75Å; L667-F730 HydrophobicContact CD2-CB 3.8Å; L667-F730 HydrophobicContact CD2-CD1 3.68Å; L667-F730 HydrophobicContact CD2-CD2 4.43Å; L667-F730 HydrophobicContact CD2-CE1 4.34Å; L667-F730 HydrophobicContact CD2-CG 3.73Å; L667-F730 HydrophobicContact CG-CD1 4.43Å; L667-W831 HydrophobicContact CD1-CZ2 4.07Å
668	Y	98.9	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.6	173.2	-179.8	-110.9	0	0	0	110.5	I645 D647 G653 T656 Q657 S670 F699 T700 V701	I645-Y668 HydrophobicContact CB-CD2 4.08Å; I645-Y668 HydrophobicContact CG2-CD2 3.83Å; I645-Y668 HydrophobicContact CG2-CE2 4.19Å; D647-Y668 HydrophobicContact CB-CE2 3.65Å; D647-Y668 WeakPolarHBondContact CB-OH 3.37Å; D647-Y668 PolarHBondContact OD2-OH 2.92Å; G653-Y668 VanDerWaalsContact CA-OH 3.26Å; G653-Y668 WeakPolarHBondContact CA-OH 3.36Å; G653-Y668 PolarHBondContact N-OH 2.77Å; G653-Y668 PolarHBondContact O-OH 2.76Å; T656-Y668 HydrophobicContact CG2-CD2 3.54Å; T656-Y668 HydrophobicContact CG2-CE2 3.48Å; T656-Y668 VanDerWaalsContact CG2-CE2 3.48Å; T656-Y668 HydrophobicContact CG2-CG 4.46Å; Q657-Y668 HydrophobicContact CB-CD1 4.04Å; Q657-Y668 HydrophobicContact CB-CE1 3.94Å; Y668-S670 WeakPolarHBondContact OH-CB 3.39Å; Y668-S670 PolarHBondContact OH-OG 2.84Å; Y668-F699 PolarHBondContact N-O 3.03Å; Y668-T700 HydrophobicContact CD1-CG2 4.39Å; Y668-T700 CarbonylContact O-C 3.56Å; Y668-T700 WeakPolarHBondContact O-CA 3.38Å; Y668-V701 PolarHBondContact O-N 3.45Å
669	V	98.9	Very high	97.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117.9	177	-173.9	0	0	0	0	109.4	L644 I645 V646 D647 L667 L671 V701 V723	L644-V669 HydrophobicContact CD1-CG2 3.93Å; I645-V669 PolarHBondContact O-N 2.83Å; V646-V669 CarbonylContact C-O 3.4Å; V646-V669 WeakPolarHBondContact CA-O 3.49Å; D647-V669 PolarHBondContact N-O 3.18Å; L667-V669 HydrophobicContact CD1-CG2 4Å; L667-V669 HydrophobicContact CD2-CG2 4.38Å; L667-V669 HydrophobicContact CG-CG2 3.95Å; V669-L671 HydrophobicContact CG1-CD1 4.3Å; V669-V701 CarbonylContact C-O 3.5Å; V669-V701 WeakPolarHBondContact CA-O 3.46Å; V669-V701 HydrophobicContact CB-CB 4.42Å; V669-V701 HydrophobicContact CG1-CB 4.18Å; V669-V701 HydrophobicContact CG1-CG1 4.32Å; V669-V701 HydrophobicContact CG2-CB 4.13Å; V669-V701 HydrophobicContact CG2-CG2 4.26Å; V669-V723 HydrophobicContact CG1-CG1 4.18Å; V669-V723 HydrophobicContact CG1-CG2 4.1Å
670	S	98.8	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.3	-177.2	-174.4	0	0	0	0	112.5	D647 Y668 H672 V701 V703	D647-S670 CarbonylContact O-C 3.54Å; D647-S670 WeakPolarHBondContact O-CA 3.34Å; Y668-S670 WeakPolarHBondContact OH-CB 3.39Å; Y668-S670 PolarHBondContact OH-OG 2.84Å; S670-H672 PolarHBondContact OG-ND1 3.21Å; S670-V701 PolarHBondContact N-O 2.96Å; S670-V703 PolarHBondContact O-N 3.19Å
671	L	98.5	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.			trans	-124.4	64.9	-178.8	-60.4	97.3	0	0	0	112.1	V646 D647 V669 V703 W705 Y715 A718 W719 V723	V646-L671 HydrophobicContact CG1-CD1 4.39Å; D647-L671 PolarHBondContact O-N 3.41Å; V669-L671 HydrophobicContact CG1-CD1 4.3Å; L671-V703 HydrophobicContact CB-CB 4.36Å; L671-V703 HydrophobicContact CD2-CB 4.17Å; L671-V703 HydrophobicContact CD2-CG1 4.43Å; L671-V703 HydrophobicContact CD2-CG2 4.03Å; L671-V703 HydrophobicContact CG-CB 3.97Å; L671-V703 HydrophobicContact CG-CG2 3.9Å; L671-W705 HydrophobicContact CB-CZ2 4.42Å; L671-W705 HydrophobicContact CD2-CZ2 4.04Å; L671-W705 PolarHBondContact O-NE1 3.27Å; L671-Y715 HydrophobicContact CB-CE1 4.06Å; L671-Y715 PolarHBondContact O-OH 2.91Å; L671-A718 HydrophobicContact CD2-CB 3.48Å; L671-A718 VanDerWaalsContact CD2-CB 3.48Å; L671-W719 HydrophobicContact CD1-CE3 4.47Å; L671-W719 HydrophobicContact CD1-CH2 3.98Å; L671-W719 HydrophobicContact CD1-CZ3 3.58Å; L671-W719 HydrophobicContact CD2-CE3 4.02Å; L671-W719 HydrophobicContact CD2-CZ3 3.68Å; L671-W719 HydrophobicContact CG-CZ3 4.21Å; L671-V723 HydrophobicContact CD1-CG2 4.13Å; L671-V723 HydrophobicContact CD2-CG2 4.08Å
672	H	98.4	Very high	96.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.177	C	C	.	.			trans	-104.3	162.3	-168.4	57.4	-97.6	0	0	0	113.2	H652 S670 G686 W705	H652-H672 HydrophobicContact CB-CB 4.28Å; H652-H672 AromaticContact CD2-CE1 3.54Å; H652-H672 AromaticContact CD2-ND1 3.69Å; H652-H672 AromaticContact CG-CE1 3.92Å; S670-H672 PolarHBondContact OG-ND1 3.21Å; H672-G686 PolarHBondContact CE1-O 3.06Å; H672-G686 PolarHBondContact NE2-O 3.17Å; H672-W705 VanDerWaalsContact C-CD1 3.46Å; H672-W705 WeakPolarHBondContact O-CB 3.45Å; H672-W705 PolarHBondContact O-N 3.32Å
673	R	97.5	Very high	96.6	Very high	39 Å²	39	31.2 Å²	31.2	15%	0.147	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-77.3	125.6	170.3	-174.9	170.4	166.8	-151	-13.6	110.4	V650 D675 F679 G750	V650-R673 HydrophobicContact CG2-CB 3.88Å; V650-R673 PolarHBondContact O-N 2.89Å; R673-D675 WeakPolarHBondContact CG-OD1 3.05Å; R673-D675 IonicContact CZ-OD1 2.76Å; R673-D675 IonicContact CZ-OD2 2.66Å; R673-D675 VanDerWaalsContact CZ-OD2 3.26Å; R673-D675 IonicContact NE-OD1 2.74Å; R673-D675 PolarHBondContact NE-OD1 3.37Å; R673-D675 IonicContact NE-OD2 3.19Å; R673-D675 PolarHBondContact NE-OD2 2.8Å; R673-D675 VanDerWaalsContact NE-OD2 3.08Å; R673-D675 IonicContact NH2-OD1 3.66Å; R673-D675 IonicContact NH2-OD2 2.98Å; R673-D675 PolarHBondContact NH2-OD2 3.46Å; R673-F679 HydrophobicContact CB-CD1 3.79Å; R673-F679 HydrophobicContact CB-CE1 3.98Å; R673-F679 HydrophobicContact CB-CG 4.1Å; R673-F679 HydrophobicContact CB-CZ 4.47Å; R673-F679 HydrophobicContact CG-CB 4.29Å; R673-F679 HydrophobicContact CG-CD1 4.09Å; R673-F679 HydrophobicContact CG-CD2 4.01Å; R673-F679 HydrophobicContact CG-CE1 4.43Å; R673-F679 HydrophobicContact CG-CE2 4.4Å; R673-F679 HydrophobicContact CG-CG 3.86Å; R673-F679 WeakPolarHBondContact O-CB 3.48Å; R673-F679 WeakPolarHBondContact O-CD1 3.5Å; R673-G750 PolarHBondContact NH1-O 3.45Å
674	Y	97.4	Very high	96.5	Very high	28 Å²	28	35.2 Å²	35.2	11%	0.11	19%	0.194	C	C	.	.			trans	-108.9	-39.2	-175.3	-175.6	-122.9	0	0	0	112	H676 G677 T678 F679 G683 D684 A687 A704 W705 N706	Y674-H676 PolarHBondContact O-N 2.6Å; Y674-G677 VanDerWaalsContact CE1-N 3.31Å; Y674-G677 VanDerWaalsContact CE2-CA 3.45Å; Y674-G677 PolarHBondContact O-N 3.16Å; Y674-T678 PolarHBondContact O-N 2.95Å; Y674-T678 VanDerWaalsContact O-N 3.11Å; Y674-F679 PolarHBondContact O-N 3.12Å; Y674-F679 VanDerWaalsContact O-N 3.14Å; Y674-G683 WeakPolarHBondContact CE2-O 3.24Å; Y674-D684 WeakPolarHBondContact OH-CA 3.48Å; Y674-D684 PolarHBondContact OH-OD1 2.8Å; Y674-A687 HydrophobicContact CE1-CB 4.43Å; Y674-A687 HydrophobicContact CE2-CB 4.42Å; Y674-A704 HydrophobicContact CD1-CB 3.8Å; Y674-A704 HydrophobicContact CD2-CB 4.49Å; Y674-A704 HydrophobicContact CG-CB 3.79Å; Y674-W705 PolarHBondContact N-O 3.32Å; Y674-N706 WeakPolarHBondContact CD1-OD1 3.48Å
675	D	95.8	Very high	96.4	Very high	32 Å²	32	37 Å²	37	17%	0.171	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.1	47.7	-173.5	-69.8	-3.3	0	0	0	112.3	R673 G677 T678 F679 W705 G707	R673-D675 WeakPolarHBondContact CG-OD1 3.05Å; R673-D675 IonicContact CZ-OD1 2.76Å; R673-D675 IonicContact CZ-OD2 2.66Å; R673-D675 VanDerWaalsContact CZ-OD2 3.26Å; R673-D675 IonicContact NE-OD1 2.74Å; R673-D675 PolarHBondContact NE-OD1 3.37Å; R673-D675 IonicContact NE-OD2 3.19Å; R673-D675 PolarHBondContact NE-OD2 2.8Å; R673-D675 VanDerWaalsContact NE-OD2 3.08Å; R673-D675 IonicContact NH2-OD1 3.66Å; R673-D675 IonicContact NH2-OD2 2.98Å; R673-D675 PolarHBondContact NH2-OD2 3.46Å; D675-G677 PolarHBondContact O-N 3.36Å; D675-T678 WeakPolarHBondContact CB-OG1 3.43Å; D675-T678 WeakPolarHBondContact O-CB 3.48Å; D675-T678 PolarHBondContact O-N 2.93Å; D675-T678 PolarHBondContact O-OG1 2.87Å; D675-F679 HydrophobicContact CB-CB 4.25Å; D675-W705 PolarHBondContact N-O 3.39Å; D675-G707 WeakPolarHBondContact OD1-CA 3.32Å; D675-G707 PolarHBondContact OD1-N 3.08Å
676	H	95.4	Very high	96.3	Very high	144 Å²	144	36.6 Å²	36.6	67%	0.667	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	50.7	-173	-51.3	-65.5	0	0	0	114.2	Y674 T678 N706	Y674-H676 PolarHBondContact O-N 2.6Å; H676-T678 VanDerWaalsContact C-N 3.29Å; H676-T678 PolarHBondContact O-N 3.09Å; H676-N706 VanDerWaalsContact CE1-CG 3.48Å; H676-N706 PolarHBondContact CE1-OD1 2.78Å; H676-N706 PolarHBondContact N-OD1 2.69Å; H676-N706 PolarHBondContact ND1-OD1 2.97Å
677	G	94.6	Very high	96.2	Very high	11 Å²	11	36.9 Å²	36.9	11%	0.113	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	15.6	178.5	0	0	0	0	0	114.7	Y674 D675 M682 G683	Y674-G677 VanDerWaalsContact CE1-N 3.31Å; Y674-G677 VanDerWaalsContact CE2-CA 3.45Å; Y674-G677 PolarHBondContact O-N 3.16Å; D675-G677 PolarHBondContact O-N 3.36Å; G677-M682 WeakPolarHBondContact O-CA 3.29Å; G677-G683 VanDerWaalsContact CA-O 3.3Å; G677-G683 WeakPolarHBondContact CA-O 3.23Å; G677-G683 PolarHBondContact O-N 3.11Å
678	T	96.1	Very high	96.1	Very high	102 Å²	102	37.2 Å²	37.2	63%	0.626	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-9	-178.2	72.2	0	0	0	0	114.9	Y674 D675 H676	Y674-T678 PolarHBondContact O-N 2.95Å; Y674-T678 VanDerWaalsContact O-N 3.11Å; D675-T678 WeakPolarHBondContact CB-OG1 3.43Å; D675-T678 WeakPolarHBondContact O-CB 3.48Å; D675-T678 PolarHBondContact O-N 2.93Å; D675-T678 PolarHBondContact O-OG1 2.87Å; H676-T678 VanDerWaalsContact C-N 3.29Å; H676-T678 PolarHBondContact O-N 3.09Å
679	F	95.3	Very high	96	Very high	30 Å²	30	40.7 Å²	40.7	13%	0.132	22%	0.224	C	C	.	.	S	Bend	trans	-81.7	161.4	165.5	-156.2	-105.9	0	0	0	110.7	V650 H651 R673 Y674 D675 M682	V650-F679 HydrophobicContact CG1-CE1 4.2Å; V650-F679 HydrophobicContact CG1-CZ 4.47Å; H651-F679 AromaticContact CD2-CE1 3.4Å; H651-F679 WeakPolarHBondContact CD2-CE1 3.33Å; H651-F679 AromaticContact NE2-CE1 3.65Å; H651-F679 AromaticContact NE2-CZ 3.98Å; R673-F679 HydrophobicContact CB-CD1 3.79Å; R673-F679 HydrophobicContact CB-CE1 3.98Å; R673-F679 HydrophobicContact CB-CG 4.1Å; R673-F679 HydrophobicContact CB-CZ 4.47Å; R673-F679 HydrophobicContact CG-CB 4.29Å; R673-F679 HydrophobicContact CG-CD1 4.09Å; R673-F679 HydrophobicContact CG-CD2 4.01Å; R673-F679 HydrophobicContact CG-CE1 4.43Å; R673-F679 HydrophobicContact CG-CE2 4.4Å; R673-F679 HydrophobicContact CG-CG 3.86Å; R673-F679 WeakPolarHBondContact O-CB 3.48Å; R673-F679 WeakPolarHBondContact O-CD1 3.5Å; Y674-F679 PolarHBondContact O-N 3.12Å; Y674-F679 VanDerWaalsContact O-N 3.14Å; D675-F679 HydrophobicContact CB-CB 4.25Å; F679-M682 WeakPolarHBondContact O-CA 3.5Å; F679-M682 WeakPolarHBondContact O-CG 3.14Å; F679-M682 PolarHBondContact O-N 3.33Å
680	F	94.4	Very high	96	Very high	33 Å²	33	43.8 Å²	43.8	15%	0.145	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	138.4	-178.5	-177.5	-89.3	0	0	0	110.8	H611	H611-F680 AromaticContact CD2-CE1 3.92Å; H611-F680 AromaticContact CE1-CD1 3.95Å; H611-F680 AromaticContact CE1-CE1 3.69Å; H611-F680 AromaticContact NE2-CD1 3.83Å; H611-F680 AromaticContact NE2-CE1 3.5Å
681	P	95.1	Very high	95.9	Very high	30 Å²	30	45.2 Å²	45.2	20%	0.195	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	cis	-76.1	-9.3	11.6	29.9	-35.7	0	0	0	116.9	H652 N654	H652-P681 HydrophobicContact CB-CG 4.45Å; N654-P681 HydrophobicContact CB-CG 4.22Å
682	M	92.3	Very high	95.9	Very high	75 Å²	75	45.9 Å²	45.9	37%	0.369	25%	0.253	S	S	.	.			trans	73.7	146.9	-173.3	-50.6	170.9	-69.2	0	0	114.3	V50 G677 F679	V50-M682 HydrophobicContact CG1-CE 4.36Å; V50-M682 HydrophobicContact CG1-SD 4.08Å; G677-M682 WeakPolarHBondContact O-CA 3.29Å; F679-M682 WeakPolarHBondContact O-CA 3.5Å; F679-M682 WeakPolarHBondContact O-CG 3.14Å; F679-M682 PolarHBondContact O-N 3.33Å
683	G	92.9	Very high	95.8	Very high	32 Å²	32	51 Å²	51	33%	0.33	27%	0.272	S	S	.	.	S	Bend	trans	106.8	-175.7	-173.3	0	0	0	0	0	112.3	Y674 G677	Y674-G683 WeakPolarHBondContact CE2-O 3.24Å; G677-G683 VanDerWaalsContact CA-O 3.3Å; G677-G683 WeakPolarHBondContact CA-O 3.23Å; G677-G683 PolarHBondContact O-N 3.11Å
684	D	94.6	Very high	95.8	Very high	113 Å²	113	53 Å²	53	60%	0.604	30%	0.298	S	S	*	.	S	Bend	trans	-95.3	5.3	-171.3	-54.4	-59.8	0	0	0	113.5	Y674 A687 Q690	Y674-D684 WeakPolarHBondContact OH-CA 3.48Å; Y674-D684 PolarHBondContact OH-OD1 2.8Å; D684-A687 VanDerWaalsContact O-CB 3.23Å; D684-A687 WeakPolarHBondContact O-CB 3.48Å; D684-A687 PolarHBondContact O-N 3.25Å; D684-Q690 VanDerWaalsContact O-CG 3.24Å; D684-Q690 WeakPolarHBondContact O-CG 3.18Å; D684-Q690 PolarHBondContact O-NE2 3.09Å
685	E	94.2	Very high	95.6	Very high	93 Å²	93	54.8 Å²	54.8	44%	0.435	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.5	-174.2	-73.8	162.6	-165.1	0	0	113.8	H652 Q657 H658 Q690	H652-E685 VanDerWaalsContact CE1-C 3.46Å; H652-E685 PolarHBondContact CE1-O 2.93Å; H652-E685 VanDerWaalsContact CE1-O 3.22Å; Q657-E685 PolarHBondContact NE2-O 3.15Å; Q657-E685 PolarHBondContact OE1-O 2.82Å; H658-E685 IonicContact CE1-OE2 3.8Å; H658-E685 IonicContact NE2-OE2 3.72Å; E685-Q690 WeakPolarHBondContact O-CG 3.34Å
686	G	95.3	Very high	95.7	Very high	4 Å²	4	53.2 Å²	53.2	4%	0.041	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	7.6	169.7	0	0	0	0	0	114.2	H672 N702	H672-G686 PolarHBondContact CE1-O 3.06Å; H672-G686 PolarHBondContact NE2-O 3.17Å; G686-N702 WeakPolarHBondContact O-CB 3.39Å
687	A	97.7	Very high	95.8	Very high	7 Å²	7	48.5 Å²	48.5	6%	0.058	29%	0.291	C	S	.	.	S	Bend	trans	-66.2	148.1	179.6	0	0	0	0	0	111.7	Y674 D684 S689 Q690 N702	Y674-A687 HydrophobicContact CE1-CB 4.43Å; Y674-A687 HydrophobicContact CE2-CB 4.42Å; D684-A687 VanDerWaalsContact O-CB 3.23Å; D684-A687 WeakPolarHBondContact O-CB 3.48Å; D684-A687 PolarHBondContact O-N 3.25Å; A687-S689 WeakPolarHBondContact CB-OG 3.23Å; A687-S689 PolarHBondContact O-N 3.23Å; A687-Q690 HydrophobicContact CB-CG 4.2Å; A687-Q690 WeakPolarHBondContact O-CB 3.27Å; A687-Q690 PolarHBondContact O-N 3.34Å; A687-N702 WeakPolarHBondContact O-CB 3.36Å
688	S	97.1	Very high	95.9	Very high	7 Å²	7	48 Å²	48	5%	0.049	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.8	170.7	51.3	0	0	0	0	114.2	N702 E822 V826	S688-N702 WeakPolarHBondContact CA-O 3.42Å; S688-E822 PolarHBondContact OG-OE2 3.38Å; S688-V826 WeakPolarHBondContact O-CG1 3.41Å
689	S	96.7	Very high	96	Very high	73 Å²	73	45.2 Å²	45.2	51%	0.51	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.6	173.3	55.6	0	0	0	0	114.6	A687	A687-S689 WeakPolarHBondContact CB-OG 3.23Å; A687-S689 PolarHBondContact O-N 3.23Å
690	Q	97.8	Very high	96.2	Very high	65 Å²	65	43.9 Å²	43.9	30%	0.304	26%	0.259	S	S	.	.			trans	-87.6	114.4	175.5	-53.6	-64.5	1	0	0	109.3	D684 E685 A687	D684-Q690 VanDerWaalsContact O-CG 3.24Å; D684-Q690 WeakPolarHBondContact O-CG 3.18Å; D684-Q690 PolarHBondContact O-NE2 3.09Å; E685-Q690 WeakPolarHBondContact O-CG 3.34Å; A687-Q690 HydrophobicContact CB-CG 4.2Å; A687-Q690 WeakPolarHBondContact O-CB 3.27Å; A687-Q690 PolarHBondContact O-N 3.34Å
691	I	97.8	Very high	96.4	Very high	30 Å²	30	42.3 Å²	42.3	15%	0.154	25%	0.252	C	S	.	.			trans	-121.9	7.8	-165.3	58.5	172.4	0	0	0	113.5	T697 G698 T700 V826 Y830	I691-T697 HydrophobicContact CD1-CG2 3.75Å; I691-T697 HydrophobicContact CG1-CG2 4.2Å; I691-G698 PolarHBondContact O-N 2.96Å; I691-T700 WeakPolarHBondContact CA-O 3.41Å; I691-V826 HydrophobicContact CG2-CG1 3.28Å; I691-Y830 HydrophobicContact CD1-CE2 3.89Å; I691-Y830 VanDerWaalsContact CD1-OH 3.28Å; I691-Y830 WeakPolarHBondContact CD1-OH 3.43Å
692	G	96.9	Very high	96.6	Very high	15 Å²	15	40.9 Å²	40.9	16%	0.155	24%	0.243	C	C	.	.			trans	81.8	-178.2	-165.4	0	0	0	0	0	112.2	E661	E661-G692 CarbonylContact O-C 3.55Å; E661-G692 WeakPolarHBondContact O-CA 3.3Å
693	R	97.1	Very high	96.9	Very high	108 Å²	108	37.3 Å²	37.3	41%	0.408	23%	0.225	S	C	.	.			trans	-141.9	162	-169.9	71.8	-160.7	173.9	-150.4	-3.5	110.7	H658 E661 D662 A695 G696 T697	H658-R693 PolarHBondContact O-NH2 3.37Å; E661-R693 HydrophobicContact CB-CG 4.09Å; E661-R693 PolarHBondContact O-N 2.91Å; E661-R693 VanDerWaalsContact O-O 3.11Å; E661-R693 WeakPolarHBondContact OE2-CD 3.31Å; E661-R693 IonicContact OE2-CZ 3.79Å; E661-R693 IonicContact OE2-NE 3.49Å; E661-R693 IonicContact OE2-NH1 3.82Å; E661-R693 PolarHBondContact OE2-NH1 2.77Å; D662-R693 WeakPolarHBondContact CA-O 3.45Å; D662-R693 HydrophobicContact CB-CG 3.85Å; D662-R693 IonicContact OD1-CZ 2.63Å; D662-R693 IonicContact OD1-NE 4Å; D662-R693 PolarHBondContact OD1-NE 2.8Å; D662-R693 IonicContact OD1-NH2 2.84Å; D662-R693 PolarHBondContact OD1-NH2 3.19Å; R693-A695 PolarHBondContact O-N 3.34Å; R693-G696 PolarHBondContact O-N 3.01Å; R693-T697 VanDerWaalsContact C-OG1 3.23Å; R693-T697 PolarHBondContact O-N 3.11Å
694	A	96.6	Very high	97.1	Very high	82 Å²	82	35.8 Å²	35.8	68%	0.678	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	48	-123.3	178.6	0	0	0	0	0	112.1	D662 T697	D662-A694 HydrophobicContact CB-CB 4.27Å; A694-T697 PolarHBondContact N-OG1 2.81Å; A694-T697 WeakPolarHBondContact O-CB 3.2Å; A694-T697 PolarHBondContact O-N 2.9Å; A694-T697 PolarHBondContact O-OG1 3.4Å
695	A	94.7	Very high	97.2	Very high	64 Å²	64	30.4 Å²	30.4	53%	0.529	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-73.2	-27.3	-179.9	0	0	0	0	0	113.7	P664 R693 T697	P664-A695 WeakPolarHBondContact CB-O 3.37Å; P664-A695 HydrophobicContact CG-CB 4.01Å; R693-A695 PolarHBondContact O-N 3.34Å; A695-T697 PolarHBondContact O-N 3.44Å
696	G	96.8	Very high	97.3	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-78.4	5.5	175.3	0	0	0	0	0	114.6	E661 D662 R693 G698 F699	E661-G696 CarbonylContact O-C 3.55Å; E661-G696 WeakPolarHBondContact O-CA 3.29Å; D662-G696 PolarHBondContact O-N 2.89Å; R693-G696 PolarHBondContact O-N 3.01Å; G696-G698 PolarHBondContact O-N 3.12Å; G696-G698 VanDerWaalsContact O-N 3.13Å; G696-F699 WeakPolarHBondContact O-CB 3.48Å; G696-F699 PolarHBondContact O-N 3.21Å
697	T	98.1	Very high	96.9	Very high	44 Å²	44	28.4 Å²	28.4	27%	0.27	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	114.2	177.4	-50.4	0	0	0	0	110.7	I691 R693 A694 A695 Y830	I691-T697 HydrophobicContact CD1-CG2 3.75Å; I691-T697 HydrophobicContact CG1-CG2 4.2Å; R693-T697 VanDerWaalsContact C-OG1 3.23Å; R693-T697 PolarHBondContact O-N 3.11Å; A694-T697 PolarHBondContact N-OG1 2.81Å; A694-T697 WeakPolarHBondContact O-CB 3.2Å; A694-T697 PolarHBondContact O-N 2.9Å; A694-T697 PolarHBondContact O-OG1 3.4Å; A695-T697 PolarHBondContact O-N 3.44Å; T697-Y830 HydrophobicContact CG2-CE1 4Å
698	G	96.9	Very high	96.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.01	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.7	-19.8	-172.9	0	0	0	0	0	113.9	I691 G696 W831	I691-G698 PolarHBondContact O-N 2.96Å; G696-G698 PolarHBondContact O-N 3.12Å; G696-G698 VanDerWaalsContact O-N 3.13Å; G698-W831 PolarHBondContact O-NE1 3.42Å
699	F	98.4	Very high	96.1	Very high	44 Å²	44	36.7 Å²	36.7	19%	0.193	21%	0.211	C	C	.	.	S	Bend	trans	-98.3	5.4	-170.6	-64	-99	0	0	0	114.4	P664 L667 Y668 G696 F730 W831	P664-F699 HydrophobicContact CB-CD1 4.38Å; P664-F699 HydrophobicContact CB-CD2 3.91Å; P664-F699 HydrophobicContact CB-CE1 4.13Å; P664-F699 HydrophobicContact CB-CE2 3.64Å; P664-F699 HydrophobicContact CB-CG 4.29Å; P664-F699 HydrophobicContact CB-CZ 3.75Å; P664-F699 VanDerWaalsContact O-CE1 3.31Å; P664-F699 WeakPolarHBondContact O-CE1 3.36Å; L667-F699 WeakPolarHBondContact CA-O 3.37Å; L667-F699 HydrophobicContact CB-CD1 4.49Å; Y668-F699 PolarHBondContact N-O 3.03Å; G696-F699 WeakPolarHBondContact O-CB 3.48Å; G696-F699 PolarHBondContact O-N 3.21Å; F699-F730 HydrophobicContact CD1-CD2 4.3Å; F699-F730 HydrophobicContact CD1-CE2 4.02Å; F699-F730 AromaticContact CE1-CD2 3.91Å; F699-F730 HydrophobicContact CE1-CD2 3.91Å; F699-F730 AromaticContact CE1-CE2 3.8Å; F699-F730 HydrophobicContact CE1-CE2 3.8Å; F699-W831 HydrophobicContact CD1-CH2 4.05Å; F699-W831 HydrophobicContact CD1-CZ2 4.03Å; F699-W831 AromaticContact CE1-CH2 3.75Å; F699-W831 HydrophobicContact CE1-CH2 3.75Å; F699-W831 HydrophobicContact CE1-CZ2 4.11Å; F699-W831 HydrophobicContact CG-CZ2 4.4Å; F699-W831 HydrophobicContact CZ-CH2 4.28Å
700	T	98.7	Very high	96.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.4	164.8	-66.6	0	0	0	0	107.7	Q657 Y668 I691 H827	Q657-T700 HydrophobicContact CG-CG2 3.74Å; Y668-T700 HydrophobicContact CD1-CG2 4.39Å; Y668-T700 CarbonylContact O-C 3.56Å; Y668-T700 WeakPolarHBondContact O-CA 3.38Å; I691-T700 WeakPolarHBondContact CA-O 3.41Å; T700-H827 PolarHBondContact O-CE1 3.12Å; T700-H827 PolarHBondContact O-NE2 2.76Å
701	V	98.8	Very high	95.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	112.5	-174.2	-173.8	0	0	0	0	109.9	L667 Y668 V669 S670 L722 I726 T823	L667-V701 HydrophobicContact CD1-CG2 4.04Å; Y668-V701 PolarHBondContact O-N 3.45Å; V669-V701 CarbonylContact C-O 3.5Å; V669-V701 WeakPolarHBondContact CA-O 3.46Å; V669-V701 HydrophobicContact CB-CB 4.42Å; V669-V701 HydrophobicContact CG1-CB 4.18Å; V669-V701 HydrophobicContact CG1-CG1 4.32Å; V669-V701 HydrophobicContact CG2-CB 4.13Å; V669-V701 HydrophobicContact CG2-CG2 4.26Å; S670-V701 PolarHBondContact N-O 2.96Å; V701-L722 HydrophobicContact CG1-CD2 3.85Å; V701-L722 HydrophobicContact CG1-CG 4.4Å; V701-I726 HydrophobicContact CG1-CD1 4.02Å; V701-I726 HydrophobicContact CG2-CD1 4.07Å; V701-T823 HydrophobicContact CG1-CG2 3.94Å
702	N	98.8	Very high	95.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	110.4	-175	-76.7	-43.7	0	0	0	112.5	H652 Q657 G686 A687 S688 A704 T823	H652-N702 PolarHBondContact CD2-OD1 2.92Å; H652-N702 PolarHBondContact NE2-OD1 3.38Å; Q657-N702 PolarHBondContact OE1-ND2 2.71Å; G686-N702 WeakPolarHBondContact O-CB 3.39Å; A687-N702 WeakPolarHBondContact O-CB 3.36Å; S688-N702 WeakPolarHBondContact CA-O 3.42Å; N702-A704 PolarHBondContact O-N 3.33Å; N702-T823 PolarHBondContact O-OG1 2.93Å
703	V	98.4	Very high	95.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.			trans	-88.7	80.7	173.5	-167.5	0	0	0	0	109.5	S670 L671 W705 A718 L722 I820 T823	S670-V703 PolarHBondContact O-N 3.19Å; L671-V703 HydrophobicContact CB-CB 4.36Å; L671-V703 HydrophobicContact CD2-CB 4.17Å; L671-V703 HydrophobicContact CD2-CG1 4.43Å; L671-V703 HydrophobicContact CD2-CG2 4.03Å; L671-V703 HydrophobicContact CG-CB 3.97Å; L671-V703 HydrophobicContact CG-CG2 3.9Å; V703-W705 HydrophobicContact CG1-CD2 4.3Å; V703-W705 HydrophobicContact CG1-CE3 4.04Å; V703-W705 HydrophobicContact CG1-CH2 3.7Å; V703-W705 HydrophobicContact CG1-CZ2 3.91Å; V703-W705 HydrophobicContact CG1-CZ3 3.73Å; V703-W705 PolarHBondContact O-N 3.03Å; V703-A718 HydrophobicContact CG1-CB 4.44Å; V703-L722 HydrophobicContact CG2-CD2 3.29Å; V703-I820 HydrophobicContact CG1-CG1 4.27Å; V703-T823 HydrophobicContact CG2-CG2 4.49Å
704	A	97.9	Very high	95.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.148	C	C	.	.			trans	-73.3	91.1	-171.2	0	0	0	0	0	113	Y674 N702 N706 S819	Y674-A704 HydrophobicContact CD1-CB 3.8Å; Y674-A704 HydrophobicContact CD2-CB 4.49Å; Y674-A704 HydrophobicContact CG-CB 3.79Å; N702-A704 PolarHBondContact O-N 3.33Å; A704-N706 PolarHBondContact O-N 3.21Å; A704-N706 VanDerWaalsContact O-N 3.09Å; A704-N706 PolarHBondContact O-ND2 2.97Å; A704-S819 PolarHBondContact O-OG 2.96Å
705	W	97.8	Very high	95.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-67.5	111.3	-177.3	-55.1	126	0	0	0	112.3	L671 H672 Y674 D675 V703 G707 M710 D714 Y715 A718 A816 I820	L671-W705 HydrophobicContact CB-CZ2 4.42Å; L671-W705 HydrophobicContact CD2-CZ2 4.04Å; L671-W705 PolarHBondContact O-NE1 3.27Å; H672-W705 VanDerWaalsContact C-CD1 3.46Å; H672-W705 WeakPolarHBondContact O-CB 3.45Å; H672-W705 PolarHBondContact O-N 3.32Å; Y674-W705 PolarHBondContact N-O 3.32Å; D675-W705 PolarHBondContact N-O 3.39Å; V703-W705 HydrophobicContact CG1-CD2 4.3Å; V703-W705 HydrophobicContact CG1-CE3 4.04Å; V703-W705 HydrophobicContact CG1-CH2 3.7Å; V703-W705 HydrophobicContact CG1-CZ2 3.91Å; V703-W705 HydrophobicContact CG1-CZ3 3.73Å; V703-W705 PolarHBondContact O-N 3.03Å; W705-G707 VanDerWaalsContact C-N 3.28Å; W705-G707 PolarHBondContact O-N 2.73Å; W705-G707 VanDerWaalsContact O-N 3.12Å; W705-M710 HydrophobicContact CB-CE 3.83Å; W705-M710 HydrophobicContact CB-CG 3.89Å; W705-M710 HydrophobicContact CD2-CE 4.37Å; W705-M710 HydrophobicContact CD2-CG 3.98Å; W705-M710 HydrophobicContact CE3-CE 4.03Å; W705-M710 HydrophobicContact CE3-CG 4.36Å; W705-M710 HydrophobicContact CG-CE 4.35Å; W705-M710 HydrophobicContact CG-CG 3.79Å; W705-D714 HydrophobicContact CH2-CB 4.49Å; W705-D714 WeakPolarHBondContact CH2-O 3.37Å; W705-Y715 HydrophobicContact CZ2-CD2 4.22Å; W705-Y715 HydrophobicContact CZ2-CE2 4.23Å; W705-Y715 AromaticContact NE1-CE2 3.68Å; W705-Y715 AromaticContact NE1-CZ 3.56Å; W705-Y715 PolarHBondContact NE1-OH 2.98Å; W705-A718 HydrophobicContact CH2-CB 3.88Å; W705-A718 HydrophobicContact CZ2-CB 4.26Å; W705-A816 HydrophobicContact CE3-CB 4.11Å; W705-A816 HydrophobicContact CH2-CB 4.42Å; W705-A816 HydrophobicContact CZ3-CB 3.64Å; W705-I820 HydrophobicContact CH2-CD1 4.1Å; W705-I820 HydrophobicContact CH2-CG1 4.13Å; W705-I820 HydrophobicContact CZ3-CD1 4.14Å; W705-I820 HydrophobicContact CZ3-CG1 3.98Å
706	N	95.2	Very high	96	Very high	42 Å²	42	17.9 Å²	17.9	23%	0.225	9%	0.092	C	C	.	.			trans	-88.6	54.4	179.6	-70.3	-64.9	0	0	0	112.9	Y674 H676 A704	Y674-N706 WeakPolarHBondContact CD1-OD1 3.48Å; H676-N706 VanDerWaalsContact CE1-CG 3.48Å; H676-N706 PolarHBondContact CE1-OD1 2.78Å; H676-N706 PolarHBondContact N-OD1 2.69Å; H676-N706 PolarHBondContact ND1-OD1 2.97Å; A704-N706 PolarHBondContact O-N 3.21Å; A704-N706 VanDerWaalsContact O-N 3.09Å; A704-N706 PolarHBondContact O-ND2 2.97Å
707	G	86.8	Confident	96	Very high	14 Å²	14	18 Å²	18	14%	0.144	9%	0.094	C	C	.	.	S	Bend	trans	159.2	163.3	170.7	0	0	0	0	0	114.5	D675 W705	D675-G707 WeakPolarHBondContact OD1-CA 3.32Å; D675-G707 PolarHBondContact OD1-N 3.08Å; W705-G707 VanDerWaalsContact C-N 3.28Å; W705-G707 PolarHBondContact O-N 2.73Å; W705-G707 VanDerWaalsContact O-N 3.12Å
708	P	85.3	Confident	96	Very high	49 Å²	49	16 Å²	16	32%	0.318	8%	0.081	S	C	.	.	S	Bend	trans	-80	167.5	178.1	34.1	-37	0	0	0	112.9
709	R	92.6	Very high	96.1	Very high	139 Å²	139	15.9 Å²	15.9	53%	0.525	8%	0.081	S	C	.	.			trans	72.2	20.5	178	-47.1	-178	-56.8	-75.7	-9.5	116.5	G751 Q753 R810	R709-G751 WeakPolarHBondContact CA-O 3.1Å; R709-G751 PolarHBondContact N-O 3.33Å; R709-Q753 HydrophobicContact CB-CG 4.2Å; R709-R810 PolarHBondContact O-NH2 3.33Å
710	M	96	Very high	96.1	Very high	4 Å²	4	14 Å²	14	2%	0.02	7%	0.072	C	C	.	.			trans	-58.1	140.4	163.5	-52.4	-47.7	-168.9	0	0	109.3	W705 D714 Y715 C752 Q753 L813 A816	W705-M710 HydrophobicContact CB-CE 3.83Å; W705-M710 HydrophobicContact CB-CG 3.89Å; W705-M710 HydrophobicContact CD2-CE 4.37Å; W705-M710 HydrophobicContact CD2-CG 3.98Å; W705-M710 HydrophobicContact CE3-CE 4.03Å; W705-M710 HydrophobicContact CE3-CG 4.36Å; W705-M710 HydrophobicContact CG-CE 4.35Å; W705-M710 HydrophobicContact CG-CG 3.79Å; M710-D714 WeakPolarHBondContact CA-OD2 3Å; M710-D714 HydrophobicContact CB-CB 4.19Å; M710-Y715 HydrophobicContact CB-CE2 4.04Å; M710-C752 CarbonylContact O-C 3.43Å; M710-C752 WeakPolarHBondContact O-CA 3.33Å; M710-C752 VanDerWaalsContact O-CB 3.26Å; M710-C752 WeakPolarHBondContact O-CB 3.35Å; M710-Q753 PolarHBondContact O-N 3.21Å; M710-L813 HydrophobicContact SD-CD1 3.89Å; M710-A816 HydrophobicContact CE-CB 4.11Å; M710-A816 HydrophobicContact SD-CB 3.88Å
711	G	95.6	Very high	95.9	Very high	2 Å²	2	15 Å²	15	2%	0.021	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-151.5	-159.2	-177.5	0	0	0	0	0	111.3	A713 D714 Y715	G711-A713 PolarHBondContact O-N 3.24Å; G711-D714 PolarHBondContact N-OD2 3.45Å; G711-D714 WeakPolarHBondContact O-CA 3.35Å; G711-D714 WeakPolarHBondContact O-CB 3.23Å; G711-D714 PolarHBondContact O-N 2.96Å; G711-Y715 PolarHBondContact O-N 2.94Å
712	D	96.6	Very high	95.8	Very high	21 Å²	21	15 Å²	15	11%	0.112	8%	0.076	C	C	.	.	H	α-helix	trans	-53.3	-46.9	-164.8	-52.8	-30.3	0	0	0	114.2	D714 Y715 L716 V754 S755 L806 L808	D712-D714 VanDerWaalsContact C-N 3.29Å; D712-D714 PolarHBondContact O-N 3.15Å; D712-Y715 PolarHBondContact O-N 3.43Å; D712-L716 VanDerWaalsContact O-CB 3.29Å; D712-L716 WeakPolarHBondContact O-CB 3.25Å; D712-L716 WeakPolarHBondContact O-CG 3.3Å; D712-L716 PolarHBondContact O-N 2.9Å; D712-V754 VanDerWaalsContact OD1-CA 3.32Å; D712-V754 WeakPolarHBondContact OD1-CA 3.41Å; D712-S755 PolarHBondContact OD1-N 2.9Å; D712-S755 PolarHBondContact OD1-OG 3.12Å; D712-S755 VanDerWaalsContact OD2-CB 3.31Å; D712-S755 WeakPolarHBondContact OD2-CB 3.35Å; D712-S755 PolarHBondContact OD2-OG 2.87Å; D712-L806 HydrophobicContact CB-CD1 4.1Å; D712-L806 HydrophobicContact CB-CD2 4.36Å; D712-L808 HydrophobicContact CB-CD2 3.92Å
713	A	95.8	Very high	95.8	Very high	8 Å²	8	15 Å²	15	7%	0.066	8%	0.076	C	C	.	.	H	α-helix	trans	-62.5	-33.4	177.1	0	0	0	0	0	113.1	G711 A717 L808 P812	G711-A713 PolarHBondContact O-N 3.24Å; A713-A717 VanDerWaalsContact O-CB 3.23Å; A713-A717 WeakPolarHBondContact O-CB 3.29Å; A713-A717 PolarHBondContact O-N 2.94Å; A713-L808 HydrophobicContact CB-CD2 4.28Å; A713-P812 HydrophobicContact CB-CG 4.33Å
714	D	96.9	Very high	95.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-75.6	-43.8	-179.4	-49.5	-66.1	0	0	0	111.2	W705 M710 G711 D712 A717 A718 R810 P812 L813 A816	W705-D714 HydrophobicContact CH2-CB 4.49Å; W705-D714 WeakPolarHBondContact CH2-O 3.37Å; M710-D714 WeakPolarHBondContact CA-OD2 3Å; M710-D714 HydrophobicContact CB-CB 4.19Å; G711-D714 PolarHBondContact N-OD2 3.45Å; G711-D714 WeakPolarHBondContact O-CA 3.35Å; G711-D714 WeakPolarHBondContact O-CB 3.23Å; G711-D714 PolarHBondContact O-N 2.96Å; D712-D714 VanDerWaalsContact C-N 3.29Å; D712-D714 PolarHBondContact O-N 3.15Å; D714-A717 PolarHBondContact O-N 3.35Å; D714-A718 PolarHBondContact O-N 3.08Å; D714-A718 VanDerWaalsContact O-N 3.12Å; D714-R810 IonicContact OD1-NH1 3.58Å; D714-R810 PolarHBondContact OD1-NH1 2.81Å; D714-R810 IonicContact OD2-CZ 3.4Å; D714-R810 VanDerWaalsContact OD2-CZ 3.28Å; D714-R810 IonicContact OD2-NH1 2.79Å; D714-R810 PolarHBondContact OD2-NH1 2.81Å; D714-R810 IonicContact OD2-NH2 3.99Å; D714-R810 PolarHBondContact OD2-NH2 3.23Å; D714-P812 WeakPolarHBondContact OD1-CA 3.38Å; D714-L813 PolarHBondContact OD1-N 3.24Å; D714-A816 HydrophobicContact CB-CB 3.76Å; D714-A816 WeakPolarHBondContact OD1-CB 3.16Å
715	Y	98.1	Very high	95.8	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	8%	0.078	C	C	.	.	H	α-helix	trans	-67.7	-42.2	176.7	-84.5	-110	0	0	0	111.3	W648 L671 W705 M710 G711 D712 A718 W719 A743 V754 L762	W648-Y715 HydrophobicContact CB-CE1 4.47Å; L671-Y715 HydrophobicContact CB-CE1 4.06Å; L671-Y715 PolarHBondContact O-OH 2.91Å; W705-Y715 HydrophobicContact CZ2-CD2 4.22Å; W705-Y715 HydrophobicContact CZ2-CE2 4.23Å; W705-Y715 AromaticContact NE1-CE2 3.68Å; W705-Y715 AromaticContact NE1-CZ 3.56Å; W705-Y715 PolarHBondContact NE1-OH 2.98Å; M710-Y715 HydrophobicContact CB-CE2 4.04Å; G711-Y715 PolarHBondContact O-N 2.94Å; D712-Y715 PolarHBondContact O-N 3.43Å; Y715-A718 PolarHBondContact O-N 3.17Å; Y715-W719 HydrophobicContact CD1-CZ3 4.17Å; Y715-W719 PolarHBondContact O-N 3.5Å; Y715-A743 WeakPolarHBondContact OH-CB 3.43Å; Y715-V754 HydrophobicContact CD1-CG2 4.41Å; Y715-V754 HydrophobicContact CD2-CG2 3.59Å; Y715-V754 HydrophobicContact CE1-CG2 4.37Å; Y715-V754 HydrophobicContact CE2-CG2 3.55Å; Y715-V754 HydrophobicContact CG-CG2 4.04Å; Y715-L762 HydrophobicContact CD1-CD1 4Å
716	L	97.4	Very high	95.8	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.026	8%	0.078	C	C	.	.	H	α-helix	trans	-66.3	-36.1	174.5	-73.2	169.9	0	0	0	112.4	L332 D712 A718 W719 H720 H761 L762 L765 L806 L808	L332-L716 HydrophobicContact CD1-CD1 4.29Å; D712-L716 VanDerWaalsContact O-CB 3.29Å; D712-L716 WeakPolarHBondContact O-CB 3.25Å; D712-L716 WeakPolarHBondContact O-CG 3.3Å; D712-L716 PolarHBondContact O-N 2.9Å; L716-A718 VanDerWaalsContact C-N 3.28Å; L716-A718 PolarHBondContact O-N 3.24Å; L716-W719 PolarHBondContact O-N 3.44Å; L716-H720 WeakPolarHBondContact O-CB 3.38Å; L716-H720 VanDerWaalsContact O-CG 3.3Å; L716-H720 PolarHBondContact O-N 2.92Å; L716-H720 PolarHBondContact O-ND1 3.27Å; L716-H761 HydrophobicContact CD2-CB 4.47Å; L716-L762 HydrophobicContact CD2-CD2 3.87Å; L716-L762 HydrophobicContact CG-CD2 4.35Å; L716-L765 HydrophobicContact CD2-CD1 3.79Å; L716-L806 HydrophobicContact CD1-CD2 3.34Å; L716-L808 HydrophobicContact CD1-CD2 4.36Å
717	A	96.9	Very high	96	Very high	4 Å²	4	13.2 Å²	13.2	3%	0.033	7%	0.067	C	C	.	.	H	α-helix	trans	-60.6	-38.5	171.9	0	0	0	0	0	111.7	A713 D714 R721 P812 I820	A713-A717 VanDerWaalsContact O-CB 3.23Å; A713-A717 WeakPolarHBondContact O-CB 3.29Å; A713-A717 PolarHBondContact O-N 2.94Å; D714-A717 PolarHBondContact O-N 3.35Å; A717-R721 WeakPolarHBondContact O-CB 3.49Å; A717-R721 WeakPolarHBondContact O-CG 3.44Å; A717-R721 PolarHBondContact O-N 3.12Å; A717-R721 VanDerWaalsContact O-N 3.09Å; A717-P812 HydrophobicContact CB-CB 4.16Å; A717-P812 HydrophobicContact CB-CG 3.89Å; A717-I820 HydrophobicContact CB-CD1 3.85Å
718	A	98.1	Very high	96.5	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-70.3	-40.5	172.4	0	0	0	0	0	112.8	L671 V703 W705 D714 Y715 L716 L722 V723 I820	L671-A718 HydrophobicContact CD2-CB 3.48Å; L671-A718 VanDerWaalsContact CD2-CB 3.48Å; V703-A718 HydrophobicContact CG1-CB 4.44Å; W705-A718 HydrophobicContact CH2-CB 3.88Å; W705-A718 HydrophobicContact CZ2-CB 4.26Å; D714-A718 PolarHBondContact O-N 3.08Å; D714-A718 VanDerWaalsContact O-N 3.12Å; Y715-A718 PolarHBondContact O-N 3.17Å; L716-A718 VanDerWaalsContact C-N 3.28Å; L716-A718 PolarHBondContact O-N 3.24Å; A718-L722 WeakPolarHBondContact O-CA 3.43Å; A718-L722 WeakPolarHBondContact O-CB 3.44Å; A718-L722 PolarHBondContact O-N 2.92Å; A718-V723 PolarHBondContact O-N 3.27Å; A718-I820 HydrophobicContact CB-CD1 4.04Å; A718-I820 HydrophobicContact CB-CG1 4.06Å
719	W	98.3	Very high	97	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-57.9	-51.7	177	-111.1	-117.9	0	0	0	111.6	V646 W648 L671 Y715 L716 V723 L724 L762 L766	V646-W719 HydrophobicContact CG1-CH2 3.72Å; V646-W719 HydrophobicContact CG1-CZ2 3.9Å; W648-W719 HydrophobicContact CB-CH2 4.37Å; W648-W719 HydrophobicContact CE3-CH2 4.04Å; W648-W719 HydrophobicContact CE3-CZ2 4.08Å; L671-W719 HydrophobicContact CD1-CE3 4.47Å; L671-W719 HydrophobicContact CD1-CH2 3.98Å; L671-W719 HydrophobicContact CD1-CZ3 3.58Å; L671-W719 HydrophobicContact CD2-CE3 4.02Å; L671-W719 HydrophobicContact CD2-CZ3 3.68Å; L671-W719 HydrophobicContact CG-CZ3 4.21Å; Y715-W719 HydrophobicContact CD1-CZ3 4.17Å; Y715-W719 PolarHBondContact O-N 3.5Å; L716-W719 PolarHBondContact O-N 3.44Å; W719-V723 HydrophobicContact CD2-CB 4.28Å; W719-V723 HydrophobicContact CD2-CG2 4.23Å; W719-V723 HydrophobicContact CE3-CB 4.46Å; W719-V723 HydrophobicContact CE3-CG2 3.91Å; W719-V723 HydrophobicContact CG-CB 4.47Å; W719-V723 HydrophobicContact CZ3-CG2 4.32Å; W719-V723 PolarHBondContact O-N 3.01Å; W719-L724 HydrophobicContact CB-CD1 4.35Å; W719-L724 HydrophobicContact CB-CG 4.46Å; W719-L724 HydrophobicContact CG-CD1 4.49Å; W719-L724 HydrophobicContact CG-CG 4.35Å; W719-L724 WeakPolarHBondContact O-CB 3.38Å; W719-L724 WeakPolarHBondContact O-CG 3.5Å; W719-L724 PolarHBondContact O-N 3.5Å; W719-L762 HydrophobicContact CD2-CD2 3.69Å; W719-L762 HydrophobicContact CE3-CD1 4.38Å; W719-L762 HydrophobicContact CE3-CD2 3.93Å; W719-L762 HydrophobicContact CG-CD2 3.99Å; W719-L762 HydrophobicContact CH2-CB 4.4Å; W719-L762 HydrophobicContact CH2-CD1 3.83Å; W719-L762 HydrophobicContact CH2-CG 4.46Å; W719-L762 HydrophobicContact CZ2-CB 3.82Å; W719-L762 HydrophobicContact CZ2-CD1 4.1Å; W719-L762 HydrophobicContact CZ2-CD2 4.32Å; W719-L762 HydrophobicContact CZ2-CG 4.27Å; W719-L762 HydrophobicContact CZ3-CD1 3.95Å; W719-L762 HydrophobicContact CZ3-CD2 4.34Å; W719-L762 PolarHBondContact NE1-O 2.95Å; W719-L766 HydrophobicContact CZ2-CD1 4.18Å
720	H	97.3	Very high	97.3	Very high	4 Å²	4	6.3 Å²	6.3	2%	0.019	3%	0.032	C	C	.	.	I	π-helix	trans	-72.8	-32.4	-177.2	-65.3	128.6	0	0	0	114.4	L324 H325 P329 L332 L716 P725	L324-H720 WeakPolarHBondContact O-CB 3.15Å; H325-H720 PolarHBondContact ND1-O 3.49Å; P329-H720 HydrophobicContact CG-CB 4.01Å; L332-H720 VanDerWaalsContact CD1-CE1 3.44Å; L332-H720 WeakPolarHBondContact CD1-CE1 3.49Å; L716-H720 WeakPolarHBondContact O-CB 3.38Å; L716-H720 VanDerWaalsContact O-CG 3.3Å; L716-H720 PolarHBondContact O-N 2.92Å; L716-H720 PolarHBondContact O-ND1 3.27Å; H720-P725 WeakPolarHBondContact O-CG 3.4Å
721	R	95.9	Very high	97.3	Very high	21 Å²	21	6.8 Å²	6.8	8%	0.079	4%	0.035	C	C	.	.	I	π-helix	trans	-97.3	-16.9	-176.2	-59.2	176.8	-179.8	-155.4	4.2	114.3	V437 L438 V439 A717 I820 I824	V437-R721 PolarHBondContact O-NH2 2.93Å; L438-R721 VanDerWaalsContact C-NH2 3.28Å; L438-R721 PolarHBondContact O-NH2 2.91Å; V439-R721 PolarHBondContact O-NH1 3.41Å; V439-R721 PolarHBondContact O-NH2 3.11Å; A717-R721 WeakPolarHBondContact O-CB 3.49Å; A717-R721 WeakPolarHBondContact O-CG 3.44Å; A717-R721 PolarHBondContact O-N 3.12Å; A717-R721 VanDerWaalsContact O-N 3.09Å; R721-I820 HydrophobicContact CB-CG2 4.11Å; R721-I824 HydrophobicContact CB-CD1 4.2Å
722	L	96.1	Very high	97.4	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.034	C	C	.	.	I	π-helix	trans	-140	-61.2	-172.7	-171.9	87.6	0	0	0	113.7	V701 V703 A718 P725 I726 T823 I824 L834	V701-L722 HydrophobicContact CG1-CD2 3.85Å; V701-L722 HydrophobicContact CG1-CG 4.4Å; V703-L722 HydrophobicContact CG2-CD2 3.29Å; A718-L722 WeakPolarHBondContact O-CA 3.43Å; A718-L722 WeakPolarHBondContact O-CB 3.44Å; A718-L722 PolarHBondContact O-N 2.92Å; L722-P725 WeakPolarHBondContact O-CD 3.3Å; L722-I726 HydrophobicContact CD1-CD1 3.94Å; L722-I726 HydrophobicContact CG-CD1 3.9Å; L722-I726 WeakPolarHBondContact O-CB 3.42Å; L722-I726 VanDerWaalsContact O-CG1 3.23Å; L722-I726 WeakPolarHBondContact O-CG1 3.46Å; L722-I726 PolarHBondContact O-N 3.39Å; L722-I726 VanDerWaalsContact O-N 3.17Å; L722-T823 HydrophobicContact CD1-CG2 4.06Å; L722-T823 HydrophobicContact CD2-CG2 3.75Å; L722-I824 HydrophobicContact CD1-CG1 3.7Å; L722-L834 HydrophobicContact CD1-CD1 3.92Å; L722-L834 HydrophobicContact CD1-CD2 4.02Å
723	V	98.6	Very high	97.4	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.006	3%	0.034	C	C	.	.	I	π-helix	trans	-65.5	-51.6	-167.7	-171.8	0	0	0	0	111.8	V669 L671 A718 W719 A727	V669-V723 HydrophobicContact CG1-CG1 4.18Å; V669-V723 HydrophobicContact CG1-CG2 4.1Å; L671-V723 HydrophobicContact CD1-CG2 4.13Å; L671-V723 HydrophobicContact CD2-CG2 4.08Å; A718-V723 PolarHBondContact O-N 3.27Å; W719-V723 HydrophobicContact CD2-CB 4.28Å; W719-V723 HydrophobicContact CD2-CG2 4.23Å; W719-V723 HydrophobicContact CE3-CB 4.46Å; W719-V723 HydrophobicContact CE3-CG2 3.91Å; W719-V723 HydrophobicContact CG-CB 4.47Å; W719-V723 HydrophobicContact CZ3-CG2 4.32Å; W719-V723 PolarHBondContact O-N 3.01Å; V723-A727 WeakPolarHBondContact O-CB 3.27Å; V723-A727 PolarHBondContact O-N 2.73Å
724	L	98.5	Very high	97.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-69	-44.7	-179.4	-61	171.1	0	0	0	112.5	L324 W719 I726 A727 Y728 L765 L766	L324-L724 HydrophobicContact CD1-CB 3.86Å; L324-L724 HydrophobicContact CD2-CB 3.81Å; L324-L724 HydrophobicContact CD2-CD1 3.55Å; L324-L724 HydrophobicContact CD2-CG 4.35Å; W719-L724 HydrophobicContact CB-CD1 4.35Å; W719-L724 HydrophobicContact CB-CG 4.46Å; W719-L724 HydrophobicContact CG-CD1 4.49Å; W719-L724 HydrophobicContact CG-CG 4.35Å; W719-L724 WeakPolarHBondContact O-CB 3.38Å; W719-L724 WeakPolarHBondContact O-CG 3.5Å; W719-L724 PolarHBondContact O-N 3.5Å; L724-I726 VanDerWaalsContact C-N 3.35Å; L724-I726 PolarHBondContact O-N 3.14Å; L724-A727 PolarHBondContact O-N 3.02Å; L724-A727 VanDerWaalsContact O-N 3.13Å; L724-Y728 HydrophobicContact CB-CD2 4.32Å; L724-Y728 HydrophobicContact CB-CE2 4.33Å; L724-Y728 VanDerWaalsContact O-CD2 3.25Å; L724-Y728 WeakPolarHBondContact O-CD2 3.42Å; L724-Y728 PolarHBondContact O-N 3.08Å; L724-L765 HydrophobicContact CD1-CB 4.05Å; L724-L765 HydrophobicContact CD1-CD1 4.28Å; L724-L765 HydrophobicContact CD1-CD2 4.32Å; L724-L765 HydrophobicContact CD1-CG 4.45Å; L724-L765 HydrophobicContact CD2-CB 4.36Å; L724-L766 HydrophobicContact CD2-CD2 4.25Å
725	P	97.9	Very high	97.6	Very high	5 Å²	5	6.5 Å²	6.5	3%	0.032	3%	0.031	C	C	.	.	H	α-helix	trans	-52.4	-48.2	174	-28.8	35	0	0	0	113.6	L324 H720 L722 E729 S833 L834	L324-P725 HydrophobicContact CD1-CG 4.07Å; H720-P725 WeakPolarHBondContact O-CG 3.4Å; L722-P725 WeakPolarHBondContact O-CD 3.3Å; P725-E729 WeakPolarHBondContact O-CB 3.43Å; P725-E729 PolarHBondContact O-N 3.27Å; P725-E729 VanDerWaalsContact O-N 3.16Å; P725-S833 PolarHBondContact O-OG 3.29Å; P725-L834 HydrophobicContact CB-CD2 4.12Å
726	I	98.3	Very high	97.6	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.1	-44.3	176.1	-63.7	171.6	0	0	0	110.7	L667 V701 L722 L724 Y728 E729 F730 W831 L834	L667-I726 HydrophobicContact CD1-CG2 4.18Å; L667-I726 HydrophobicContact CD2-CG2 3.65Å; V701-I726 HydrophobicContact CG1-CD1 4.02Å; V701-I726 HydrophobicContact CG2-CD1 4.07Å; L722-I726 HydrophobicContact CD1-CD1 3.94Å; L722-I726 HydrophobicContact CG-CD1 3.9Å; L722-I726 WeakPolarHBondContact O-CB 3.42Å; L722-I726 VanDerWaalsContact O-CG1 3.23Å; L722-I726 WeakPolarHBondContact O-CG1 3.46Å; L722-I726 PolarHBondContact O-N 3.39Å; L722-I726 VanDerWaalsContact O-N 3.17Å; L724-I726 VanDerWaalsContact C-N 3.35Å; L724-I726 PolarHBondContact O-N 3.14Å; I726-Y728 PolarHBondContact O-N 3.06Å; I726-E729 PolarHBondContact O-N 3.3Å; I726-F730 WeakPolarHBondContact O-CB 3.49Å; I726-F730 PolarHBondContact O-N 2.83Å; I726-W831 HydrophobicContact CB-CD2 4.46Å; I726-W831 HydrophobicContact CD1-CG 4.45Å; I726-W831 HydrophobicContact CG1-CB 4.16Å; I726-W831 HydrophobicContact CG1-CD2 4.35Å; I726-W831 HydrophobicContact CG1-CG 3.91Å; I726-W831 HydrophobicContact CG2-CD2 3.69Å; I726-W831 HydrophobicContact CG2-CE3 4Å; I726-W831 HydrophobicContact CG2-CG 4.12Å; I726-W831 HydrophobicContact CG2-CH2 4.27Å; I726-W831 HydrophobicContact CG2-CZ2 3.97Å; I726-W831 HydrophobicContact CG2-CZ3 4.28Å; I726-L834 HydrophobicContact CD1-CD1 4.01Å; I726-L834 HydrophobicContact CD1-CD2 4.48Å; I726-L834 HydrophobicContact CG1-CD1 4.05Å; I726-L834 HydrophobicContact CG1-CD2 4.06Å; I726-L834 HydrophobicContact CG1-CG 4.17Å
727	A	98.3	Very high	97.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-65.5	-37.3	-177.4	0	0	0	0	0	113.4	L644 V723 L724 N731 P732 L769	L644-A727 HydrophobicContact CD2-CB 3.76Å; V723-A727 WeakPolarHBondContact O-CB 3.27Å; V723-A727 PolarHBondContact O-N 2.73Å; L724-A727 PolarHBondContact O-N 3.02Å; L724-A727 VanDerWaalsContact O-N 3.13Å; A727-N731 PolarHBondContact O-N 3.22Å; A727-P732 WeakPolarHBondContact O-CD 3.37Å; A727-L769 HydrophobicContact CB-CD1 3.61Å; A727-L769 HydrophobicContact CB-CD2 4.21Å
728	Y	97.3	Very high	97.8	Very high	9 Å²	9	6 Å²	6	4%	0.035	3%	0.028	C	C	.	.	H	α-helix	trans	-69.9	-35.9	173.2	-80.1	-69.8	0	0	0	112.3	I320 L324 Q365 L410 L724 I726 N731 L769	I320-Y728 HydrophobicContact CD1-CD1 4.08Å; I320-Y728 HydrophobicContact CD1-CE1 4.08Å; I320-Y728 HydrophobicContact CG2-CD1 4.46Å; I320-Y728 HydrophobicContact CG2-CD2 3.7Å; I320-Y728 HydrophobicContact CG2-CE2 3.9Å; I320-Y728 HydrophobicContact CG2-CG 4Å; L324-Y728 HydrophobicContact CD1-CD2 3.86Å; L324-Y728 HydrophobicContact CD1-CE2 4.12Å; Q365-Y728 HydrophobicContact CG-CE1 4.25Å; Q365-Y728 PolarHBondContact OE1-OH 2.99Å; L410-Y728 HydrophobicContact CD1-CD1 3.76Å; L410-Y728 HydrophobicContact CD1-CE1 4.34Å; L724-Y728 HydrophobicContact CB-CD2 4.32Å; L724-Y728 HydrophobicContact CB-CE2 4.33Å; L724-Y728 VanDerWaalsContact O-CD2 3.25Å; L724-Y728 WeakPolarHBondContact O-CD2 3.42Å; L724-Y728 PolarHBondContact O-N 3.08Å; I726-Y728 PolarHBondContact O-N 3.06Å; Y728-N731 PolarHBondContact O-N 3.48Å; Y728-L769 HydrophobicContact CD1-CD2 3.71Å; Y728-L769 HydrophobicContact CD2-CD2 4.34Å; Y728-L769 HydrophobicContact CE1-CD2 3.77Å; Y728-L769 HydrophobicContact CE2-CD2 4.38Å; Y728-L769 HydrophobicContact CG-CD2 4.02Å
729	E	97.5	Very high	97.8	Very high	34 Å²	34	6 Å²	6	16%	0.159	3%	0.028	C	C	.	.	H	α-helix	trans	-69.2	-34.8	175	-171.3	172	-177.2	0	0	112.3	A415 P725 I726 W831 R832 S833	A415-E729 HydrophobicContact CB-CG 4.44Å; P725-E729 WeakPolarHBondContact O-CB 3.43Å; P725-E729 PolarHBondContact O-N 3.27Å; P725-E729 VanDerWaalsContact O-N 3.16Å; I726-E729 PolarHBondContact O-N 3.3Å; E729-W831 HydrophobicContact CB-CE3 4.13Å; E729-W831 HydrophobicContact CB-CZ3 4.49Å; E729-W831 HydrophobicContact CG-CE3 3.95Å; E729-W831 HydrophobicContact CG-CZ3 4.37Å; E729-W831 WeakPolarHBondContact OE2-CA 3.44Å; E729-R832 VanDerWaalsContact CD-N 3.32Å; E729-R832 WeakPolarHBondContact OE1-CB 3.33Å; E729-R832 PolarHBondContact OE1-N 2.81Å; E729-R832 PolarHBondContact OE2-N 3.06Å; E729-S833 WeakPolarHBondContact OE2-CB 3.41Å; E729-S833 PolarHBondContact OE2-N 3.18Å; E729-S833 PolarHBondContact OE2-OG 3.17Å
730	F	97.6	Very high	97.8	Very high	13 Å²	13	6 Å²	6	6%	0.057	3%	0.028	C	C	.	.	H	α-helix	trans	-76.6	-27.6	173.9	-179.8	-115.8	0	0	0	113.7	R642 I643 L644 L667 F699 I726 P732 W831	R642-F730 HydrophobicContact CB-CE1 4.01Å; R642-F730 HydrophobicContact CB-CE2 4.29Å; R642-F730 HydrophobicContact CB-CZ 3.72Å; R642-F730 WeakPolarHBondContact CD-O 3.44Å; R642-F730 HydrophobicContact CG-CE2 4.09Å; R642-F730 HydrophobicContact CG-CZ 4.01Å; R642-F730 PolarHBondContact NE-O 2.83Å; I643-F730 WeakPolarHBondContact O-CE1 3.47Å; L644-F730 HydrophobicContact CB-CE1 4.43Å; L667-F730 HydrophobicContact CB-CD1 3.84Å; L667-F730 HydrophobicContact CB-CD2 4.3Å; L667-F730 HydrophobicContact CB-CE1 3.62Å; L667-F730 HydrophobicContact CB-CE2 4.1Å; L667-F730 HydrophobicContact CB-CG 4.17Å; L667-F730 HydrophobicContact CB-CZ 3.75Å; L667-F730 HydrophobicContact CD2-CB 3.8Å; L667-F730 HydrophobicContact CD2-CD1 3.68Å; L667-F730 HydrophobicContact CD2-CD2 4.43Å; L667-F730 HydrophobicContact CD2-CE1 4.34Å; L667-F730 HydrophobicContact CD2-CG 3.73Å; L667-F730 HydrophobicContact CG-CD1 4.43Å; F699-F730 HydrophobicContact CD1-CD2 4.3Å; F699-F730 HydrophobicContact CD1-CE2 4.02Å; F699-F730 AromaticContact CE1-CD2 3.91Å; F699-F730 HydrophobicContact CE1-CD2 3.91Å; F699-F730 AromaticContact CE1-CE2 3.8Å; F699-F730 HydrophobicContact CE1-CE2 3.8Å; I726-F730 WeakPolarHBondContact O-CB 3.49Å; I726-F730 PolarHBondContact O-N 2.83Å; F730-P732 HydrophobicContact CD1-CB 3.85Å; F730-P732 HydrophobicContact CD1-CG 4.35Å; F730-P732 HydrophobicContact CE1-CB 3.9Å; F730-W831 HydrophobicContact CB-CH2 4.03Å; F730-W831 HydrophobicContact CB-CZ3 3.96Å; F730-W831 HydrophobicContact CD2-CH2 4.06Å; F730-W831 HydrophobicContact CG-CH2 4.41Å
731	N	96.2	Very high	97.9	Very high	14 Å²	14	5.9 Å²	5.9	8%	0.075	3%	0.027	C	C	.	.			trans	46.3	65.7	-178.8	-167.2	24.3	0	0	0	112.8	M409 L410 P413 R642 A727 Y728	M409-N731 WeakPolarHBondContact CE-OD1 3.47Å; L410-N731 PolarHBondContact O-ND2 2.72Å; P413-N731 HydrophobicContact CB-CB 3.57Å; P413-N731 WeakPolarHBondContact CB-ND2 3.43Å; P413-N731 HydrophobicContact CG-CB 4.31Å; P413-N731 WeakPolarHBondContact CG-ND2 3.2Å; R642-N731 PolarHBondContact NE-O 2.84Å; R642-N731 VanDerWaalsContact NE-O 3.12Å; R642-N731 PolarHBondContact NH2-O 3.34Å; A727-N731 PolarHBondContact O-N 3.22Å; Y728-N731 PolarHBondContact O-N 3.48Å
732	P	97.2	Very high	97.9	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.023	C	C	.	.			trans	-64.7	150.6	-174.3	28.2	-36.1	0	0	0	112	M409 L644 A727 F730 V735 L769 A770	M409-P732 WeakPolarHBondContact CE-O 3.01Å; L644-P732 HydrophobicContact CB-CB 3.67Å; L644-P732 HydrophobicContact CB-CG 3.87Å; L644-P732 HydrophobicContact CD2-CG 4.21Å; A727-P732 WeakPolarHBondContact O-CD 3.37Å; F730-P732 HydrophobicContact CD1-CB 3.85Å; F730-P732 HydrophobicContact CD1-CG 4.35Å; F730-P732 HydrophobicContact CE1-CB 3.9Å; P732-V735 HydrophobicContact CG-CG2 4.12Å; P732-L769 HydrophobicContact CG-CB 4.17Å; P732-A770 WeakPolarHBondContact O-CA 3.09Å; P732-A770 WeakPolarHBondContact O-CB 3.33Å; P732-A770 PolarHBondContact O-N 2.73Å
733	E	96.8	Very high	98	Very high	26 Å²	26	4.9 Å²	4.9	12%	0.121	2%	0.023	C	C	.	.	S	Bend	trans	-98.3	-13.4	179.1	-59.6	-179.9	-113.4	0	0	112.8	M409 R639 L641 R642 R773	M409-E733 HydrophobicContact CE-CG 4.31Å; R639-E733 IonicContact CZ-OE1 3.17Å; R639-E733 IonicContact CZ-OE2 2.71Å; R639-E733 VanDerWaalsContact CZ-OE2 3.22Å; R639-E733 VanDerWaalsContact NH1-CD 3.26Å; R639-E733 IonicContact NH1-OE1 2.83Å; R639-E733 PolarHBondContact NH1-OE1 3.25Å; R639-E733 IonicContact NH1-OE2 3.27Å; R639-E733 PolarHBondContact NH1-OE2 3.43Å; R639-E733 IonicContact NH2-OE2 2.73Å; R639-E733 PolarHBondContact NH2-OE2 3.2Å; L641-E733 HydrophobicContact CD1-CB 3.58Å; L641-E733 HydrophobicContact CD1-CG 4.29Å; L641-E733 HydrophobicContact CG-CB 4.04Å; R642-E733 HydrophobicContact CB-CG 4.42Å; R642-E733 IonicContact CZ-OE1 3.48Å; R642-E733 IonicContact NH1-OE1 3.48Å; R642-E733 PolarHBondContact NH1-OE1 3.28Å; R642-E733 IonicContact NH2-OE1 3.1Å; R642-E733 PolarHBondContact O-N 3.2Å; E733-R773 VanDerWaalsContact O-CZ 3.29Å; E733-R773 PolarHBondContact O-NE 3.22Å; E733-R773 PolarHBondContact O-NH2 3.26Å
734	L	98.6	Very high	97.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	137.6	171.1	174.7	65.6	0	0	0	108.2	V590 V593 A633 L641 R642 I643 L644 L736 R773 I775	V590-L734 HydrophobicContact CG2-CD2 4.46Å; V593-L734 HydrophobicContact CG1-CD1 4.01Å; A633-L734 HydrophobicContact CB-CD2 3.64Å; L641-L734 HydrophobicContact CD2-CB 4.02Å; L641-L734 HydrophobicContact CD2-CD2 4.29Å; R642-L734 PolarHBondContact O-N 3.47Å; I643-L734 WeakPolarHBondContact CA-O 3.26Å; I643-L734 HydrophobicContact CD1-CD2 4.38Å; I643-L734 HydrophobicContact CG1-CB 4.39Å; L644-L734 PolarHBondContact N-O 2.67Å; L734-L736 HydrophobicContact CD1-CD2 4.38Å; L734-L736 HydrophobicContact CD2-CD2 4.02Å; L734-L736 HydrophobicContact CG-CD2 4.08Å; L734-R773 HydrophobicContact CD1-CB 4.25Å; L734-I775 HydrophobicContact CD1-CD1 4.13Å; L734-I775 HydrophobicContact CD1-CG1 4.48Å
735	V	98.9	Very high	97.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126	169.9	-174.7	0	0	0	0	109.6	L644 V646 P732 V737 L769 A770 R773 I774 I775	L644-V735 HydrophobicContact CB-CG2 4.37Å; L644-V735 HydrophobicContact CD2-CG1 4.17Å; L644-V735 HydrophobicContact CD2-CG2 4.24Å; L644-V735 HydrophobicContact CG-CG1 4.26Å; L644-V735 CarbonylContact O-C 3.59Å; L644-V735 WeakPolarHBondContact O-CA 3.48Å; V646-V735 HydrophobicContact CG2-CG1 4.5Å; P732-V735 HydrophobicContact CG-CG2 4.12Å; V735-V737 HydrophobicContact CG1-CG2 4.25Å; V735-L769 HydrophobicContact CG2-CB 4.11Å; V735-A770 HydrophobicContact CG2-CB 3.96Å; V735-R773 PolarHBondContact N-O 3.07Å; V735-I774 HydrophobicContact CB-CB 4.44Å; V735-I774 HydrophobicContact CB-CD1 4.05Å; V735-I774 HydrophobicContact CB-CG1 3.98Å; V735-I774 HydrophobicContact CB-CG2 4.29Å; V735-I774 HydrophobicContact CG1-CD1 4.36Å; V735-I774 HydrophobicContact CG1-CG2 4.35Å; V735-I774 HydrophobicContact CG2-CD1 4.19Å; V735-I774 HydrophobicContact CG2-CG1 4.33Å; V735-I774 CarbonylContact O-C 3.58Å; V735-I774 WeakPolarHBondContact O-CA 3.25Å; V735-I775 PolarHBondContact O-N 2.84Å
736	L	98.9	Very high	97.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141.5	166.5	-54.8	-177	0	0	0	108.7	V590 V626 A629 A630 I643 L644 I645 V646 L734 I775	V590-L736 HydrophobicContact CG2-CD2 4.28Å; V626-L736 HydrophobicContact CG1-CB 3.98Å; V626-L736 HydrophobicContact CG1-CD1 4.05Å; A629-L736 HydrophobicContact CB-CD1 4.38Å; A630-L736 HydrophobicContact CB-CD1 3.78Å; I643-L736 HydrophobicContact CG2-CD1 4.16Å; I643-L736 HydrophobicContact CG2-CG 4.04Å; L644-L736 PolarHBondContact O-N 2.88Å; I645-L736 WeakPolarHBondContact CA-O 3.49Å; I645-L736 HydrophobicContact CG1-CB 4.38Å; V646-L736 PolarHBondContact N-O 3.35Å; L734-L736 HydrophobicContact CD1-CD2 4.38Å; L734-L736 HydrophobicContact CD2-CD2 4.02Å; L734-L736 HydrophobicContact CG-CD2 4.08Å; L736-I775 CarbonylContact C-O 3.5Å; L736-I775 WeakPolarHBondContact CA-O 3.5Å; L736-I775 HydrophobicContact CD2-CB 3.82Å; L736-I775 HydrophobicContact CD2-CD1 4.07Å; L736-I775 HydrophobicContact CD2-CG1 4.38Å; L736-I775 HydrophobicContact CD2-CG2 4.35Å
737	V	98.9	Very high	96.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.8	174.9	-174.3	0	0	0	0	109.2	V646 W648 V735 A739 L766 I774 I775 L776 I777	V646-V737 CarbonylContact O-C 3.54Å; V646-V737 VanDerWaalsContact O-CA 3.3Å; V646-V737 WeakPolarHBondContact O-CA 3.35Å; W648-V737 HydrophobicContact CD2-CG1 3.78Å; W648-V737 HydrophobicContact CE3-CG1 3.8Å; W648-V737 HydrophobicContact CG-CG1 4.5Å; W648-V737 HydrophobicContact CH2-CG1 3.9Å; W648-V737 HydrophobicContact CZ2-CG1 3.89Å; W648-V737 HydrophobicContact CZ3-CG1 3.86Å; V735-V737 HydrophobicContact CG1-CG2 4.25Å; V737-A739 VanDerWaalsContact C-N 3.27Å; V737-A739 HydrophobicContact CG1-CB 4.26Å; V737-A739 PolarHBondContact O-N 3.1Å; V737-L766 HydrophobicContact CG2-CD1 4.05Å; V737-I774 HydrophobicContact CG2-CG2 4.2Å; V737-I775 PolarHBondContact N-O 3.08Å; V737-L776 HydrophobicContact CB-CD1 4.05Å; V737-L776 HydrophobicContact CB-CG 4.05Å; V737-L776 HydrophobicContact CG1-CG 4.46Å; V737-L776 HydrophobicContact CG2-CD1 3.86Å; V737-L776 HydrophobicContact CG2-CG 4.38Å; V737-I777 PolarHBondContact O-N 3.48Å
738	S	98.9	Very high	96.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	90.2	161.6	-69.1	0	0	0	0	107.1	V646 D647 W648 G740	V646-S738 PolarHBondContact O-N 3.42Å; D647-S738 WeakPolarHBondContact OD1-CB 3.48Å; W648-S738 PolarHBondContact N-O 3.21Å; S738-G740 VanDerWaalsContact C-N 3.29Å; S738-G740 PolarHBondContact O-N 3.39Å
739	A	98.6	Very high	96	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	67.1	-166.9	0	0	0	0	0	110.8	W648 V737 F741 L776 I777 E779	W648-A739 HydrophobicContact CZ2-CB 4.23Å; V737-A739 VanDerWaalsContact C-N 3.27Å; V737-A739 HydrophobicContact CG1-CB 4.26Å; V737-A739 PolarHBondContact O-N 3.1Å; A739-F741 HydrophobicContact CB-CE2 4.23Å; A739-F741 HydrophobicContact CB-CZ 4.27Å; A739-F741 WeakPolarHBondContact O-CD2 3.37Å; A739-L776 HydrophobicContact CB-CB 4.13Å; A739-L776 HydrophobicContact CB-CG 4.28Å; A739-I777 WeakPolarHBondContact CA-O 3.45Å; A739-I777 WeakPolarHBondContact CB-O 3.49Å; A739-I777 PolarHBondContact N-O 3.1Å; A739-E779 PolarHBondContact O-N 2.79Å
740	G	98.2	Very high	95.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.054	C	C	.	.			trans	-77.5	127.7	172.5	0	0	0	0	0	112	W648 D649 S738	W648-G740 PolarHBondContact NE1-O 2.95Å; D649-G740 VanDerWaalsContact OD2-CA 3.24Å; D649-G740 WeakPolarHBondContact OD2-CA 3.35Å; S738-G740 VanDerWaalsContact C-N 3.29Å; S738-G740 PolarHBondContact O-N 3.39Å
741	F	98.4	Very high	95.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.067	C	C	.	.			trans	-108.6	28.1	-178.7	-64.7	-68	0	0	0	113.1	W648 A739 A744 Y759 L778 G780 I787 M791	W648-F741 HydrophobicContact CZ2-CE1 4.08Å; W648-F741 HydrophobicContact CZ2-CZ 4.28Å; W648-F741 AromaticContact NE1-CE1 3.99Å; A739-F741 HydrophobicContact CB-CE2 4.23Å; A739-F741 HydrophobicContact CB-CZ 4.27Å; A739-F741 WeakPolarHBondContact O-CD2 3.37Å; F741-A744 WeakPolarHBondContact O-CB 3.38Å; F741-Y759 AromaticContact CD1-CD1 3.99Å; F741-Y759 HydrophobicContact CD1-CD1 3.99Å; F741-Y759 HydrophobicContact CD1-CD2 4.03Å; F741-Y759 AromaticContact CD1-CE1 3.86Å; F741-Y759 HydrophobicContact CD1-CE1 3.86Å; F741-Y759 AromaticContact CD1-CE2 3.92Å; F741-Y759 HydrophobicContact CD1-CE2 3.92Å; F741-Y759 HydrophobicContact CD1-CG 4.07Å; F741-Y759 AromaticContact CD1-CZ 3.82Å; F741-Y759 AromaticContact CE1-CD1 3.85Å; F741-Y759 HydrophobicContact CE1-CD1 3.85Å; F741-Y759 HydrophobicContact CE1-CD2 4.23Å; F741-Y759 HydrophobicContact CE1-CE1 4.17Å; F741-Y759 AromaticContact CE1-CG 3.88Å; F741-Y759 HydrophobicContact CE1-CG 3.88Å; F741-L778 HydrophobicContact CD2-CD1 3.75Å; F741-L778 HydrophobicContact CE2-CD1 4.06Å; F741-G780 PolarHBondContact N-O 2.89Å; F741-I787 HydrophobicContact CB-CB 4.07Å; F741-I787 HydrophobicContact CB-CG2 3.66Å; F741-M791 HydrophobicContact CE2-CB 3.85Å; F741-M791 HydrophobicContact CE2-CE 3.89Å; F741-M791 HydrophobicContact CE2-CG 4.4Å; F741-M791 HydrophobicContact CE2-SD 3.91Å; F741-M791 HydrophobicContact CZ-CB 4.13Å; F741-M791 HydrophobicContact CZ-SD 4.03Å
742	D	96.9	Very high	95.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	-94.1	-12.2	174.5	44.2	22.1	0	0	0	113.7	V650 H651 A744 D747 G750 G781 Y782	V650-D742 WeakPolarHBondContact CB-OD1 3.36Å; V650-D742 HydrophobicContact CG1-CB 3.82Å; V650-D742 VanDerWaalsContact CG1-OD1 3.26Å; V650-D742 WeakPolarHBondContact CG1-OD1 3.46Å; V650-D742 PolarHBondContact N-OD1 3.43Å; H651-D742 IonicContact CE1-OD2 3.29Å; H651-D742 PolarHBondContact CE1-OD2 3.07Å; H651-D742 IonicContact ND1-OD2 2.72Å; H651-D742 PolarHBondContact ND1-OD2 3.39Å; D742-A744 PolarHBondContact O-N 2.99Å; D742-D747 VanDerWaalsContact CA-CG 3.42Å; D742-D747 HydrophobicContact CB-CB 4.22Å; D742-D747 VanDerWaalsContact CB-CG 3.43Å; D742-D747 WeakPolarHBondContact CB-OD1 3.39Å; D742-D747 VanDerWaalsContact O-CB 3.28Å; D742-D747 WeakPolarHBondContact O-CB 3.49Å; D742-G750 WeakPolarHBondContact O-CA 3.41Å; D742-G781 VanDerWaalsContact N-CA 3.25Å; D742-G781 PolarHBondContact OD2-N 2.94Å; D742-Y782 HydrophobicContact CB-CD2 3.97Å; D742-Y782 HydrophobicContact CB-CE2 3.95Å; D742-Y782 WeakPolarHBondContact OD2-CE2 3.26Å
743	A	97.1	Very high	95	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-68.7	-10.4	160	0	0	0	0	0	111.8	V650 Y715 C752 Q753 V754 Y759	V650-A743 HydrophobicContact CB-CB 4.04Å; V650-A743 HydrophobicContact CG2-CB 4.3Å; Y715-A743 WeakPolarHBondContact OH-CB 3.43Å; A743-C752 HydrophobicContact CB-CB 4.34Å; A743-C752 CarbonylContact O-C 3.52Å; A743-C752 WeakPolarHBondContact O-CB 3.33Å; A743-Q753 PolarHBondContact O-N 3.35Å; A743-V754 HydrophobicContact CB-CG2 4.19Å; A743-V754 WeakPolarHBondContact O-CG2 3.38Å; A743-V754 PolarHBondContact O-N 2.87Å; A743-V754 VanDerWaalsContact O-N 3.12Å; A743-Y759 VanDerWaalsContact C-OH 3.3Å; A743-Y759 WeakPolarHBondContact CB-OH 3.2Å
744	A	95.9	Very high	95	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.008	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-69.6	149.9	-176.1	0	0	0	0	0	113.5	F741 D742 G746 D747 V754 Y759	F741-A744 WeakPolarHBondContact O-CB 3.38Å; D742-A744 PolarHBondContact O-N 2.99Å; A744-G746 PolarHBondContact O-N 2.8Å; A744-G746 VanDerWaalsContact O-N 3.08Å; A744-D747 PolarHBondContact O-N 3.29Å; A744-D747 VanDerWaalsContact O-N 3.12Å; A744-V754 CarbonylContact C-O 3.6Å; A744-V754 VanDerWaalsContact CA-O 3.25Å; A744-V754 WeakPolarHBondContact CA-O 3.33Å; A744-Y759 HydrophobicContact CB-CE2 3.77Å; A744-Y759 PolarHBondContact N-OH 2.72Å
745	R	92.8	Very high	94.9	Very high	79 Å²	79	13.8 Å²	13.8	30%	0.298	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	115.6	176.3	-167.3	175.7	80.3	-148	7.9	110.3	G70 M74 V754 S786	G70-R745 PolarHBondContact O-NH2 2.77Å; G70-R745 VanDerWaalsContact O-NH2 3.11Å; M74-R745 PolarHBondContact SD-NH2 3.03Å; R745-V754 PolarHBondContact N-O 3.22Å; R745-S786 PolarHBondContact O-OG 3.45Å
746	G	87.7	Confident	94.8	Very high	16 Å²	16	14 Å²	14	17%	0.165	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	8.9	176.3	0	0	0	0	0	115.9	L67 A744 N783	L67-G746 WeakPolarHBondContact CD2-O 3.15Å; A744-G746 PolarHBondContact O-N 2.8Å; A744-G746 VanDerWaalsContact O-N 3.08Å; G746-N783 PolarHBondContact O-ND2 3.23Å
747	D	93.7	Very high	94.6	Very high	5 Å²	5	15.3 Å²	15.3	3%	0.027	9%	0.087	C	C	.	.			trans	-64.1	136.9	166.2	-170.3	-90.4	0	0	0	111.8	D742 A744 L749 G750 Y782 N783	D742-D747 VanDerWaalsContact CA-CG 3.42Å; D742-D747 HydrophobicContact CB-CB 4.22Å; D742-D747 VanDerWaalsContact CB-CG 3.43Å; D742-D747 WeakPolarHBondContact CB-OD1 3.39Å; D742-D747 VanDerWaalsContact O-CB 3.28Å; D742-D747 WeakPolarHBondContact O-CB 3.49Å; A744-D747 PolarHBondContact O-N 3.29Å; A744-D747 VanDerWaalsContact O-N 3.12Å; D747-L749 VanDerWaalsContact C-N 3.3Å; D747-L749 PolarHBondContact O-N 3.01Å; D747-L749 WeakPolarHBondContact OD1-CA 3.3Å; D747-L749 WeakPolarHBondContact OD1-CB 3.35Å; D747-L749 PolarHBondContact OD1-N 3.33Å; D747-G750 PolarHBondContact OD1-N 3.02Å; D747-Y782 WeakPolarHBondContact OD2-CA 3.43Å; D747-Y782 PolarHBondContact OD2-N 2.87Å; D747-N783 PolarHBondContact OD2-N 3.45Å
748	P	88.3	Confident	94.5	Very high	36 Å²	36	15.3 Å²	15.3	23%	0.234	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11	-178.4	29.4	-37.1	0	0	0	115.5
749	L	88.8	Confident	94.5	Very high	28 Å²	28	15.3 Å²	15.3	15%	0.147	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-52	-175.2	-52.7	-171.4	0	0	0	112.6	M56 P501 D747 Y782	M56-L749 HydrophobicContact CB-CD2 4.14Å; M56-L749 HydrophobicContact CE-CD1 3.8Å; M56-L749 HydrophobicContact CE-CD2 4.45Å; M56-L749 HydrophobicContact CG-CD2 4.06Å; M56-L749 HydrophobicContact SD-CD1 3.89Å; M56-L749 HydrophobicContact SD-CD2 3.76Å; M56-L749 HydrophobicContact SD-CG 4.45Å; P501-L749 HydrophobicContact CB-CD1 4.04Å; P501-L749 HydrophobicContact CG-CD1 3.9Å; D747-L749 VanDerWaalsContact C-N 3.3Å; D747-L749 PolarHBondContact O-N 3.01Å; D747-L749 WeakPolarHBondContact OD1-CA 3.3Å; D747-L749 WeakPolarHBondContact OD1-CB 3.35Å; D747-L749 PolarHBondContact OD1-N 3.33Å; L749-Y782 HydrophobicContact CB-CD2 4.33Å; L749-Y782 HydrophobicContact CD1-CD2 3.37Å; L749-Y782 HydrophobicContact CD1-CE2 3.5Å; L749-Y782 HydrophobicContact CD1-CG 3.98Å; L749-Y782 HydrophobicContact CG-CD2 3.86Å; L749-Y782 HydrophobicContact CG-CE2 4.37Å; L749-Y782 HydrophobicContact CG-CG 4.48Å
750	G	88.5	Confident	94.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-43.3	-172	0	0	0	0	0	114.6	V650 R673 D742 D747 C752	V650-G750 VanDerWaalsContact CG1-CA 3.44Å; R673-G750 PolarHBondContact NH1-O 3.45Å; D742-G750 WeakPolarHBondContact O-CA 3.41Å; D747-G750 PolarHBondContact OD1-N 3.02Å; G750-C752 PolarHBondContact O-N 3.03Å
751	G	88.9	Confident	94.4	Very high	33 Å²	33	15.7 Å²	15.7	34%	0.34	9%	0.089	S	C	.	.			trans	70.4	19.3	-178.3	0	0	0	0	0	114.5	R709	R709-G751 WeakPolarHBondContact CA-O 3.1Å; R709-G751 PolarHBondContact N-O 3.33Å
752	C	94.5	Very high	94.4	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.034	9%	0.089	C	C	.	.			trans	-92.9	-176.4	170.4	-72.5	0	0	0	0	110.9	V650 M710 A743 G750	V650-C752 HydrophobicContact CG2-CB 4.47Å; M710-C752 CarbonylContact O-C 3.43Å; M710-C752 WeakPolarHBondContact O-CA 3.33Å; M710-C752 VanDerWaalsContact O-CB 3.26Å; M710-C752 WeakPolarHBondContact O-CB 3.35Å; A743-C752 HydrophobicContact CB-CB 4.34Å; A743-C752 CarbonylContact O-C 3.52Å; A743-C752 WeakPolarHBondContact O-CB 3.33Å; G750-C752 PolarHBondContact O-N 3.03Å
753	Q	95.3	Very high	94.5	Very high	82 Å²	82	15.8 Å²	15.8	38%	0.383	9%	0.089	S	C	.	.	B	Isolated β-bridge	trans	-139.3	21.6	-165.8	-67.1	-172.1	-21	0	0	113.2	R709 M710 A743 S755	R709-Q753 HydrophobicContact CB-CG 4.2Å; M710-Q753 PolarHBondContact O-N 3.21Å; A743-Q753 PolarHBondContact O-N 3.35Å; Q753-S755 PolarHBondContact O-N 3.27Å
754	V	96.6	Very high	94.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-65.1	132.2	177.4	-173.4	0	0	0	0	109.9	D712 Y715 A743 A744 R745 Y759	D712-V754 VanDerWaalsContact OD1-CA 3.32Å; D712-V754 WeakPolarHBondContact OD1-CA 3.41Å; Y715-V754 HydrophobicContact CD1-CG2 4.41Å; Y715-V754 HydrophobicContact CD2-CG2 3.59Å; Y715-V754 HydrophobicContact CE1-CG2 4.37Å; Y715-V754 HydrophobicContact CE2-CG2 3.55Å; Y715-V754 HydrophobicContact CG-CG2 4.04Å; A743-V754 HydrophobicContact CB-CG2 4.19Å; A743-V754 WeakPolarHBondContact O-CG2 3.38Å; A743-V754 PolarHBondContact O-N 2.87Å; A743-V754 VanDerWaalsContact O-N 3.12Å; A744-V754 CarbonylContact C-O 3.6Å; A744-V754 VanDerWaalsContact CA-O 3.25Å; A744-V754 WeakPolarHBondContact CA-O 3.33Å; R745-V754 PolarHBondContact N-O 3.22Å; V754-Y759 HydrophobicContact CB-CE2 3.85Å; V754-Y759 HydrophobicContact CG1-CD1 4.31Å; V754-Y759 HydrophobicContact CG1-CD2 3.79Å; V754-Y759 HydrophobicContact CG1-CE1 4.09Å; V754-Y759 HydrophobicContact CG1-CE2 3.52Å; V754-Y759 HydrophobicContact CG1-CG 4.17Å
755	S	96.5	Very high	94.7	Very high	4 Å²	4	16.7 Å²	16.7	3%	0.028	9%	0.094	C	C	.	.			trans	-89.7	158.2	-179.4	64.6	0	0	0	0	112	D712 Q753 E757 G758 Y759	D712-S755 PolarHBondContact OD1-N 2.9Å; D712-S755 PolarHBondContact OD1-OG 3.12Å; D712-S755 VanDerWaalsContact OD2-CB 3.31Å; D712-S755 WeakPolarHBondContact OD2-CB 3.35Å; D712-S755 PolarHBondContact OD2-OG 2.87Å; Q753-S755 PolarHBondContact O-N 3.27Å; S755-E757 VanDerWaalsContact CB-OE2 3.31Å; S755-E757 WeakPolarHBondContact CB-OE2 3.47Å; S755-E757 PolarHBondContact O-N 3.09Å; S755-G758 WeakPolarHBondContact O-CA 3.24Å; S755-G758 PolarHBondContact O-N 2.77Å; S755-G758 PolarHBondContact OG-N 2.67Å; S755-Y759 WeakPolarHBondContact O-CD2 3.14Å; S755-Y759 PolarHBondContact O-N 2.97Å
756	P	96.3	Very high	95	Very high	4 Å²	4	13 Å²	13	3%	0.026	8%	0.08	C	C	.	.	H	α-helix	trans	-51.5	-39.4	168.2	-28	36.4	0	0	0	112.6	M74 L76 G758 Y759 A760 E789 A793	M74-P756 HydrophobicContact CE-CG 4.02Å; L76-P756 HydrophobicContact CD1-CB 4.19Å; L76-P756 HydrophobicContact CD1-CG 4.48Å; P756-G758 VanDerWaalsContact C-N 3.35Å; P756-Y759 PolarHBondContact O-N 3.02Å; P756-A760 PolarHBondContact O-N 3.27Å; P756-E789 HydrophobicContact CB-CB 4.1Å; P756-E789 HydrophobicContact CG-CB 3.69Å; P756-A793 HydrophobicContact CB-CB 4.02Å; P756-A793 VanDerWaalsContact O-CB 3.22Å; P756-A793 WeakPolarHBondContact O-CB 3.32Å
757	E	95	Very high	95.4	Very high	27 Å²	27	12.7 Å²	12.7	13%	0.126	7%	0.074	C	C	.	.	H	α-helix	trans	-62	-42.2	174.4	-60.7	79.8	-178.9	0	0	111.2	S755 A760 H761 P804 L806	S755-E757 VanDerWaalsContact CB-OE2 3.31Å; S755-E757 WeakPolarHBondContact CB-OE2 3.47Å; S755-E757 PolarHBondContact O-N 3.09Å; E757-A760 PolarHBondContact O-N 3.22Å; E757-H761 PolarHBondContact O-CD2 3.27Å; E757-H761 VanDerWaalsContact O-CD2 3.29Å; E757-H761 PolarHBondContact O-N 3.48Å; E757-H761 VanDerWaalsContact O-N 3.08Å; E757-P804 HydrophobicContact CB-CB 4.4Å; E757-P804 HydrophobicContact CB-CG 3.79Å; E757-P804 HydrophobicContact CG-CB 3.9Å; E757-P804 HydrophobicContact CG-CG 3.73Å; E757-L806 HydrophobicContact CB-CD1 3.73Å
758	G	96.9	Very high	95.5	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-54.3	-56.3	171.7	0	0	0	0	0	111.8	S755 P756 A760 H761 L762	S755-G758 WeakPolarHBondContact O-CA 3.24Å; S755-G758 PolarHBondContact O-N 2.77Å; S755-G758 PolarHBondContact OG-N 2.67Å; P756-G758 VanDerWaalsContact C-N 3.35Å; G758-A760 VanDerWaalsContact C-N 3.28Å; G758-A760 PolarHBondContact O-N 3.45Å; G758-H761 WeakPolarHBondContact O-CA 3.5Å; G758-H761 WeakPolarHBondContact O-CB 3.44Å; G758-H761 PolarHBondContact O-N 2.99Å; G758-L762 WeakPolarHBondContact O-CG 3.48Å; G758-L762 PolarHBondContact O-N 3.39Å
759	Y	98.6	Very high	95.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.2	-33.6	179	-66.8	-77.1	0	0	0	113.5	W648 F741 A743 A744 V754 S755 P756 L762 T763	W648-Y759 AromaticContact CD1-CE1 3.7Å; W648-Y759 HydrophobicContact CD2-CD1 4.01Å; W648-Y759 HydrophobicContact CD2-CE1 4.22Å; W648-Y759 AromaticContact CE2-CD1 3.62Å; W648-Y759 AromaticContact CE2-CE1 3.95Å; W648-Y759 HydrophobicContact CG-CD1 4.36Å; W648-Y759 HydrophobicContact CG-CE1 4.08Å; W648-Y759 HydrophobicContact CH2-CD1 4.49Å; W648-Y759 AromaticContact CZ2-CD1 3.9Å; W648-Y759 HydrophobicContact CZ2-CD1 3.9Å; W648-Y759 AromaticContact NE1-CD1 3.71Å; W648-Y759 AromaticContact NE1-CE1 3.57Å; F741-Y759 AromaticContact CD1-CD1 3.99Å; F741-Y759 HydrophobicContact CD1-CD1 3.99Å; F741-Y759 HydrophobicContact CD1-CD2 4.03Å; F741-Y759 AromaticContact CD1-CE1 3.86Å; F741-Y759 HydrophobicContact CD1-CE1 3.86Å; F741-Y759 AromaticContact CD1-CE2 3.92Å; F741-Y759 HydrophobicContact CD1-CE2 3.92Å; F741-Y759 HydrophobicContact CD1-CG 4.07Å; F741-Y759 AromaticContact CD1-CZ 3.82Å; F741-Y759 AromaticContact CE1-CD1 3.85Å; F741-Y759 HydrophobicContact CE1-CD1 3.85Å; F741-Y759 HydrophobicContact CE1-CD2 4.23Å; F741-Y759 HydrophobicContact CE1-CE1 4.17Å; F741-Y759 AromaticContact CE1-CG 3.88Å; F741-Y759 HydrophobicContact CE1-CG 3.88Å; A743-Y759 VanDerWaalsContact C-OH 3.3Å; A743-Y759 WeakPolarHBondContact CB-OH 3.2Å; A744-Y759 HydrophobicContact CB-CE2 3.77Å; A744-Y759 PolarHBondContact N-OH 2.72Å; V754-Y759 HydrophobicContact CB-CE2 3.85Å; V754-Y759 HydrophobicContact CG1-CD1 4.31Å; V754-Y759 HydrophobicContact CG1-CD2 3.79Å; V754-Y759 HydrophobicContact CG1-CE1 4.09Å; V754-Y759 HydrophobicContact CG1-CE2 3.52Å; V754-Y759 HydrophobicContact CG1-CG 4.17Å; S755-Y759 WeakPolarHBondContact O-CD2 3.14Å; S755-Y759 PolarHBondContact O-N 2.97Å; P756-Y759 PolarHBondContact O-N 3.02Å; Y759-L762 PolarHBondContact O-N 3.22Å; Y759-T763 WeakPolarHBondContact O-CB 3.38Å; Y759-T763 PolarHBondContact O-N 3.35Å; Y759-T763 PolarHBondContact O-OG1 2.93Å
760	A	97.8	Very high	96.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.3	-39	173	0	0	0	0	0	112.5	P756 E757 G758 H764 A793 S797 P804	P756-A760 PolarHBondContact O-N 3.27Å; E757-A760 PolarHBondContact O-N 3.22Å; G758-A760 VanDerWaalsContact C-N 3.28Å; G758-A760 PolarHBondContact O-N 3.45Å; A760-H764 WeakPolarHBondContact O-CB 3.38Å; A760-H764 PolarHBondContact O-N 3.39Å; A760-A793 HydrophobicContact CB-CB 4.02Å; A760-S797 PolarHBondContact O-OG 2.91Å; A760-S797 VanDerWaalsContact O-OG 3.08Å; A760-P804 HydrophobicContact CB-CG 4.04Å
761	H	98.2	Very high	96.4	Very high	7 Å²	7	10.2 Å²	10.2	3%	0.032	6%	0.06	C	C	.	.	H	α-helix	trans	-67.6	-43.2	172.5	-83.4	-109.7	0	0	0	112.1	G372 L716 E757 G758 T763 H764 L765 P804 L806	G372-H761 PolarHBondContact O-CE1 3.01Å; L716-H761 HydrophobicContact CD2-CB 4.47Å; E757-H761 PolarHBondContact O-CD2 3.27Å; E757-H761 VanDerWaalsContact O-CD2 3.29Å; E757-H761 PolarHBondContact O-N 3.48Å; E757-H761 VanDerWaalsContact O-N 3.08Å; G758-H761 WeakPolarHBondContact O-CA 3.5Å; G758-H761 WeakPolarHBondContact O-CB 3.44Å; G758-H761 PolarHBondContact O-N 2.99Å; H761-T763 VanDerWaalsContact C-N 3.29Å; H761-T763 PolarHBondContact O-N 3Å; H761-H764 PolarHBondContact O-N 2.72Å; H761-L765 WeakPolarHBondContact O-CB 3.37Å; H761-L765 VanDerWaalsContact O-CG 3.31Å; H761-L765 WeakPolarHBondContact O-CG 3.38Å; H761-L765 PolarHBondContact O-N 2.81Å; H761-P804 PolarHBondContact NE2-O 3.14Å; H761-L806 HydrophobicContact CB-CD2 4.38Å
762	L	98.7	Very high	96.7	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-60.1	-40.8	175.4	-56	-170.3	0	0	0	111.5	W648 Y715 L716 W719 G758 Y759 L766	W648-L762 HydrophobicContact CE3-CB 4.12Å; W648-L762 HydrophobicContact CE3-CD1 4.13Å; W648-L762 HydrophobicContact CZ3-CB 3.82Å; Y715-L762 HydrophobicContact CD1-CD1 4Å; L716-L762 HydrophobicContact CD2-CD2 3.87Å; L716-L762 HydrophobicContact CG-CD2 4.35Å; W719-L762 HydrophobicContact CD2-CD2 3.69Å; W719-L762 HydrophobicContact CE3-CD1 4.38Å; W719-L762 HydrophobicContact CE3-CD2 3.93Å; W719-L762 HydrophobicContact CG-CD2 3.99Å; W719-L762 HydrophobicContact CH2-CB 4.4Å; W719-L762 HydrophobicContact CH2-CD1 3.83Å; W719-L762 HydrophobicContact CH2-CG 4.46Å; W719-L762 HydrophobicContact CZ2-CB 3.82Å; W719-L762 HydrophobicContact CZ2-CD1 4.1Å; W719-L762 HydrophobicContact CZ2-CD2 4.32Å; W719-L762 HydrophobicContact CZ2-CG 4.27Å; W719-L762 HydrophobicContact CZ3-CD1 3.95Å; W719-L762 HydrophobicContact CZ3-CD2 4.34Å; W719-L762 PolarHBondContact NE1-O 2.95Å; G758-L762 WeakPolarHBondContact O-CG 3.48Å; G758-L762 PolarHBondContact O-N 3.39Å; Y759-L762 PolarHBondContact O-N 3.22Å; L762-L766 WeakPolarHBondContact O-CG 3.08Å; L762-L766 PolarHBondContact O-N 3.04Å
763	T	98.8	Very high	96.8	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.006	5%	0.054	C	C	.	.	H	α-helix	trans	-64.4	-51.7	175.5	-54.7	0	0	0	0	111.1	W648 Y759 H761 L765 L766 M767 C794 L798	W648-T763 WeakPolarHBondContact CH2-OG1 3.48Å; Y759-T763 WeakPolarHBondContact O-CB 3.38Å; Y759-T763 PolarHBondContact O-N 3.35Å; Y759-T763 PolarHBondContact O-OG1 2.93Å; H761-T763 VanDerWaalsContact C-N 3.29Å; H761-T763 PolarHBondContact O-N 3Å; T763-L765 PolarHBondContact O-N 3.45Å; T763-L766 PolarHBondContact O-N 2.87Å; T763-M767 HydrophobicContact CG2-SD 4.21Å; T763-M767 WeakPolarHBondContact O-CG 3.35Å; T763-M767 PolarHBondContact O-N 3.45Å; T763-C794 PolarHBondContact OG1-SG 2.86Å; T763-C794 VanDerWaalsContact OG1-SG 3.39Å; T763-L798 HydrophobicContact CG2-CD2 3.99Å; T763-L798 HydrophobicContact CG2-CG 4.11Å
764	H	98.3	Very high	96.9	Very high	13 Å²	13	7.5 Å²	7.5	6%	0.06	4%	0.036	C	C	.	.	H	α-helix	trans	-57.2	-48.2	179.3	178.5	85.2	0	0	0	111.8	H368 G372 A760 H761 L766 M767 P803	H368-H764 AromaticContact CE1-CD2 3.97Å; H368-H764 AromaticContact CE1-CE1 3.24Å; H368-H764 PolarHBondContact CE1-CE1 3.15Å; H368-H764 AromaticContact CE1-ND1 3.7Å; H368-H764 AromaticContact CE1-NE2 3.4Å; H368-H764 PolarHBondContact CE1-NE2 2.99Å; H368-H764 PolarHBondContact CE1-O 3.26Å; H368-H764 AromaticContact ND1-CE1 3.6Å; H368-H764 AromaticContact ND1-NE2 3.78Å; H368-H764 AromaticContact NE2-CD2 3.96Å; H368-H764 AromaticContact NE2-CE1 3.95Å; H368-H764 AromaticContact NE2-NE2 3.67Å; H368-H764 PolarHBondContact NE2-O 3.03Å; H368-H764 PolarHBondContact O-NE2 2.7Å; G372-H764 PolarHBondContact N-NE2 2.78Å; A760-H764 WeakPolarHBondContact O-CB 3.38Å; A760-H764 PolarHBondContact O-N 3.39Å; H761-H764 PolarHBondContact O-N 2.72Å; H764-L766 VanDerWaalsContact C-N 3.27Å; H764-L766 PolarHBondContact O-N 3.37Å; H764-M767 WeakPolarHBondContact O-CB 3.28Å; H764-M767 PolarHBondContact O-N 2.95Å; H764-P803 HydrophobicContact CB-CG 3.62Å; H764-P803 VanDerWaalsContact CG-CG 3.45Å
765	L	98.4	Very high	97	Very high	8 Å²	8	7.4 Å²	7.4	4%	0.042	4%	0.036	C	C	.	.	H	α-helix	trans	-61.6	-33.8	-179.1	-72.9	170.1	0	0	0	112.9	L328 L369 L716 L724 H761 T763	L328-L765 HydrophobicContact CD1-CD2 4.32Å; L369-L765 HydrophobicContact CD2-CD2 3.83Å; L716-L765 HydrophobicContact CD2-CD1 3.79Å; L724-L765 HydrophobicContact CD1-CB 4.05Å; L724-L765 HydrophobicContact CD1-CD1 4.28Å; L724-L765 HydrophobicContact CD1-CD2 4.32Å; L724-L765 HydrophobicContact CD1-CG 4.45Å; L724-L765 HydrophobicContact CD2-CB 4.36Å; H761-L765 WeakPolarHBondContact O-CB 3.37Å; H761-L765 VanDerWaalsContact O-CG 3.31Å; H761-L765 WeakPolarHBondContact O-CG 3.38Å; H761-L765 PolarHBondContact O-N 2.81Å; T763-L765 PolarHBondContact O-N 3.45Å
766	L	98.5	Very high	97.1	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-69.4	-32.2	173.6	-69.1	172.7	0	0	0	112.4	L644 V646 W719 L724 V737 L762 T763 H764 G768 L769 I774	L644-L766 HydrophobicContact CD2-CD2 4.45Å; V646-L766 HydrophobicContact CB-CD1 4.5Å; V646-L766 HydrophobicContact CG2-CD1 4.16Å; V646-L766 HydrophobicContact CG2-CD2 4.11Å; W719-L766 HydrophobicContact CZ2-CD1 4.18Å; L724-L766 HydrophobicContact CD2-CD2 4.25Å; V737-L766 HydrophobicContact CG2-CD1 4.05Å; L762-L766 WeakPolarHBondContact O-CG 3.08Å; L762-L766 PolarHBondContact O-N 3.04Å; T763-L766 PolarHBondContact O-N 2.87Å; H764-L766 VanDerWaalsContact C-N 3.27Å; H764-L766 PolarHBondContact O-N 3.37Å; L766-G768 PolarHBondContact O-N 3.43Å; L766-L769 HydrophobicContact CD2-CD1 3.88Å; L766-L769 VanDerWaalsContact O-CB 3.24Å; L766-L769 WeakPolarHBondContact O-CB 3.32Å; L766-L769 WeakPolarHBondContact O-CG 3.33Å; L766-L769 PolarHBondContact O-N 3.35Å; L766-I774 HydrophobicContact CB-CD1 3.59Å; L766-I774 WeakPolarHBondContact O-CD1 3.48Å
767	M	97.6	Very high	97.3	Very high	10 Å²	10	7.1 Å²	7.1	5%	0.049	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.3	-171.9	-74.7	171.6	59.5	0	0	116.5	T763 H764 L769 G772 I774 S797 L798	T763-M767 HydrophobicContact CG2-SD 4.21Å; T763-M767 WeakPolarHBondContact O-CG 3.35Å; T763-M767 PolarHBondContact O-N 3.45Å; H764-M767 WeakPolarHBondContact O-CB 3.28Å; H764-M767 PolarHBondContact O-N 2.95Å; M767-L769 VanDerWaalsContact C-N 3.33Å; M767-G772 WeakPolarHBondContact O-CA 3.48Å; M767-G772 PolarHBondContact O-N 3.29Å; M767-I774 HydrophobicContact CB-CD1 4.41Å; M767-I774 HydrophobicContact CG-CD1 3.99Å; M767-I774 HydrophobicContact CG-CG1 4.47Å; M767-S797 VanDerWaalsContact CE-O 3.28Å; M767-S797 WeakPolarHBondContact CE-O 3.46Å; M767-S797 VanDerWaalsContact SD-O 3.4Å; M767-L798 HydrophobicContact SD-CD2 4.18Å
768	G	95.3	Very high	97.5	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-29	167.2	0	0	0	0	0	112.8	Q365 H368 L766	Q365-G768 PolarHBondContact NE2-O 3.25Å; Q365-G768 VanDerWaalsContact OE1-CA 3.26Å; Q365-G768 PolarHBondContact OE1-O 3.33Å; H368-G768 PolarHBondContact NE2-N 3.22Å; L766-G768 PolarHBondContact O-N 3.43Å
769	L	96.1	Very high	97.5	Very high	3 Å²	3	5.8 Å²	5.8	2%	0.016	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	-76.6	159.9	-179	-54.9	167.2	0	0	0	111.9	L644 A727 Y728 P732 V735 L766 M767 S771 G772	L644-L769 HydrophobicContact CD2-CD1 4.06Å; A727-L769 HydrophobicContact CB-CD1 3.61Å; A727-L769 HydrophobicContact CB-CD2 4.21Å; Y728-L769 HydrophobicContact CD1-CD2 3.71Å; Y728-L769 HydrophobicContact CD2-CD2 4.34Å; Y728-L769 HydrophobicContact CE1-CD2 3.77Å; Y728-L769 HydrophobicContact CE2-CD2 4.38Å; Y728-L769 HydrophobicContact CG-CD2 4.02Å; P732-L769 HydrophobicContact CG-CB 4.17Å; V735-L769 HydrophobicContact CG2-CB 4.11Å; L766-L769 HydrophobicContact CD2-CD1 3.88Å; L766-L769 VanDerWaalsContact O-CB 3.24Å; L766-L769 WeakPolarHBondContact O-CB 3.32Å; L766-L769 WeakPolarHBondContact O-CG 3.33Å; L766-L769 PolarHBondContact O-N 3.35Å; M767-L769 VanDerWaalsContact C-N 3.33Å; L769-S771 PolarHBondContact O-N 2.95Å; L769-G772 PolarHBondContact O-N 3.02Å
770	A	95.1	Very high	97.4	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.008	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	52.9	24.6	175.1	0	0	0	0	0	115	P732 V735 G772 R773	P732-A770 WeakPolarHBondContact O-CA 3.09Å; P732-A770 WeakPolarHBondContact O-CB 3.33Å; P732-A770 PolarHBondContact O-N 2.73Å; V735-A770 HydrophobicContact CG2-CB 3.96Å; A770-G772 VanDerWaalsContact C-N 3.3Å; A770-G772 PolarHBondContact O-N 3.05Å; A770-R773 HydrophobicContact CB-CB 4.24Å; A770-R773 VanDerWaalsContact O-CB 3.26Å; A770-R773 WeakPolarHBondContact O-CB 3.27Å; A770-R773 WeakPolarHBondContact O-CG 3.24Å; A770-R773 PolarHBondContact O-N 3.45Å; A770-R773 VanDerWaalsContact O-N 3.12Å; A770-R773 PolarHBondContact O-NE 2.86Å; A770-R773 PolarHBondContact O-NH1 3.01Å; A770-R773 PolarHBondContact O-NH2 3.43Å; A770-R773 VanDerWaalsContact O-NH2 3.13Å
771	S	93.3	Very high	97.4	Very high	13 Å²	13	5.8 Å²	5.8	9%	0.091	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	45.2	51.3	-165.1	-64.1	0	0	0	0	113.8	P406 C407 M409 L599 L769 R773	P406-S771 WeakPolarHBondContact CB-O 3.34Å; C407-S771 WeakPolarHBondContact O-CA 3.3Å; C407-S771 WeakPolarHBondContact O-CB 3.24Å; C407-S771 PolarHBondContact O-OG 3.35Å; M409-S771 PolarHBondContact N-OG 3.05Å; M409-S771 VanDerWaalsContact N-OG 3.09Å; L599-S771 WeakPolarHBondContact CD1-O 3.46Å; L769-S771 PolarHBondContact O-N 2.95Å; S771-R773 PolarHBondContact O-N 3.36Å; S771-R773 VanDerWaalsContact O-N 3.13Å
772	G	94.5	Very high	97.3	Very high	2 Å²	2	6.3 Å²	6.3	2%	0.021	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	71.1	0.8	178.6	0	0	0	0	0	115.2	N600 M767 L769 A770 I774	N600-G772 WeakPolarHBondContact CB-O 3.24Å; M767-G772 WeakPolarHBondContact O-CA 3.48Å; M767-G772 PolarHBondContact O-N 3.29Å; L769-G772 PolarHBondContact O-N 3.02Å; A770-G772 VanDerWaalsContact C-N 3.3Å; A770-G772 PolarHBondContact O-N 3.05Å; G772-I774 VanDerWaalsContact C-N 3.33Å; G772-I774 PolarHBondContact O-N 3.38Å
773	R	97.1	Very high	97.2	Very high	59 Å²	59	7.2 Å²	7.2	22%	0.223	3%	0.034	C	C	.	.			trans	-72.1	85	177.9	-66.6	-173.4	-62.8	-80.2	-8.1	111	V593 L599 E733 L734 V735 A770 S771	V593-R773 HydrophobicContact CG1-CB 3.62Å; V593-R773 HydrophobicContact CG1-CG 3.74Å; L599-R773 WeakPolarHBondContact O-CA 3.43Å; E733-R773 VanDerWaalsContact O-CZ 3.29Å; E733-R773 PolarHBondContact O-NE 3.22Å; E733-R773 PolarHBondContact O-NH2 3.26Å; L734-R773 HydrophobicContact CD1-CB 4.25Å; V735-R773 PolarHBondContact N-O 3.07Å; A770-R773 HydrophobicContact CB-CB 4.24Å; A770-R773 VanDerWaalsContact O-CB 3.26Å; A770-R773 WeakPolarHBondContact O-CB 3.27Å; A770-R773 WeakPolarHBondContact O-CG 3.24Å; A770-R773 PolarHBondContact O-N 3.45Å; A770-R773 VanDerWaalsContact O-N 3.12Å; A770-R773 PolarHBondContact O-NE 2.86Å; A770-R773 PolarHBondContact O-NH1 3.01Å; A770-R773 PolarHBondContact O-NH2 3.43Å; A770-R773 VanDerWaalsContact O-NH2 3.13Å; S771-R773 PolarHBondContact O-N 3.36Å; S771-R773 VanDerWaalsContact O-N 3.13Å
774	I	98	Very high	97	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.8	-175.7	-51.7	-150.1	0	0	0	110.9	N600 G601 V735 V737 L766 M767 G772 L776 L798	N600-I774 CarbonylContact C-O 3.55Å; N600-I774 VanDerWaalsContact CA-O 3.27Å; N600-I774 WeakPolarHBondContact CA-O 3.22Å; N600-I774 VanDerWaalsContact CB-O 3.28Å; N600-I774 WeakPolarHBondContact CB-O 3.31Å; G601-I774 PolarHBondContact N-O 2.9Å; V735-I774 HydrophobicContact CB-CB 4.44Å; V735-I774 HydrophobicContact CB-CD1 4.05Å; V735-I774 HydrophobicContact CB-CG1 3.98Å; V735-I774 HydrophobicContact CB-CG2 4.29Å; V735-I774 HydrophobicContact CG1-CD1 4.36Å; V735-I774 HydrophobicContact CG1-CG2 4.35Å; V735-I774 HydrophobicContact CG2-CD1 4.19Å; V735-I774 HydrophobicContact CG2-CG1 4.33Å; V735-I774 CarbonylContact O-C 3.58Å; V735-I774 WeakPolarHBondContact O-CA 3.25Å; V737-I774 HydrophobicContact CG2-CG2 4.2Å; L766-I774 HydrophobicContact CB-CD1 3.59Å; L766-I774 WeakPolarHBondContact O-CD1 3.48Å; M767-I774 HydrophobicContact CB-CD1 4.41Å; M767-I774 HydrophobicContact CG-CD1 3.99Å; M767-I774 HydrophobicContact CG-CG1 4.47Å; G772-I774 VanDerWaalsContact C-N 3.33Å; G772-I774 PolarHBondContact O-N 3.38Å; I774-L776 HydrophobicContact CG2-CD1 3.67Å; I774-L798 HydrophobicContact CB-CD2 4.49Å
775	I	98.8	Very high	96.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.2	178.7	-62.2	174.4	0	0	0	109.7	L589 V590 V593 G601 L734 V735 L736 V737 I777	L589-I775 HydrophobicContact CB-CG2 4.48Å; L589-I775 HydrophobicContact CD2-CB 4.5Å; L589-I775 HydrophobicContact CD2-CG1 4.45Å; L589-I775 HydrophobicContact CD2-CG2 3.58Å; L589-I775 HydrophobicContact CG-CD1 4.12Å; L589-I775 HydrophobicContact CG-CG1 4.08Å; L589-I775 HydrophobicContact CG-CG2 3.92Å; V590-I775 HydrophobicContact CB-CD1 4.26Å; V590-I775 HydrophobicContact CG2-CD1 3.58Å; V593-I775 HydrophobicContact CB-CD1 4.11Å; V593-I775 HydrophobicContact CG2-CD1 3.91Å; V593-I775 HydrophobicContact CG2-CG1 3.9Å; G601-I775 WeakPolarHBondContact O-CA 3.36Å; L734-I775 HydrophobicContact CD1-CD1 4.13Å; L734-I775 HydrophobicContact CD1-CG1 4.48Å; V735-I775 PolarHBondContact O-N 2.84Å; L736-I775 CarbonylContact C-O 3.5Å; L736-I775 WeakPolarHBondContact CA-O 3.5Å; L736-I775 HydrophobicContact CD2-CB 3.82Å; L736-I775 HydrophobicContact CD2-CD1 4.07Å; L736-I775 HydrophobicContact CD2-CG1 4.38Å; L736-I775 HydrophobicContact CD2-CG2 4.35Å; V737-I775 PolarHBondContact N-O 3.08Å; I775-I777 HydrophobicContact CG2-CD1 4.2Å; I775-I777 HydrophobicContact CG2-CG1 3.84Å
776	L	98.9	Very high	96.5	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	126.5	172.9	-84.7	58.7	0	0	0	109.7	G601 A602 A603 W648 V737 A739 I774 C794 L798	G601-L776 PolarHBondContact O-N 3.26Å; A602-L776 CarbonylContact C-O 3.59Å; A602-L776 WeakPolarHBondContact CA-O 3.22Å; A602-L776 HydrophobicContact CB-CB 4.5Å; A603-L776 PolarHBondContact N-O 3.4Å; W648-L776 HydrophobicContact CH2-CD2 4.2Å; W648-L776 HydrophobicContact CZ2-CD2 4.28Å; V737-L776 HydrophobicContact CB-CD1 4.05Å; V737-L776 HydrophobicContact CB-CG 4.05Å; V737-L776 HydrophobicContact CG1-CG 4.46Å; V737-L776 HydrophobicContact CG2-CD1 3.86Å; V737-L776 HydrophobicContact CG2-CG 4.38Å; A739-L776 HydrophobicContact CB-CB 4.13Å; A739-L776 HydrophobicContact CB-CG 4.28Å; I774-L776 HydrophobicContact CG2-CD1 3.67Å; L776-C794 HydrophobicContact CD2-CB 3.47Å; L776-C794 VanDerWaalsContact CD2-CB 3.47Å; L776-L798 HydrophobicContact CD1-CD1 4.39Å; L776-L798 HydrophobicContact CD1-CD2 4.36Å; L776-L798 HydrophobicContact CD2-CD1 4.37Å
777	I	98.9	Very high	96.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.2	-178.4	-57.4	172.1	0	0	0	107.8	A586 A603 V605 V626 A629 V737 A739 I775 E779	A586-I777 HydrophobicContact CB-CD1 3.85Å; A586-I777 HydrophobicContact CB-CG1 4.32Å; A586-I777 HydrophobicContact CB-CG2 4.47Å; A603-I777 HydrophobicContact CB-CG1 4.45Å; V605-I777 HydrophobicContact CG2-CG2 3.89Å; V626-I777 HydrophobicContact CB-CD1 4.35Å; V626-I777 HydrophobicContact CG1-CD1 4.44Å; V626-I777 HydrophobicContact CG2-CB 4.04Å; V626-I777 HydrophobicContact CG2-CD1 3.92Å; V626-I777 HydrophobicContact CG2-CG2 4.05Å; A629-I777 HydrophobicContact CB-CD1 4.37Å; V737-I777 PolarHBondContact O-N 3.48Å; A739-I777 WeakPolarHBondContact CA-O 3.45Å; A739-I777 WeakPolarHBondContact CB-O 3.49Å; A739-I777 PolarHBondContact N-O 3.1Å; I775-I777 HydrophobicContact CG2-CD1 4.2Å; I775-I777 HydrophobicContact CG2-CG1 3.84Å; I777-E779 PolarHBondContact O-N 2.79Å
778	L	98.9	Very high	96.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	118.4	-175	179.5	66	0	0	0	112.1	I507 I510 A603 V604 F741 M791	I507-L778 HydrophobicContact CG2-CD2 3.82Å; I510-L778 HydrophobicContact CD1-CD1 4.07Å; I510-L778 HydrophobicContact CD1-CD2 3.52Å; I510-L778 HydrophobicContact CD1-CG 4.47Å; A603-L778 PolarHBondContact O-N 3.15Å; A603-L778 VanDerWaalsContact O-N 3.1Å; V604-L778 HydrophobicContact CG1-CD2 4.47Å; F741-L778 HydrophobicContact CD2-CD1 3.75Å; F741-L778 HydrophobicContact CE2-CD1 4.06Å; L778-M791 HydrophobicContact CB-CE 4.12Å; L778-M791 HydrophobicContact CD1-CE 4.42Å
779	E	98.8	Very high	96.4	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.055	C	C	.	.			trans	-104.7	-110.4	176.4	-69.4	-65.1	148.8	0	0	110.4	R506 P608 G609 H610 A739 I777	R506-E779 PolarHBondContact NH2-O 3.06Å; P608-E779 VanDerWaalsContact CB-OE2 3.24Å; P608-E779 WeakPolarHBondContact CB-OE2 3.49Å; G609-E779 PolarHBondContact N-OE1 3.09Å; G609-E779 PolarHBondContact N-OE2 2.84Å; H610-E779 HydrophobicContact CB-CG 4.28Å; H610-E779 IonicContact CD2-OE2 3.97Å; H610-E779 PolarHBondContact CD2-OE2 2.9Å; H610-E779 VanDerWaalsContact CD2-OE2 3.29Å; H610-E779 IonicContact CG-OE2 3.79Å; H610-E779 PolarHBondContact N-OE2 2.83Å; A739-E779 PolarHBondContact O-N 2.79Å; I777-E779 PolarHBondContact O-N 2.79Å
780	G	96.3	Very high	96.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.			trans	-78.5	-158.5	177.3	0	0	0	0	0	115.6	R506 D649 F741 Y782	R506-G780 VanDerWaalsContact NH2-C 3.28Å; R506-G780 PolarHBondContact NH2-O 2.85Å; D649-G780 WeakPolarHBondContact OD2-CA 3.47Å; D649-G780 PolarHBondContact OD2-N 3.18Å; F741-G780 PolarHBondContact N-O 2.89Å; G780-Y782 WeakPolarHBondContact CA-OH 3.49Å
781	G	96.9	Very high	96.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.			trans	89.8	120.8	-171.2	0	0	0	0	0	113.7	R506 D742	R506-G781 PolarHBondContact NE-O 2.66Å; R506-G781 PolarHBondContact NH2-O 3.07Å; R506-G781 VanDerWaalsContact NH2-O 3.1Å; D742-G781 VanDerWaalsContact N-CA 3.25Å; D742-G781 PolarHBondContact OD2-N 2.94Å
782	Y	96.2	Very high	96.9	Very high	18 Å²	18	10.4 Å²	10.4	7%	0.071	5%	0.051	C	C	.	.			trans	-131.9	-12.7	-163.3	-50.7	-75	0	0	0	113.9	P501 E502 F620 D742 D747 L749 G780 L784	P501-Y782 HydrophobicContact CB-CD1 3.87Å; P501-Y782 HydrophobicContact CB-CG 3.89Å; E502-Y782 HydrophobicContact CB-CD1 4.35Å; E502-Y782 HydrophobicContact CB-CE1 3.95Å; E502-Y782 HydrophobicContact CG-CE1 4.11Å; F620-Y782 HydrophobicContact CD2-CE1 4.13Å; F620-Y782 WeakPolarHBondContact CD2-OH 3.19Å; F620-Y782 HydrophobicContact CE2-CE1 4.03Å; F620-Y782 AromaticContact CE2-CZ 3.88Å; D742-Y782 HydrophobicContact CB-CD2 3.97Å; D742-Y782 HydrophobicContact CB-CE2 3.95Å; D742-Y782 WeakPolarHBondContact OD2-CE2 3.26Å; D747-Y782 WeakPolarHBondContact OD2-CA 3.43Å; D747-Y782 PolarHBondContact OD2-N 2.87Å; L749-Y782 HydrophobicContact CB-CD2 4.33Å; L749-Y782 HydrophobicContact CD1-CD2 3.37Å; L749-Y782 HydrophobicContact CD1-CE2 3.5Å; L749-Y782 HydrophobicContact CD1-CG 3.98Å; L749-Y782 HydrophobicContact CG-CD2 3.86Å; L749-Y782 HydrophobicContact CG-CE2 4.37Å; L749-Y782 HydrophobicContact CG-CG 4.48Å; G780-Y782 WeakPolarHBondContact CA-OH 3.49Å; Y782-L784 PolarHBondContact O-N 2.79Å
783	N	96.1	Very high	97	Very high	20 Å²	20	10.6 Å²	10.6	11%	0.107	5%	0.053	C	C	.	.			trans	-77.2	108.1	163.2	-175.1	-41.5	0	0	0	110.3	L67 G746 D747 T785 S786 I787	L67-N783 VanDerWaalsContact CD2-ND2 3.32Å; L67-N783 WeakPolarHBondContact CD2-ND2 3.42Å; G746-N783 PolarHBondContact O-ND2 3.23Å; D747-N783 PolarHBondContact OD2-N 3.45Å; N783-T785 PolarHBondContact O-N 2.89Å; N783-T785 PolarHBondContact OD1-N 3.45Å; N783-S786 PolarHBondContact O-N 3.24Å; N783-S786 VanDerWaalsContact O-N 3.15Å; N783-S786 PolarHBondContact OD1-N 2.97Å; N783-I787 WeakPolarHBondContact O-CG1 3.17Å; N783-I787 WeakPolarHBondContact O-CG2 3.31Å; N783-I787 PolarHBondContact O-N 3.33Å
784	L	94.3	Very high	97.1	Very high	50 Å²	50	7.8 Å²	7.8	26%	0.262	4%	0.043	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.2	-176.7	-64.5	-179.2	0	0	0	114.9	V503 Q505 R506 R509 Y782 I787 S788	V503-L784 HydrophobicContact CG2-CD2 4.07Å; Q505-L784 HydrophobicContact CB-CD1 3.96Å; Q505-L784 HydrophobicContact CB-CD2 4.15Å; R506-L784 HydrophobicContact CB-CD2 4.35Å; R506-L784 HydrophobicContact CG-CD2 3.86Å; R509-L784 HydrophobicContact CG-CB 4.35Å; R509-L784 HydrophobicContact CG-CD1 4.41Å; Y782-L784 PolarHBondContact O-N 2.79Å; L784-I787 HydrophobicContact CD2-CD1 4.23Å; L784-S788 WeakPolarHBondContact O-CB 3.31Å; L784-S788 PolarHBondContact O-OG 3.15Å
785	T	93	Very high	97.1	Very high	37 Å²	37	7.8 Å²	7.8	23%	0.227	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-54.3	174	-56.4	0	0	0	0	110.1	L71 N783 I787 S788 E789	L71-T785 HydrophobicContact CB-CG2 4.43Å; L71-T785 HydrophobicContact CD1-CG2 3.95Å; N783-T785 PolarHBondContact O-N 2.89Å; N783-T785 PolarHBondContact OD1-N 3.45Å; T785-I787 VanDerWaalsContact C-N 3.3Å; T785-I787 PolarHBondContact O-N 3.07Å; T785-S788 PolarHBondContact O-N 3.36Å; T785-E789 HydrophobicContact CG2-CG 4.39Å; T785-E789 PolarHBondContact O-N 2.95Å
786	S	93.1	Very high	96.9	Very high	3 Å²	3	11 Å²	11	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-58.4	-38.5	-176.5	-52.4	0	0	0	0	113	R745 N783 S788 S790	R745-S786 PolarHBondContact O-OG 3.45Å; N783-S786 PolarHBondContact O-N 3.24Å; N783-S786 VanDerWaalsContact O-N 3.15Å; N783-S786 PolarHBondContact OD1-N 2.97Å; S786-S788 VanDerWaalsContact C-N 3.34Å; S786-S790 VanDerWaalsContact O-CB 3.25Å; S786-S790 WeakPolarHBondContact O-CB 3.25Å; S786-S790 PolarHBondContact O-N 2.86Å; S786-S790 PolarHBondContact O-OG 3.49Å
787	I	97.3	Very high	96.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-68.6	-32.3	176.3	70.9	-175.8	0	0	0	113	R506 I510 F741 N783 L784 T785 M791	R506-I787 HydrophobicContact CB-CD1 3.81Å; R506-I787 HydrophobicContact CG-CD1 3.9Å; I510-I787 HydrophobicContact CD1-CB 4.4Å; I510-I787 HydrophobicContact CD1-CD1 4.12Å; I510-I787 HydrophobicContact CD1-CG1 4.09Å; I510-I787 HydrophobicContact CG1-CD1 4.37Å; I510-I787 HydrophobicContact CG1-CG1 4.01Å; F741-I787 HydrophobicContact CB-CB 4.07Å; F741-I787 HydrophobicContact CB-CG2 3.66Å; N783-I787 WeakPolarHBondContact O-CG1 3.17Å; N783-I787 WeakPolarHBondContact O-CG2 3.31Å; N783-I787 PolarHBondContact O-N 3.33Å; L784-I787 HydrophobicContact CD2-CD1 4.23Å; T785-I787 VanDerWaalsContact C-N 3.3Å; T785-I787 PolarHBondContact O-N 3.07Å; I787-M791 WeakPolarHBondContact O-CB 3.4Å; I787-M791 PolarHBondContact O-N 2.89Å
788	S	97.4	Very high	96.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-75.3	-44.7	-177.4	-58.5	0	0	0	0	110.9	R509 I510 L784 T785 S786 A792	R509-S788 VanDerWaalsContact C-OG 3.25Å; R509-S788 PolarHBondContact O-OG 3.16Å; I510-S788 PolarHBondContact N-OG 2.89Å; L784-S788 WeakPolarHBondContact O-CB 3.31Å; L784-S788 PolarHBondContact O-OG 3.15Å; T785-S788 PolarHBondContact O-N 3.36Å; S786-S788 VanDerWaalsContact C-N 3.34Å; S788-A792 WeakPolarHBondContact O-CB 3.49Å; S788-A792 PolarHBondContact O-N 2.83Å
789	E	96.1	Very high	96.4	Very high	22 Å²	22	12 Å²	12	10%	0.103	6%	0.06	C	C	.	.	H	α-helix	trans	-65.7	-42.2	173.5	-55.7	-44.4	122.9	0	0	111.4	L76 R513 P756 T785 A792 A793	L76-E789 HydrophobicContact CD1-CB 3.89Å; L76-E789 HydrophobicContact CD1-CG 4.23Å; R513-E789 IonicContact CZ-OE1 3.37Å; R513-E789 IonicContact CZ-OE2 2.86Å; R513-E789 VanDerWaalsContact CZ-OE2 3.29Å; R513-E789 VanDerWaalsContact NE-CD 3.28Å; R513-E789 IonicContact NE-OE1 3.87Å; R513-E789 PolarHBondContact NE-OE1 3.22Å; R513-E789 IonicContact NE-OE2 3.59Å; R513-E789 PolarHBondContact NE-OE2 2.66Å; R513-E789 IonicContact NH2-OE1 2.67Å; R513-E789 IonicContact NH2-OE2 3.46Å; R513-E789 PolarHBondContact NH2-OE2 3.11Å; P756-E789 HydrophobicContact CB-CB 4.1Å; P756-E789 HydrophobicContact CG-CB 3.69Å; T785-E789 HydrophobicContact CG2-CG 4.39Å; T785-E789 PolarHBondContact O-N 2.95Å; E789-A792 PolarHBondContact O-N 2.72Å; E789-A793 VanDerWaalsContact O-CB 3.31Å; E789-A793 WeakPolarHBondContact O-CB 3.14Å; E789-A793 PolarHBondContact O-N 3.29Å
790	S	98.3	Very high	96	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.007	7%	0.069	C	C	.	.	H	α-helix	trans	-67.1	-44.2	-178.1	-54	0	0	0	0	112.4	S786 A793 C794	S786-S790 VanDerWaalsContact O-CB 3.25Å; S786-S790 WeakPolarHBondContact O-CB 3.25Å; S786-S790 PolarHBondContact O-N 2.86Å; S786-S790 PolarHBondContact O-OG 3.49Å; S790-A793 PolarHBondContact O-N 3.49Å; S790-C794 PolarHBondContact O-N 3.24Å; S790-C794 PolarHBondContact O-SG 3.28Å
791	M	98.6	Very high	95.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67.1	-35.8	175.2	-173.9	62.3	104.5	0	0	112	I510 A602 V604 F741 L778 I787 C794 T795	I510-M791 HydrophobicContact CG1-CB 4.45Å; I510-M791 HydrophobicContact CG2-CB 3.94Å; I510-M791 HydrophobicContact CG2-CG 3.66Å; A602-M791 HydrophobicContact CB-SD 4.28Å; V604-M791 HydrophobicContact CG2-CE 4.41Å; F741-M791 HydrophobicContact CE2-CB 3.85Å; F741-M791 HydrophobicContact CE2-CE 3.89Å; F741-M791 HydrophobicContact CE2-CG 4.4Å; F741-M791 HydrophobicContact CE2-SD 3.91Å; F741-M791 HydrophobicContact CZ-CB 4.13Å; F741-M791 HydrophobicContact CZ-SD 4.03Å; L778-M791 HydrophobicContact CB-CE 4.12Å; L778-M791 HydrophobicContact CD1-CE 4.42Å; I787-M791 WeakPolarHBondContact O-CB 3.4Å; I787-M791 PolarHBondContact O-N 2.89Å; M791-C794 PolarHBondContact O-N 3.08Å; M791-T795 WeakPolarHBondContact O-CB 3.26Å; M791-T795 PolarHBondContact O-N 3.29Å; M791-T795 PolarHBondContact O-OG1 3.38Å
792	A	97.6	Very high	95.4	Very high	3 Å²	3	15.4 Å²	15.4	3%	0.025	9%	0.085	C	C	.	.	H	α-helix	trans	-64.9	-41	173.6	0	0	0	0	0	112.4	R513 L514 L517 L519 S788 E789 T795 R796	R513-A792 HydrophobicContact CG-CB 4.39Å; L514-A792 HydrophobicContact CD2-CB 4.01Å; L517-A792 HydrophobicContact CD1-CB 3.79Å; L519-A792 HydrophobicContact CD1-CB 3.95Å; S788-A792 WeakPolarHBondContact O-CB 3.49Å; S788-A792 PolarHBondContact O-N 2.83Å; E789-A792 PolarHBondContact O-N 2.72Å; A792-T795 PolarHBondContact O-N 3.23Å; A792-R796 PolarHBondContact O-N 3.41Å
793	A	96.7	Very high	94.9	Very high	7 Å²	7	14.7 Å²	14.7	6%	0.058	8%	0.083	C	C	.	.	H	α-helix	trans	-64.2	-42.1	175.5	0	0	0	0	0	111.6	P756 A760 E789 S790 T795 R796 S797	P756-A793 HydrophobicContact CB-CB 4.02Å; P756-A793 VanDerWaalsContact O-CB 3.22Å; P756-A793 WeakPolarHBondContact O-CB 3.32Å; A760-A793 HydrophobicContact CB-CB 4.02Å; E789-A793 VanDerWaalsContact O-CB 3.31Å; E789-A793 WeakPolarHBondContact O-CB 3.14Å; E789-A793 PolarHBondContact O-N 3.29Å; S790-A793 PolarHBondContact O-N 3.49Å; A793-T795 PolarHBondContact O-N 3.45Å; A793-R796 PolarHBondContact O-N 2.8Å; A793-S797 PolarHBondContact O-N 3.25Å; A793-S797 PolarHBondContact O-OG 2.99Å
794	C	98.4	Very high	94.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.1	-42.3	171	-62	0	0	0	0	112.4	T763 L776 S790 M791 R796 S797 L798	T763-C794 PolarHBondContact OG1-SG 2.86Å; T763-C794 VanDerWaalsContact OG1-SG 3.39Å; L776-C794 HydrophobicContact CD2-CB 3.47Å; L776-C794 VanDerWaalsContact CD2-CB 3.47Å; S790-C794 PolarHBondContact O-N 3.24Å; S790-C794 PolarHBondContact O-SG 3.28Å; M791-C794 PolarHBondContact O-N 3.08Å; C794-R796 PolarHBondContact O-N 3.09Å; C794-S797 WeakPolarHBondContact O-CB 3.32Å; C794-S797 PolarHBondContact O-N 2.89Å; C794-L798 WeakPolarHBondContact O-CG 3.5Å; C794-L798 PolarHBondContact O-N 3.3Å
795	T	97.7	Very high	94	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-68.6	-34.9	-178.3	-57.2	0	0	0	0	111.6	L514 L519 M791 A792 A793 L798 L799	L514-T795 HydrophobicContact CD2-CG2 4.03Å; L519-T795 HydrophobicContact CB-CG2 4.29Å; M791-T795 WeakPolarHBondContact O-CB 3.26Å; M791-T795 PolarHBondContact O-N 3.29Å; M791-T795 PolarHBondContact O-OG1 3.38Å; A792-T795 PolarHBondContact O-N 3.23Å; A793-T795 PolarHBondContact O-N 3.45Å; T795-L798 PolarHBondContact O-N 3.01Å; T795-L799 HydrophobicContact CG2-CD1 4.1Å; T795-L799 WeakPolarHBondContact O-CB 3.14Å; T795-L799 VanDerWaalsContact O-CG 3.3Å; T795-L799 WeakPolarHBondContact O-CG 3.34Å; T795-L799 PolarHBondContact O-N 3.17Å
796	R	94.6	Very high	93.7	Very high	66 Å²	66	16.9 Å²	16.9	25%	0.249	10%	0.095	C	C	.	.	H	α-helix	trans	-56.3	-48.3	167.6	-80.9	-176.5	167.7	165.3	-2.7	111.5	L76 L519 A792 A793 C794 L799 G800 D801	L76-R796 PolarHBondContact O-NH1 3.18Å; L76-R796 PolarHBondContact O-NH2 2.85Å; L76-R796 VanDerWaalsContact O-NH2 3.16Å; L519-R796 HydrophobicContact CD1-CG 3.84Å; L519-R796 HydrophobicContact CD2-CG 3.6Å; L519-R796 HydrophobicContact CG-CG 4.39Å; A792-R796 PolarHBondContact O-N 3.41Å; A793-R796 PolarHBondContact O-N 2.8Å; C794-R796 PolarHBondContact O-N 3.09Å; R796-L799 PolarHBondContact O-N 3.47Å; R796-G800 PolarHBondContact O-N 2.77Å; R796-D801 HydrophobicContact CB-CB 4.09Å; R796-D801 WeakPolarHBondContact CG-OD2 3.48Å; R796-D801 WeakPolarHBondContact O-CB 3.47Å; R796-D801 PolarHBondContact O-N 2.75Å
797	S	95.6	Very high	93	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-60.2	-48.2	176	-57.1	0	0	0	0	112.3	A760 M767 A793 C794 L799 G800	A760-S797 PolarHBondContact O-OG 2.91Å; A760-S797 VanDerWaalsContact O-OG 3.08Å; M767-S797 VanDerWaalsContact CE-O 3.28Å; M767-S797 WeakPolarHBondContact CE-O 3.46Å; M767-S797 VanDerWaalsContact SD-O 3.4Å; A793-S797 PolarHBondContact O-N 3.25Å; A793-S797 PolarHBondContact O-OG 2.99Å; C794-S797 WeakPolarHBondContact O-CB 3.32Å; C794-S797 PolarHBondContact O-N 2.89Å; S797-L799 VanDerWaalsContact C-N 3.29Å; S797-L799 PolarHBondContact O-N 2.78Å; S797-G800 WeakPolarHBondContact O-CA 3.49Å; S797-G800 PolarHBondContact O-N 3.12Å
798	L	96.9	Very high	92.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.2	-39.3	177.6	-68.9	176.9	0	0	0	112.6	R480 T481 N600 A602 T763 M767 I774 L776 C794 T795 G800	R480-L798 PolarHBondContact NH1-O 3.28Å; T481-L798 HydrophobicContact CG2-CB 3.88Å; T481-L798 HydrophobicContact CG2-CD1 4.45Å; T481-L798 VanDerWaalsContact OG1-C 3.25Å; T481-L798 PolarHBondContact OG1-O 3.3Å; N600-L798 HydrophobicContact CB-CD2 4.11Å; N600-L798 PolarHBondContact ND2-O 3.2Å; N600-L798 PolarHBondContact OD1-O 2.89Å; A602-L798 HydrophobicContact CB-CD1 4.29Å; T763-L798 HydrophobicContact CG2-CD2 3.99Å; T763-L798 HydrophobicContact CG2-CG 4.11Å; M767-L798 HydrophobicContact SD-CD2 4.18Å; I774-L798 HydrophobicContact CB-CD2 4.49Å; L776-L798 HydrophobicContact CD1-CD1 4.39Å; L776-L798 HydrophobicContact CD1-CD2 4.36Å; L776-L798 HydrophobicContact CD2-CD1 4.37Å; C794-L798 WeakPolarHBondContact O-CG 3.5Å; C794-L798 PolarHBondContact O-N 3.3Å; T795-L798 PolarHBondContact O-N 3.01Å; L798-G800 PolarHBondContact O-N 2.63Å
799	L	94.2	Very high	91.2	Very high	19 Å²	19	29.2 Å²	29.2	10%	0.099	17%	0.171	C	C	.	.	H	α-helix	trans	-68.9	-14.5	174.6	-76	167.5	0	0	0	113.7	T481 L519 R522 T795 R796 S797	T481-L799 HydrophobicContact CG2-CD2 4.43Å; T481-L799 HydrophobicContact CG2-CG 4.45Å; T481-L799 WeakPolarHBondContact OG1-CA 3.49Å; T481-L799 PolarHBondContact OG1-N 2.9Å; L519-L799 HydrophobicContact CB-CD1 4.24Å; L519-L799 HydrophobicContact CD2-CD1 4.03Å; R522-L799 HydrophobicContact CB-CD1 3.94Å; R522-L799 HydrophobicContact CB-CD2 3.82Å; R522-L799 WeakPolarHBondContact O-CD2 3.18Å; T795-L799 HydrophobicContact CG2-CD1 4.1Å; T795-L799 WeakPolarHBondContact O-CB 3.14Å; T795-L799 VanDerWaalsContact O-CG 3.3Å; T795-L799 WeakPolarHBondContact O-CG 3.34Å; T795-L799 PolarHBondContact O-N 3.17Å; R796-L799 PolarHBondContact O-N 3.47Å; S797-L799 VanDerWaalsContact C-N 3.29Å; S797-L799 PolarHBondContact O-N 2.78Å
800	G	91.6	Very high	90.6	Very high	19 Å²	19	31.5 Å²	31.5	20%	0.196	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	24.3	-179.3	0	0	0	0	0	114	R204 R480 R796 S797 L798	R204-G800 PolarHBondContact NH1-O 3.38Å; R480-G800 VanDerWaalsContact NH1-CA 3.34Å; R796-G800 PolarHBondContact O-N 2.77Å; S797-G800 WeakPolarHBondContact O-CA 3.49Å; S797-G800 PolarHBondContact O-N 3.12Å; L798-G800 PolarHBondContact O-N 2.63Å
801	D	91.4	Very high	90.1	Very high	13 Å²	13	33.8 Å²	33.8	7%	0.07	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-72.2	148.7	164.7	-64.6	-23.2	0	0	0	109.9	A82 R522 R796	A82-D801 WeakPolarHBondContact CB-OD1 3.49Å; R522-D801 IonicContact CZ-OD1 3.95Å; R522-D801 IonicContact CZ-OD2 2.87Å; R522-D801 IonicContact NH1-OD1 3.51Å; R522-D801 PolarHBondContact NH1-OD1 3.04Å; R522-D801 IonicContact NH1-OD2 3.5Å; R522-D801 PolarHBondContact NH1-OD2 2.8Å; R522-D801 IonicContact NH2-OD1 3.44Å; R522-D801 PolarHBondContact NH2-OD1 3.31Å; R522-D801 IonicContact NH2-OD2 2.89Å; R796-D801 HydrophobicContact CB-CB 4.09Å; R796-D801 WeakPolarHBondContact CG-OD2 3.48Å; R796-D801 WeakPolarHBondContact O-CB 3.47Å; R796-D801 PolarHBondContact O-N 2.75Å
802	P	87.8	Confident	89.8	Confident	41 Å²	41	34.2 Å²	34.2	27%	0.266	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-63.6	138.9	177.3	27.6	-33.9	0	0	0	110.5	G375	G375-P802 WeakPolarHBondContact O-CB 3.48Å
803	P	87	Confident	89.6	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.019	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-57.2	142.7	176.5	-29.3	38.8	0	0	0	112.4	H764	H764-P803 HydrophobicContact CB-CG 3.62Å; H764-P803 VanDerWaalsContact CG-CG 3.45Å
804	P	86.6	Confident	89.4	Confident	41 Å²	41	40.9 Å²	40.9	27%	0.266	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-64	157.6	179.2	28.1	-35.4	0	0	0	111.4	E757 A760 H761 L806	E757-P804 HydrophobicContact CB-CB 4.4Å; E757-P804 HydrophobicContact CB-CG 3.79Å; E757-P804 HydrophobicContact CG-CB 3.9Å; E757-P804 HydrophobicContact CG-CG 3.73Å; A760-P804 HydrophobicContact CB-CG 4.04Å; H761-P804 PolarHBondContact NE2-O 3.14Å; P804-L806 PolarHBondContact O-N 3.08Å
805	L	85.3	Confident	89.2	Confident	108 Å²	108	42.3 Å²	42.3	57%	0.565	25%	0.253	S	S	*	.			trans	-67.7	107.4	176.2	-68.7	176.1	0	0	0	110.3	T807	L805-T807 PolarHBondContact O-N 3.01Å
806	L	84.8	Confident	89	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.026	25%	0.253	C	S	.	.			trans	-88.3	103.4	-177.3	-179.3	68.4	0	0	0	111.3	Q335 D712 L716 E757 H761 P804 L808	Q335-L806 VanDerWaalsContact CD-O 3.27Å; Q335-L806 PolarHBondContact NE2-O 3.41Å; Q335-L806 PolarHBondContact OE1-O 2.9Å; D712-L806 HydrophobicContact CB-CD1 4.1Å; D712-L806 HydrophobicContact CB-CD2 4.36Å; L716-L806 HydrophobicContact CD1-CD2 3.34Å; E757-L806 HydrophobicContact CB-CD1 3.73Å; H761-L806 HydrophobicContact CB-CD2 4.38Å; P804-L806 PolarHBondContact O-N 3.08Å; L806-L808 HydrophobicContact CD2-CD2 4.01Å; L806-L808 HydrophobicContact CG-CD2 4.06Å
807	T	79.4	Confident	89	Confident	102 Å²	102	39.7 Å²	39.7	63%	0.626	24%	0.244	S	C	*	.			trans	-74.5	126.5	172.7	59.8	0	0	0	0	111	L805 P809	L805-T807 PolarHBondContact O-N 3.01Å; T807-P809 WeakPolarHBondContact O-CD 3.44Å
808	L	84.1	Confident	89	Confident	39 Å²	39	41.8 Å²	41.8	20%	0.204	26%	0.261	C	S	.	.			trans	-101.1	93.1	171.7	-60.7	-176.5	0	0	0	109.8	L332 D712 A713 L716 L806 R810	L332-L808 HydrophobicContact CB-CD1 4.09Å; D712-L808 HydrophobicContact CB-CD2 3.92Å; A713-L808 HydrophobicContact CB-CD2 4.28Å; L716-L808 HydrophobicContact CD1-CD2 4.36Å; L806-L808 HydrophobicContact CD2-CD2 4.01Å; L806-L808 HydrophobicContact CG-CD2 4.06Å; L808-R810 PolarHBondContact O-N 2.91Å
809	P	73.4	Confident	88.9	Confident	121 Å²	121	41.9 Å²	41.9	79%	0.786	26%	0.262	S	S	*	.			trans	-78.1	1.5	-173.8	33.5	-38.9	0	0	0	114.2	T807	T807-P809 WeakPolarHBondContact O-CD 3.44Å
810	R	83.1	Confident	89	Confident	69 Å²	69	41 Å²	41	26%	0.26	26%	0.257	S	S	.	.	S	Bend	trans	-159.2	156.5	178.2	60.4	166.2	-178.6	79.2	-7.6	110.3	R709 D714 L808	R709-R810 PolarHBondContact O-NH2 3.33Å; D714-R810 IonicContact OD1-NH1 3.58Å; D714-R810 PolarHBondContact OD1-NH1 2.81Å; D714-R810 IonicContact OD2-CZ 3.4Å; D714-R810 VanDerWaalsContact OD2-CZ 3.28Å; D714-R810 IonicContact OD2-NH1 2.79Å; D714-R810 PolarHBondContact OD2-NH1 2.81Å; D714-R810 IonicContact OD2-NH2 3.99Å; D714-R810 PolarHBondContact OD2-NH2 3.23Å; L808-R810 PolarHBondContact O-N 2.91Å
811	P	88.3	Confident	89.2	Confident	49 Å²	49	41.2 Å²	41.2	32%	0.318	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-66.6	172	167.4	31.7	-39.5	0	0	0	112.3	E436	E436-P811 HydrophobicContact CB-CB 3.75Å; E436-P811 HydrophobicContact CB-CG 4.41Å; E436-P811 VanDerWaalsContact OE2-CD 3.27Å; E436-P811 WeakPolarHBondContact OE2-CD 3.29Å; E436-P811 WeakPolarHBondContact OE2-CG 3.44Å
812	P	92.4	Very high	89.4	Confident	10 Å²	10	44.8 Å²	44.8	7%	0.065	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-56.6	141.9	167.2	-21.2	33.1	0	0	0	111.7	V437 A713 D714 A717 L817	V437-P812 HydrophobicContact CG2-CG 4.45Å; A713-P812 HydrophobicContact CB-CG 4.33Å; D714-P812 WeakPolarHBondContact OD1-CA 3.38Å; A717-P812 HydrophobicContact CB-CB 4.16Å; A717-P812 HydrophobicContact CB-CG 3.89Å; P812-L817 HydrophobicContact CB-CD1 4.38Å; P812-L817 HydrophobicContact CB-CD2 3.77Å; P812-L817 HydrophobicContact CB-CG 3.94Å; P812-L817 HydrophobicContact CG-CD2 4.32Å
813	L	93.1	Very high	89.9	Confident	51 Å²	51	42.8 Å²	42.8	27%	0.267	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-68.3	141.9	176.4	-59.3	-175.7	0	0	0	110.1	M710 D714 G815 A816 L817	M710-L813 HydrophobicContact SD-CD1 3.89Å; D714-L813 PolarHBondContact OD1-N 3.24Å; L813-G815 PolarHBondContact O-N 2.68Å; L813-G815 VanDerWaalsContact O-N 3.12Å; L813-A816 HydrophobicContact CB-CB 4.27Å; L813-A816 WeakPolarHBondContact O-CA 3.32Å; L813-A816 WeakPolarHBondContact O-CB 3.47Å; L813-A816 PolarHBondContact O-N 3.29Å; L813-L817 PolarHBondContact O-N 2.67Å
814	S	92.1	Very high	90.3	Very high	99 Å²	99	44 Å²	44	69%	0.692	27%	0.265	S	S	*	.	H	α-helix	trans	-57	-30.4	175.8	54.2	0	0	0	0	113.5	A818	S814-A818 VanDerWaalsContact O-CB 3.31Å; S814-A818 WeakPolarHBondContact O-CB 3.34Å; S814-A818 PolarHBondContact O-N 2.97Å
815	G	93.3	Very high	90.7	Very high	30 Å²	30	45.4 Å²	45.4	31%	0.309	27%	0.267	S	S	.	.	H	α-helix	trans	-71.4	-32	171.8	0	0	0	0	0	114.1	L813 S819	L813-G815 PolarHBondContact O-N 2.68Å; L813-G815 VanDerWaalsContact O-N 3.12Å; G815-S819 PolarHBondContact O-N 3.39Å; G815-S819 VanDerWaalsContact O-N 3.16Å; G815-S819 PolarHBondContact O-OG 2.88Å
816	A	94.9	Very high	91.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.9	-48.9	171.7	0	0	0	0	0	110.3	W705 M710 D714 L813 A818 S819 I820	W705-A816 HydrophobicContact CE3-CB 4.11Å; W705-A816 HydrophobicContact CH2-CB 4.42Å; W705-A816 HydrophobicContact CZ3-CB 3.64Å; M710-A816 HydrophobicContact CE-CB 4.11Å; M710-A816 HydrophobicContact SD-CB 3.88Å; D714-A816 HydrophobicContact CB-CB 3.76Å; D714-A816 WeakPolarHBondContact OD1-CB 3.16Å; L813-A816 HydrophobicContact CB-CB 4.27Å; L813-A816 WeakPolarHBondContact O-CA 3.32Å; L813-A816 WeakPolarHBondContact O-CB 3.47Å; L813-A816 PolarHBondContact O-N 3.29Å; A816-A818 VanDerWaalsContact C-N 3.32Å; A816-A818 PolarHBondContact O-N 3.11Å; A816-S819 PolarHBondContact O-N 3.3Å; A816-S819 VanDerWaalsContact O-N 3.09Å; A816-I820 WeakPolarHBondContact O-CG1 3.35Å; A816-I820 PolarHBondContact O-N 3.08Å
817	L	94.1	Very high	91.7	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.058	25%	0.246	C	C	.	.	H	α-helix	trans	-56.6	-43.6	176	-65.6	178.8	0	0	0	112	P812 L813 S819 I820 T821	P812-L817 HydrophobicContact CB-CD1 4.38Å; P812-L817 HydrophobicContact CB-CD2 3.77Å; P812-L817 HydrophobicContact CB-CG 3.94Å; P812-L817 HydrophobicContact CG-CD2 4.32Å; L813-L817 PolarHBondContact O-N 2.67Å; L817-S819 PolarHBondContact O-N 3.41Å; L817-I820 PolarHBondContact O-N 3Å; L817-T821 WeakPolarHBondContact O-CB 3.47Å; L817-T821 PolarHBondContact O-N 3.31Å; L817-T821 PolarHBondContact O-OG1 3.04Å; L817-T821 VanDerWaalsContact O-OG1 3.12Å
818	A	94.3	Very high	92.4	Very high	47 Å²	47	38.9 Å²	38.9	39%	0.388	23%	0.226	S	C	.	.	H	α-helix	trans	-62.1	-42.3	175.2	0	0	0	0	0	112.8	S814 A816 T821 E822	S814-A818 VanDerWaalsContact O-CB 3.31Å; S814-A818 WeakPolarHBondContact O-CB 3.34Å; S814-A818 PolarHBondContact O-N 2.97Å; A816-A818 VanDerWaalsContact C-N 3.32Å; A816-A818 PolarHBondContact O-N 3.11Å; A818-T821 PolarHBondContact O-N 3.04Å; A818-E822 WeakPolarHBondContact O-CB 3.43Å; A818-E822 PolarHBondContact O-N 3.43Å
819	S	96.6	Very high	92.9	Very high	3 Å²	3	44 Å²	44	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-38.8	178.2	-50.3	0	0	0	0	111.5	A704 G815 A816 L817 T823	A704-S819 PolarHBondContact O-OG 2.96Å; G815-S819 PolarHBondContact O-N 3.39Å; G815-S819 VanDerWaalsContact O-N 3.16Å; G815-S819 PolarHBondContact O-OG 2.88Å; A816-S819 PolarHBondContact O-N 3.3Å; A816-S819 VanDerWaalsContact O-N 3.09Å; L817-S819 PolarHBondContact O-N 3.41Å; S819-T823 PolarHBondContact O-N 3.05Å; S819-T823 VanDerWaalsContact O-N 3.13Å; S819-T823 PolarHBondContact O-OG1 3.42Å
820	I	96.3	Very high	93.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-47.7	173.2	-66.5	160.8	0	0	0	110.5	V703 W705 A717 A718 R721 A816 L817 E822 T823 I824	V703-I820 HydrophobicContact CG1-CG1 4.27Å; W705-I820 HydrophobicContact CH2-CD1 4.1Å; W705-I820 HydrophobicContact CH2-CG1 4.13Å; W705-I820 HydrophobicContact CZ3-CD1 4.14Å; W705-I820 HydrophobicContact CZ3-CG1 3.98Å; A717-I820 HydrophobicContact CB-CD1 3.85Å; A718-I820 HydrophobicContact CB-CD1 4.04Å; A718-I820 HydrophobicContact CB-CG1 4.06Å; R721-I820 HydrophobicContact CB-CG2 4.11Å; A816-I820 WeakPolarHBondContact O-CG1 3.35Å; A816-I820 PolarHBondContact O-N 3.08Å; L817-I820 PolarHBondContact O-N 3Å; I820-E822 PolarHBondContact O-N 3.39Å; I820-T823 PolarHBondContact O-N 2.62Å; I820-I824 HydrophobicContact CG2-CD1 3.77Å; I820-I824 HydrophobicContact CG2-CG1 4.41Å; I820-I824 WeakPolarHBondContact O-CG1 3.49Å; I820-I824 PolarHBondContact O-N 3.42Å
821	T	94.8	Very high	94.5	Very high	24 Å²	24	39.7 Å²	39.7	15%	0.147	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-43.1	179.2	-65.8	0	0	0	0	112.2	L817 A818 T823 I824 Q825	L817-T821 WeakPolarHBondContact O-CB 3.47Å; L817-T821 PolarHBondContact O-N 3.31Å; L817-T821 PolarHBondContact O-OG1 3.04Å; L817-T821 VanDerWaalsContact O-OG1 3.12Å; A818-T821 PolarHBondContact O-N 3.04Å; T821-T823 PolarHBondContact O-N 2.84Å; T821-I824 PolarHBondContact O-N 2.94Å; T821-Q825 HydrophobicContact CG2-CG 4.46Å; T821-Q825 WeakPolarHBondContact O-CG 3.42Å; T821-Q825 PolarHBondContact O-N 3.33Å
822	E	95.7	Very high	94.8	Very high	87 Å²	87	43.1 Å²	43.1	41%	0.407	22%	0.218	S	C	.	.	H	α-helix	trans	-59.6	-45.9	175.4	-173.8	-177.1	-119.6	0	0	111.1	S688 A818 I820 I824 Q825 V826	S688-E822 PolarHBondContact OG-OE2 3.38Å; A818-E822 WeakPolarHBondContact O-CB 3.43Å; A818-E822 PolarHBondContact O-N 3.43Å; I820-E822 PolarHBondContact O-N 3.39Å; E822-I824 PolarHBondContact O-N 3.31Å; E822-Q825 PolarHBondContact O-N 3.07Å; E822-V826 WeakPolarHBondContact O-CG2 3.36Å; E822-V826 PolarHBondContact O-N 3.47Å; E822-V826 VanDerWaalsContact O-N 3.07Å
823	T	97.4	Very high	94.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-43.1	177	-47.1	0	0	0	0	111.4	V701 N702 V703 L722 S819 I820 T821 V826 H827	V701-T823 HydrophobicContact CG1-CG2 3.94Å; N702-T823 PolarHBondContact O-OG1 2.93Å; V703-T823 HydrophobicContact CG2-CG2 4.49Å; L722-T823 HydrophobicContact CD1-CG2 4.06Å; L722-T823 HydrophobicContact CD2-CG2 3.75Å; S819-T823 PolarHBondContact O-N 3.05Å; S819-T823 VanDerWaalsContact O-N 3.13Å; S819-T823 PolarHBondContact O-OG1 3.42Å; I820-T823 PolarHBondContact O-N 2.62Å; T821-T823 PolarHBondContact O-N 2.84Å; T823-V826 PolarHBondContact O-N 3.31Å; T823-H827 WeakPolarHBondContact O-CB 3.37Å; T823-H827 PolarHBondContact O-CD2 2.87Å; T823-H827 PolarHBondContact O-N 2.93Å
824	I	96	Very high	94.9	Very high	29 Å²	29	40.7 Å²	40.7	15%	0.149	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-44.8	174.6	-72	171.6	0	0	0	111.3	R721 L722 I820 T821 E822 V826 H827 R828 L834	R721-I824 HydrophobicContact CB-CD1 4.2Å; L722-I824 HydrophobicContact CD1-CG1 3.7Å; I820-I824 HydrophobicContact CG2-CD1 3.77Å; I820-I824 HydrophobicContact CG2-CG1 4.41Å; I820-I824 WeakPolarHBondContact O-CG1 3.49Å; I820-I824 PolarHBondContact O-N 3.42Å; T821-I824 PolarHBondContact O-N 2.94Å; E822-I824 PolarHBondContact O-N 3.31Å; I824-V826 VanDerWaalsContact C-N 3.29Å; I824-V826 PolarHBondContact O-N 3.48Å; I824-H827 PolarHBondContact O-N 3.33Å; I824-R828 VanDerWaalsContact O-CB 3.26Å; I824-R828 WeakPolarHBondContact O-CB 3.47Å; I824-R828 WeakPolarHBondContact O-CG 3.32Å; I824-R828 PolarHBondContact O-N 3.08Å; I824-L834 HydrophobicContact CG2-CB 4.44Å
825	Q	95.1	Very high	94.8	Very high	69 Å²	69	40.7 Å²	40.7	32%	0.322	19%	0.19	S	C	.	.	H	α-helix	trans	-60.9	-37.6	178.7	-76.4	175.2	-17.1	0	0	112.3	T821 E822	T821-Q825 HydrophobicContact CG2-CG 4.46Å; T821-Q825 WeakPolarHBondContact O-CG 3.42Å; T821-Q825 PolarHBondContact O-N 3.33Å; E822-Q825 PolarHBondContact O-N 3.07Å
826	V	95.7	Very high	94.4	Very high	24 Å²	24	39.6 Å²	39.6	15%	0.145	18%	0.177	C	C	.	.	H	α-helix	trans	-67.8	-47	174.1	172.3	0	0	0	0	111.3	S688 I691 E822 T823 I824 R829	S688-V826 WeakPolarHBondContact O-CG1 3.41Å; I691-V826 HydrophobicContact CG2-CG1 3.28Å; E822-V826 WeakPolarHBondContact O-CG2 3.36Å; E822-V826 PolarHBondContact O-N 3.47Å; E822-V826 VanDerWaalsContact O-N 3.07Å; T823-V826 PolarHBondContact O-N 3.31Å; I824-V826 VanDerWaalsContact C-N 3.29Å; I824-V826 PolarHBondContact O-N 3.48Å; V826-R829 PolarHBondContact O-NE 2.86Å; V826-R829 PolarHBondContact O-NH2 3.12Å; V826-R829 VanDerWaalsContact O-NH2 3.17Å
827	H	96.6	Very high	93.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-88.7	-21	-168.2	-80.9	-80.2	0	0	0	116.5	T700 T823 I824 R829 Y830 W831 L834	T700-H827 PolarHBondContact O-CE1 3.12Å; T700-H827 PolarHBondContact O-NE2 2.76Å; T823-H827 WeakPolarHBondContact O-CB 3.37Å; T823-H827 PolarHBondContact O-CD2 2.87Å; T823-H827 PolarHBondContact O-N 2.93Å; I824-H827 PolarHBondContact O-N 3.33Å; H827-R829 PolarHBondContact O-N 3.2Å; H827-Y830 PolarHBondContact O-N 3.37Å; H827-W831 AromaticContact ND1-CD1 3.93Å; H827-W831 AromaticContact ND1-NE1 3.97Å; H827-W831 PolarHBondContact O-N 3.28Å; H827-W831 VanDerWaalsContact O-N 3.13Å; H827-L834 HydrophobicContact CB-CD1 3.57Å
828	R	93.9	Very high	91.8	Very high	55 Å²	55	45.5 Å²	45.5	21%	0.208	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-18.1	-177.9	66.9	-179.3	-176	172.7	3.8	115.3	E443 D448 I824 L834 R835 M837	E443-R828 IonicContact OE2-NH1 3.96Å; D448-R828 IonicContact OD2-NH2 2.79Å; D448-R828 PolarHBondContact OD2-NH2 3.27Å; I824-R828 VanDerWaalsContact O-CB 3.26Å; I824-R828 WeakPolarHBondContact O-CB 3.47Å; I824-R828 WeakPolarHBondContact O-CG 3.32Å; I824-R828 PolarHBondContact O-N 3.08Å; R828-L834 HydrophobicContact CB-CB 4.22Å; R828-R835 HydrophobicContact CB-CG 4.42Å; R828-R835 WeakPolarHBondContact O-CG 3.22Å; R828-R835 PolarHBondContact O-NE 2.67Å; R828-R835 PolarHBondContact O-NH2 2.98Å; R828-M837 VanDerWaalsContact NH1-CE 3.33Å
829	R	93.3	Very high	90.1	Very high	146 Å²	146	46.4 Å²	46.4	55%	0.551	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-37.8	174.4	81.1	-169.5	95.7	-174.1	2.1	112.3	V826 H827 R835	V826-R829 PolarHBondContact O-NE 2.86Å; V826-R829 PolarHBondContact O-NH2 3.12Å; V826-R829 VanDerWaalsContact O-NH2 3.17Å; H827-R829 PolarHBondContact O-N 3.2Å; R829-R835 PolarHBondContact O-NH2 3.38Å
830	Y	95	Very high	87.6	Confident	82 Å²	82	52.2 Å²	52.2	32%	0.322	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-46.5	-177.5	-54.5	-67.2	0	0	0	111.5	I691 T697 H827	I691-Y830 HydrophobicContact CD1-CE2 3.89Å; I691-Y830 VanDerWaalsContact CD1-OH 3.28Å; I691-Y830 WeakPolarHBondContact CD1-OH 3.43Å; T697-Y830 HydrophobicContact CG2-CE1 4Å; H827-Y830 PolarHBondContact O-N 3.37Å
831	W	96.1	Very high	84.5	Confident	17 Å²	17	59.8 Å²	59.8	6%	0.064	27%	0.271	C	S	.	.			trans	-102.3	110.8	-176.7	-56.1	104.3	0	0	0	109.4	L667 G698 F699 I726 E729 F730 H827 S833 L834	L667-W831 HydrophobicContact CD1-CZ2 4.07Å; G698-W831 PolarHBondContact O-NE1 3.42Å; F699-W831 HydrophobicContact CD1-CH2 4.05Å; F699-W831 HydrophobicContact CD1-CZ2 4.03Å; F699-W831 AromaticContact CE1-CH2 3.75Å; F699-W831 HydrophobicContact CE1-CH2 3.75Å; F699-W831 HydrophobicContact CE1-CZ2 4.11Å; F699-W831 HydrophobicContact CG-CZ2 4.4Å; F699-W831 HydrophobicContact CZ-CH2 4.28Å; I726-W831 HydrophobicContact CB-CD2 4.46Å; I726-W831 HydrophobicContact CD1-CG 4.45Å; I726-W831 HydrophobicContact CG1-CB 4.16Å; I726-W831 HydrophobicContact CG1-CD2 4.35Å; I726-W831 HydrophobicContact CG1-CG 3.91Å; I726-W831 HydrophobicContact CG2-CD2 3.69Å; I726-W831 HydrophobicContact CG2-CE3 4Å; I726-W831 HydrophobicContact CG2-CG 4.12Å; I726-W831 HydrophobicContact CG2-CH2 4.27Å; I726-W831 HydrophobicContact CG2-CZ2 3.97Å; I726-W831 HydrophobicContact CG2-CZ3 4.28Å; E729-W831 HydrophobicContact CB-CE3 4.13Å; E729-W831 HydrophobicContact CB-CZ3 4.49Å; E729-W831 HydrophobicContact CG-CE3 3.95Å; E729-W831 HydrophobicContact CG-CZ3 4.37Å; E729-W831 WeakPolarHBondContact OE2-CA 3.44Å; F730-W831 HydrophobicContact CB-CH2 4.03Å; F730-W831 HydrophobicContact CB-CZ3 3.96Å; F730-W831 HydrophobicContact CD2-CH2 4.06Å; F730-W831 HydrophobicContact CG-CH2 4.41Å; H827-W831 AromaticContact ND1-CD1 3.93Å; H827-W831 AromaticContact ND1-NE1 3.97Å; H827-W831 PolarHBondContact O-N 3.28Å; H827-W831 VanDerWaalsContact O-N 3.13Å; W831-S833 PolarHBondContact O-N 2.98Å; W831-L834 HydrophobicContact CB-CD1 3.99Å; W831-L834 HydrophobicContact CB-CG 4.03Å; W831-L834 PolarHBondContact O-N 3.1Å
832	R	94.1	Very high	81.5	Confident	122 Å²	122	68.9 Å²	68.9	46%	0.46	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-66.5	-26.2	-177.9	-66.1	177	-179.9	-169.5	1.7	111.2	A415 Q421 E461 E729 L834 R835	A415-R832 HydrophobicContact CB-CB 3.37Å; Q421-R832 PolarHBondContact NE2-O 2.8Å; E461-R832 IonicContact OE1-CZ 2.77Å; E461-R832 IonicContact OE1-NH1 2.8Å; E461-R832 PolarHBondContact OE1-NH1 3.37Å; E729-R832 VanDerWaalsContact CD-N 3.32Å; E729-R832 WeakPolarHBondContact OE1-CB 3.33Å; E729-R832 PolarHBondContact OE1-N 2.81Å; E729-R832 PolarHBondContact OE2-N 3.06Å; R832-L834 VanDerWaalsContact C-N 3.3Å; R832-L834 PolarHBondContact O-N 3.29Å; R832-R835 WeakPolarHBondContact O-CB 3.48Å; R832-R835 WeakPolarHBondContact O-CG 3.42Å; R832-R835 PolarHBondContact O-N 2.85Å
833	S	93.8	Very high	78.3	Confident	4 Å²	4	72.9 Å²	72.9	3%	0.028	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-60.7	-33.2	176.6	56	0	0	0	0	113.8	P725 E729 W831 R835	P725-S833 PolarHBondContact O-OG 3.29Å; E729-S833 WeakPolarHBondContact OE2-CB 3.41Å; E729-S833 PolarHBondContact OE2-N 3.18Å; E729-S833 PolarHBondContact OE2-OG 3.17Å; W831-S833 PolarHBondContact O-N 2.98Å; S833-R835 PolarHBondContact O-N 2.72Å; S833-R835 VanDerWaalsContact O-N 3.17Å
834	L	94.3	Very high	74.9	Confident	6 Å²	6	75.5 Å²	75.5	3%	0.031	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-75.4	1.7	-179.9	-57.7	-179.6	0	0	0	114.2	L722 P725 I726 I824 H827 R828 W831 R832 V836	L722-L834 HydrophobicContact CD1-CD1 3.92Å; L722-L834 HydrophobicContact CD1-CD2 4.02Å; P725-L834 HydrophobicContact CB-CD2 4.12Å; I726-L834 HydrophobicContact CD1-CD1 4.01Å; I726-L834 HydrophobicContact CD1-CD2 4.48Å; I726-L834 HydrophobicContact CG1-CD1 4.05Å; I726-L834 HydrophobicContact CG1-CD2 4.06Å; I726-L834 HydrophobicContact CG1-CG 4.17Å; I824-L834 HydrophobicContact CG2-CB 4.44Å; H827-L834 HydrophobicContact CB-CD1 3.57Å; R828-L834 HydrophobicContact CB-CB 4.22Å; W831-L834 HydrophobicContact CB-CD1 3.99Å; W831-L834 HydrophobicContact CB-CG 4.03Å; W831-L834 PolarHBondContact O-N 3.1Å; R832-L834 VanDerWaalsContact C-N 3.3Å; R832-L834 PolarHBondContact O-N 3.29Å; L834-V836 VanDerWaalsContact C-N 3.26Å; L834-V836 PolarHBondContact O-N 2.84Å
835	R	90.4	Very high	71.6	Confident	99 Å²	99	80.3 Å²	80.3	37%	0.374	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-86	12.5	-173.6	-60.9	-179.5	-176.4	-172.3	4.1	114.3	R828 R829 R832 S833 M837	R828-R835 HydrophobicContact CB-CG 4.42Å; R828-R835 WeakPolarHBondContact O-CG 3.22Å; R828-R835 PolarHBondContact O-NE 2.67Å; R828-R835 PolarHBondContact O-NH2 2.98Å; R829-R835 PolarHBondContact O-NH2 3.38Å; R832-R835 WeakPolarHBondContact O-CB 3.48Å; R832-R835 WeakPolarHBondContact O-CG 3.42Å; R832-R835 PolarHBondContact O-N 2.85Å; S833-R835 PolarHBondContact O-N 2.72Å; S833-R835 VanDerWaalsContact O-N 3.17Å; R835-M837 PolarHBondContact O-N 2.77Å
836	V	83.3	Confident	68.4	Low	7 Å²	7	82.1 Å²	82.1	4%	0.042	40%	0.402	C	S	.	.			trans	-72.9	74.2	169.9	-175.7	0	0	0	0	109.5	Q421 V424 L428 R440 L834	Q421-V836 HydrophobicContact CG-CG2 4.23Å; V424-V836 HydrophobicContact CB-CG1 4.32Å; V424-V836 HydrophobicContact CG1-CG1 3.69Å; L428-V836 HydrophobicContact CD1-CG1 3.56Å; R440-V836 PolarHBondContact NH1-O 3.25Å; R440-V836 PolarHBondContact NH2-O 3.02Å; L834-V836 VanDerWaalsContact C-N 3.26Å; L834-V836 PolarHBondContact O-N 2.84Å
837	M	70.5	Confident	65.2	Low	46 Å²	46	85.9 Å²	85.9	23%	0.227	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-76.6	167	-179.7	-57.8	-52.3	-48.7	0	0	111.9	S425 E443 R828 R835	S425-M837 VanDerWaalsContact CB-O 3.29Å; S425-M837 WeakPolarHBondContact CB-O 3.47Å; S425-M837 PolarHBondContact OG-O 3.03Å; E443-M837 VanDerWaalsContact CD-CE 3.41Å; E443-M837 WeakPolarHBondContact OE1-CE 3.46Å; E443-M837 WeakPolarHBondContact OE2-CE 3.48Å; R828-M837 VanDerWaalsContact NH1-CE 3.33Å; R835-M837 PolarHBondContact O-N 2.77Å
838	K	65.3	Low	62	Low	88 Å²	88	90.8 Å²	90.8	38%	0.383	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-71.2	145	162.9	-172.1	156.9	-173.3	160	0	109.4	E429 E432 E840	E429-K838 WeakPolarHBondContact OE1-CE 3.41Å; E429-K838 IonicContact OE1-NZ 3.52Å; E432-K838 IonicContact OE2-NZ 3.76Å; E432-K838 PolarHBondContact OE2-NZ 3.04Å; K838-E840 PolarHBondContact O-N 2.95Å
839	V	57	Low	58.7	Low	66 Å²	66	97 Å²	97	40%	0.4	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-73.1	124.4	176.8	-172.1	0	0	0	0	108.5
840	E	44.3	Very low	55.6	Low	125 Å²	125	96.7 Å²	96.7	58%	0.584	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-79	137.4	167.4	-70.9	-167	143.7	0	0	110	K838 R842	K838-E840 PolarHBondContact O-N 2.95Å; E840-R842 VanDerWaalsContact C-N 3.29Å; E840-R842 PolarHBondContact O-N 3.3Å; E840-R842 IonicContact OE2-NE 2.82Å; E840-R842 IonicContact OE2-NH2 2.69Å
841	D	32.8	Very low	52.2	Low	160 Å²	160	99.2 Å²	99.2	86%	0.856	53%	0.525	S	S	*	.			trans	-59.4	85.4	170.6	-97.5	-36.8	0	0	0	111.6	E843	D841-E843 VanDerWaalsContact C-N 3.3Å
842	R	30.7	Very low	48.9	Very low	214 Å²	214	103.8 Å²	103.8	81%	0.808	55%	0.554	S	S	*	*			trans	-93.3	18.2	168.2	-67.3	-158.1	176.4	-161.1	1.9	113.5	E840 G844	E840-R842 VanDerWaalsContact C-N 3.29Å; E840-R842 PolarHBondContact O-N 3.3Å; E840-R842 IonicContact OE2-NE 2.82Å; E840-R842 IonicContact OE2-NH2 2.69Å; R842-G844 PolarHBondContact O-N 2.95Å
843	E	28.7	Very low	45.7	Very low	172 Å²	172	107.6 Å²	107.6	80%	0.804	57%	0.574	S	S	*	*			trans	-69.4	56.7	155.7	-76.3	-106.2	129	0	0	111.2	D841	D841-E843 VanDerWaalsContact C-N 3.3Å
844	G	26.2	Very low	42.6	Very low	55 Å²	55	117.3 Å²	117.3	57%	0.567	62%	0.616	S	S	*	*			trans	-60.6	128.2	156.2	0	0	0	0	0	107.8	R842 S846	R842-G844 PolarHBondContact O-N 2.95Å; G844-S846 PolarHBondContact O-N 3.1Å
845	P	27.1	Very low	39.3	Very low	129 Å²	129	121.6 Å²	121.6	84%	0.838	65%	0.652	S	S	*	*			trans	-56.9	116.9	-162.7	19.5	-33	0	0	0	111.7	S847	P845-S847 PolarHBondContact O-N 3.32Å
846	S	26.7	Very low	36.7	Very low	108 Å²	108	122.7 Å²	122.7	76%	0.755	67%	0.672	S	S	*	*			trans	-66.7	91.3	-173.8	55	0	0	0	0	110.6	G844 S848	G844-S846 PolarHBondContact O-N 3.1Å; S846-S848 PolarHBondContact O-N 3.21Å
847	S	28.7	Very low	33.9	Very low	102 Å²	102	131 Å²	131	71%	0.713	71%	0.71	S	S	*	*			trans	-58.2	109	-178.6	-176.1	0	0	0	0	110	P845 K849	P845-S847 PolarHBondContact O-N 3.32Å; S847-K849 VanDerWaalsContact C-N 3.33Å; S847-K849 PolarHBondContact O-N 3.24Å
848	S	29	Very low	31.9	Very low	104 Å²	104	134.5 Å²	134.5	73%	0.727	74%	0.737	S	S	*	*			trans	-66	88.2	-177.3	46	0	0	0	0	110.7	S846 L850	S846-S848 PolarHBondContact O-N 3.21Å; S848-L850 PolarHBondContact O-N 3.26Å
849	K	26.5	Very low	30	Very low	185 Å²	185	134.6 Å²	134.6	80%	0.804	75%	0.754	S	S	*	*			trans	-67.9	82.1	176	-78.6	179.1	179.3	167.9	0	110.5	S847 V851	S847-K849 VanDerWaalsContact C-N 3.33Å; S847-K849 PolarHBondContact O-N 3.24Å; K849-V851 PolarHBondContact O-N 2.75Å; K849-V851 VanDerWaalsContact O-N 3.09Å
850	L	27	Very low	28.5	Very low	139 Å²	139	141 Å²	141	73%	0.728	78%	0.777	S	S	*	*			trans	-52.6	112.5	173.8	-132.8	80.8	0	0	0	110.1	S848 T852	S848-L850 PolarHBondContact O-N 3.26Å; L850-T852 VanDerWaalsContact C-N 3.27Å; L850-T852 HydrophobicContact CD2-CG2 4.45Å; L850-T852 PolarHBondContact O-N 3.04Å
851	V	24.6	Very low	27.9	Very low	136 Å²	136	140.2 Å²	140.2	82%	0.824	78%	0.782	S	S	*	*			trans	-72.9	82.3	179.8	-178	0	0	0	0	109.9	K849 K853	K849-V851 PolarHBondContact O-N 2.75Å; K849-V851 VanDerWaalsContact O-N 3.09Å; V851-K853 PolarHBondContact O-N 2.91Å
852	T	25.5	Very low	27.4	Very low	112 Å²	112	144.2 Å²	144.2	69%	0.687	79%	0.786	S	S	*	*			trans	-90.8	98.6	172.4	43.1	0	0	0	0	110	L850 K854	L850-T852 VanDerWaalsContact C-N 3.27Å; L850-T852 HydrophobicContact CD2-CG2 4.45Å; L850-T852 PolarHBondContact O-N 3.04Å; T852-K854 PolarHBondContact O-N 2.66Å
853	K	28.2	Very low	27.1	Very low	202 Å²	202	142.1 Å²	142.1	88%	0.878	79%	0.789	S	S	*	*			trans	-56.8	126	172.6	-73	179.9	177	175	0	110	V851	V851-K853 PolarHBondContact O-N 2.91Å
854	K	27.5	Very low	26.9	Very low	208 Å²	208	138.3 Å²	138.3	90%	0.904	79%	0.787	S	S	*	*			trans	-134.4	147.3	169.5	-127.8	173	-175.1	174	0	110.6	T852	T852-K854 PolarHBondContact O-N 2.66Å
855	A	26.1	Very low	26.7	Very low	96 Å²	96	144.1 Å²	144.1	79%	0.793	80%	0.8	S	S	*	*			trans	-74.2	152.3	-166.8	0	0	0	0	0	113.7
856	P	34.1	Very low	26.6	Very low	123 Å²	123	148 Å²	148	80%	0.799	80%	0.798	S	S	*	*			trans	-87.2	140.5	-174.2	34.2	-35.3	0	0	0	113.8
857	Q	24.8	Very low	26.4	Very low	180 Å²	180	149.2 Å²	149.2	84%	0.841	79%	0.793	S	S	*	*			trans	-167.1	166.8	160.4	-84.9	-131	17.2	0	0	108.6
858	P	29.6	Very low	26.1	Very low	120 Å²	120	149.5 Å²	149.5	78%	0.779	79%	0.79	S	S	*	*				-115.4	-175.1	-83.6	28.3	-6.7	0	0	0	112.8
859	A	25.3	Very low	25.8	Very low	91 Å²	91	150.4 Å²	150.4	75%	0.752	79%	0.792	S	S	*	*			trans	-95.1	165.2	-166.3	0	0	0	0	0	116.6
860	K	24.3	Very low	25.8	Very low	201 Å²	201	152.6 Å²	152.6	87%	0.874	80%	0.795	S	S	*	*			trans	87.7	154.2	167.2	-60.8	-179.1	179.2	177.3	0	117.2
861	P	32	Very low	25.8	Very low	107 Å²	107	153.3 Å²	153.3	70%	0.695	79%	0.794	S	S	*	*			cis	-145.2	156	-33.4	37.5	-20	0	0	0	117.4
862	R	23	Very low	25.8	Very low	245 Å²	245	154 Å²	154	93%	0.925	79%	0.787	S	S	*	*			trans	65.7	152.7	143.6	-74.7	-176.9	174.4	-171.6	-2.9	122.5
863	L	24.3	Very low	25.8	Very low	169 Å²	169	157.5 Å²	157.5	89%	0.885	79%	0.792	S	S	*	*			trans	-55.5	150.1	174.2	-78.5	60.5	0	0	0	114.6
864	A	23.6	Very low	25.8	Very low	92 Å²	92	154.2 Å²	154.2	76%	0.76	79%	0.789	S	S	*	*				-166.8	151.2	107.1	0	0	0	0	0	114
865	E	23.7	Very low	25.7	Very low	178 Å²	178	151.6 Å²	151.6	83%	0.832	78%	0.784	S	S	*	*			trans	51.2	103.6	154	-63.4	-169.5	137.6	0	0	123.8
866	R	23.6	Very low	25.7	Very low	211 Å²	211	155.3 Å²	155.3	80%	0.796	79%	0.785	S	S	*	*				60.9	133.8	105.3	-139.5	-172	-173.8	-179.4	1.4	121.6
867	M	22.1	Very low	25.4	Very low	133 Å²	133	154.7 Å²	154.7	66%	0.655	79%	0.79	S	S	*	*			trans	95.6	95.5	136.1	-109.6	166.7	141	0	0	122.5
868	T	22.7	Very low	25.4	Very low	107 Å²	107	149.9 Å²	149.9	66%	0.656	79%	0.789	S	S	*	*				85.3	147.7	118.6	48.3	0	0	0	0	125.2
869	T	24.1	Very low	25.3	Very low	123 Å²	123	153.7 Å²	153.7	76%	0.755	80%	0.798	S	S	*	*			trans	72.5	126.1	156.1	44.3	0	0	0	0	118.5
870	R	26.3	Very low	25.2	Very low	231 Å²	231	152.8 Å²	152.8	87%	0.872	80%	0.798	S	S	*	*			cis	94.2	105.1	27.6	-177.9	-148.4	-171	-179.5	6.8	114.1
871	E	25.7	Very low	25.4	Very low	154 Å²	154	152.3 Å²	152.3	72%	0.72	80%	0.796	S	S	*	*			trans	-161.7	157.1	152.7	-74.8	-148.8	148.5	0	0	107.9
872	K	25.3	Very low	25	Very low	152 Å²	152	153.7 Å²	153.7	66%	0.661	80%	0.796	S	S	*	*			cis	-160.3	157.4	-8.5	-118.3	173	-169.3	143.5	0	110.8
873	K	26.2	Very low	25.1	Very low	185 Å²	185	147.8 Å²	147.8	80%	0.804	79%	0.787	S	S	*	*			trans	16.6	128.4	143.6	-72.4	-175	176.4	-173.3	0	120.3
874	V	26.7	Very low	25.4	Very low	133 Å²	133	145 Å²	145	81%	0.806	78%	0.782	S	S	*	*				93.9	145	58.6	155.7	0	0	0	0	114.5
875	L	26.2	Very low	25.5	Very low	152 Å²	152	144.9 Å²	144.9	80%	0.796	78%	0.781	S	S	*	*			trans	119.9	166.9	163.7	-92.2	159.1	0	0	0	118
876	E	25.8	Very low	25.7	Very low	174 Å²	174	141.2 Å²	141.2	81%	0.813	78%	0.775	S	S	*	*			trans	-123.6	175.6	-145.7	-60.3	167	105.3	0	0	115.8
877	A	28.1	Very low	26	Very low	110 Å²	110	140.6 Å²	140.6	91%	0.909	78%	0.779	S	S	*	*			trans	93.8	136.1	144.6	0	0	0	0	0	120.7
878	G	24.9	Very low	26.1	Very low	79 Å²	79	137.3 Å²	137.3	81%	0.814	78%	0.778	S	S	*	*			trans	166.1	118.9	170.6	0	0	0	0	0	113.3
879	M	26.8	Very low	26.6	Very low	200 Å²	200	140.3 Å²	140.3	99%	0.985	79%	0.785	S	S	*	*			trans	-104.4	150.1	175.2	-106.7	103.2	72.7	0	0	111.5
880	G	24.9	Very low	27	Very low	72 Å²	72	142.4 Å²	142.4	74%	0.742	79%	0.786	S	S	*	*			trans	137.4	96.8	142	0	0	0	0	0	120.7
881	K	26.7	Very low	27	Very low	191 Å²	191	136.3 Å²	136.3	83%	0.83	78%	0.779	S	S	*	*			trans	48.6	115.2	135.8	-75.1	-170	167.1	-172	0	123.8
882	I	25.4	Very low	27.1	Very low	137 Å²	137	135.3 Å²	135.3	70%	0.703	78%	0.784	S	S	*	*				80.1	143.7	117	-64.9	171	0	0	0	121.5
883	T	25.1	Very low	28.2	Very low	121 Å²	121	134 Å²	134	74%	0.742	79%	0.791	S	S	*	*			trans	76.4	101	163.2	37.2	0	0	0	0	122.8
884	S	29.2	Very low	28.3	Very low	109 Å²	109	128.6 Å²	128.6	76%	0.762	79%	0.788	S	S	*	*				33.9	131.7	123.9	61.2	0	0	0	0	123.4
885	A	27.2	Very low	28.5	Very low	91 Å²	91	131 Å²	131	75%	0.752	79%	0.79	S	S	*	*				169.7	121.2	107.9	0	0	0	0	0	117.2
886	S	27.6	Very low	28.6	Very low	100 Å²	100	129 Å²	129	70%	0.699	78%	0.784	S	S	*	*				57.6	146.9	126.5	75.3	0	0	0	0	128.3
887	F	28.4	Very low	28.8	Very low	199 Å²	199	129.8 Å²	129.8	87%	0.873	79%	0.785	S	S	*	*			trans	91.1	147.5	138.5	-82.7	-59.1	0	0	0	125
888	G	25.5	Very low	29	Very low	63 Å²	63	128.7 Å²	128.7	65%	0.649	77%	0.771	S	S	*	*			trans	118.4	107.4	171.4	0	0	0	0	0	113.8
889	E	33.2	Very low	29.4	Very low	171 Å²	171	131.3 Å²	131.3	80%	0.799	76%	0.762	S	S	*	*			cis	82.5	140.4	45.3	-62.2	-176.7	156.5	0	0	113.9
890	E	31.8	Very low	29.4	Very low	166 Å²	166	132.1 Å²	132.1	78%	0.776	75%	0.754	S	S	*	*			cis	-164	177.4	2.3	-137.1	-158.6	155.5	0	0	114.2
891	S	27.5	Very low	29.6	Very low	104 Å²	104	132.6 Å²	132.6	73%	0.727	75%	0.751	S	S	*	*			trans	92	155.3	144.9	78	0	0	0	0	123.7
892	T	27.4	Very low	29.6	Very low	132 Å²	132	130 Å²	130	81%	0.81	75%	0.751	S	S	*	*			trans	-142.7	-156.7	-176	59.4	0	0	0	0	108.3
893	P	47.2	Very low	29.7	Very low	125 Å²	125	129.6 Å²	129.6	81%	0.812	75%	0.754	S	S	*	*			cis	-134.3	-168.3	-16.5	42	-23.7	0	0	0	114.4
894	G	29.3	Very low	29.9	Very low	72 Å²	72	127.8 Å²	127.8	74%	0.742	75%	0.752	S	S	*	*			trans	166.8	72.9	161.7	0	0	0	0	0	125
895	Q	29.8	Very low	29.9	Very low	182 Å²	182	130.5 Å²	130.5	85%	0.85	76%	0.757	S	S	*	*			trans	55.1	114	132.6	-68.6	-167.7	-27.9	0	0	127.4
896	T	28.6	Very low	29.9	Very low	110 Å²	110	133 Å²	133	68%	0.675	76%	0.763	S	S	*	*				78.4	120.9	118.5	65.6	0	0	0	0	127.3
897	K	31.4	Very low	30.1	Very low	192 Å²	192	137.1 Å²	137.1	84%	0.835	77%	0.771	S	S	*	*				92.3	117.1	115.1	-84.1	-166.8	173.3	-166.8	0	126.7
898	S	30.5	Very low	30	Very low	87 Å²	87	134.5 Å²	134.5	61%	0.608	77%	0.766	S	S	*	*				98.1	122.8	116	-120	0	0	0	0	124.9
899	E	33.5	Very low	30.1	Very low	134 Å²	134	139.8 Å²	139.8	63%	0.626	77%	0.774	S	S	*	*				82.9	124.8	128.1	-89	177.4	108.2	0	0	126.2
900	R	27.5	Very low	30	Very low	217 Å²	217	136.9 Å²	136.9	82%	0.819	77%	0.773	S	S	*	*			trans	69.5	147.4	135.7	-80.4	175.4	153.3	135.9	-10.9	122.3
901	A	29	Very low	29.7	Very low	82 Å²	82	134.9 Å²	134.9	68%	0.678	78%	0.777	S	S	*	*			cis	172.8	170.3	-44.7	0	0	0	0	0	111.7
902	V	27.5	Very low	29.8	Very low	136 Å²	136	139 Å²	139	82%	0.824	79%	0.785	S	S	*	*			trans	81.3	140.7	153.8	-139.5	0	0	0	0	122
903	V	27.5	Very low	29.8	Very low	128 Å²	128	137.4 Å²	137.4	78%	0.776	79%	0.785	S	S	*	*			trans	104.1	92.1	151.8	-165.8	0	0	0	0	120.6
904	A	27.9	Very low	28.9	Very low	84 Å²	84	135.5 Å²	135.5	69%	0.694	78%	0.779	S	S	*	*				51.9	122	125.5	0	0	0	0	0	125.2
905	L	29.3	Very low	28.8	Very low	165 Å²	165	138.9 Å²	138.9	86%	0.864	79%	0.786	S	S	*	*				37.9	126.9	120.8	-61.9	166.6	0	0	0	121.8
906	T	27	Very low	28.5	Very low	145 Å²	145	134.3 Å²	134.3	89%	0.89	79%	0.788	S	S	*	*				-165.5	167.7	111.1	13.2	0	0	0	0	111.8
907	Q	31.8	Very low	28.3	Very low	186 Å²	186	133 Å²	133	87%	0.869	80%	0.796	S	S	*	*			trans	-92.9	159.3	-178	-56.8	157.3	-71.6	0	0	111.9
908	D	26.4	Very low	28.1	Very low	144 Å²	144	128.2 Å²	128.2	77%	0.77	79%	0.792	S	S	*	*			trans	-157.7	-176.4	135.5	-137.7	-23.9	0	0	0	113.6
909	Q	28.9	Very low	27.9	Very low	174 Å²	174	130.6 Å²	130.6	81%	0.813	80%	0.803	S	S	*	*			trans	-98.9	175.8	-149.6	-72.9	159	66.5	0	0	118.9
910	S	30.3	Very low	27.5	Very low	110 Å²	110	132.3 Å²	132.3	77%	0.769	82%	0.816	S	S	*	*			trans	-59.3	160.1	177.6	53.8	0	0	0	0	117.7
911	S	26.5	Very low	27.4	Very low	124 Å²	124	126.4 Å²	126.4	87%	0.867	81%	0.814	S	S	*	*			trans	-160.6	169	142.9	37.4	0	0	0	0	113
912	E	29.1	Very low	27.5	Very low	191 Å²	191	131.4 Å²	131.4	89%	0.893	82%	0.823	S	S	*	*			trans	-95.4	160.7	-154.1	-57.2	164	110	0	0	116.5
913	A	28	Very low	27.6	Very low	97 Å²	97	130.9 Å²	130.9	80%	0.802	82%	0.82	S	S	*	*			trans	27.9	136.9	141.1	0	0	0	0	0	122.6
914	A	27.6	Very low	27.9	Very low	85 Å²	85	132.2 Å²	132.2	70%	0.702	82%	0.821	S	S	*	*				161.3	139.1	100.3	0	0	0	0	0	115.6
915	T	26.2	Very low	28	Very low	143 Å²	143	132.8 Å²	132.8	88%	0.877	82%	0.821	S	S	*	*			trans	51.3	122.3	147.2	56	0	0	0	0	122.7
916	G	24.5	Very low	28.4	Very low	86 Å²	86	133.5 Å²	133.5	89%	0.887	82%	0.819	S	S	*	*				119.4	103	117.2	0	0	0	0	0	118.8
917	G	24.3	Very low	28.6	Very low	83 Å²	83	130.9 Å²	130.9	86%	0.856	81%	0.812	S	S	*	*			trans	175.1	120.2	166.3	0	0	0	0	0	111.8
918	A	27	Very low	28.7	Very low	91 Å²	91	126.5 Å²	126.5	75%	0.752	81%	0.808	S	S	*	*			trans	-126.4	-179.9	-171.3	0	0	0	0	0	113
919	T	25.5	Very low	29	Very low	137 Å²	137	126.3 Å²	126.3	84%	0.84	81%	0.812	S	S	*	*			trans	80	146.7	-176.2	74	0	0	0	0	115
920	L	26.9	Very low	29	Very low	170 Å²	170	121.6 Å²	121.6	89%	0.89	81%	0.81	S	S	*	*			cis	-130	168.6	10.7	-156.3	73.1	0	0	0	111.9
921	A	24.1	Very low	29	Very low	94 Å²	94	120.2 Å²	120.2	78%	0.777	81%	0.813	S	S	*	*			trans	-105	166.2	-162	0	0	0	0	0	116.9
922	Q	31.8	Very low	29.3	Very low	186 Å²	186	118.8 Å²	118.8	87%	0.869	81%	0.809	S	S	*	*			trans	-85	151.9	166.8	-58.6	163.1	-57.8	0	0	111.9
923	T	29.4	Very low	29.4	Very low	126 Å²	126	117.8 Å²	117.8	77%	0.773	81%	0.806	S	S	*	*			trans	-169	112.2	162.6	-66.8	0	0	0	0	106.1
924	I	33.8	Very low	29.5	Very low	155 Å²	155	120.4 Å²	120.4	80%	0.795	81%	0.806	S	S	*	*				85.4	131.4	65.1	-66.3	165.2	0	0	0	114.6
925	S	30.2	Very low	29.4	Very low	97 Å²	97	120 Å²	120	68%	0.678	81%	0.809	S	S	*	*			trans	-165.6	105.1	155.9	-176.8	0	0	0	0	106.8
926	E	37	Very low	29.6	Very low	179 Å²	179	122 Å²	122	84%	0.836	81%	0.809	S	S	*	*				82.1	145.7	90.5	-73.2	172.6	155.4	0	0	114.1
927	A	31.4	Very low	29.8	Very low	90 Å²	90	125 Å²	125	74%	0.744	81%	0.81	S	S	*	*			cis	-144.9	150	2.7	0	0	0	0	0	108.9
928	A	33.1	Very low	30	Very low	94 Å²	94	127.2 Å²	127.2	78%	0.777	81%	0.808	S	S	*	*				65.8	136.4	59	0	0	0	0	0	113.4
929	V	34.3	Very low	30.1	Very low	141 Å²	141	127.8 Å²	127.8	86%	0.855	81%	0.806	S	S	*	*			cis	-153.5	157.4	19.9	177.1	0	0	0	0	108.9
930	G	28.9	Very low	30.4	Very low	75 Å²	75	130.1 Å²	130.1	77%	0.773	81%	0.807	S	S	*	*			cis	129.2	91.5	-9	0	0	0	0	0	117.3
931	G	30.3	Very low	30.6	Very low	80 Å²	80	130.9 Å²	130.9	83%	0.825	81%	0.806	S	S	*	*			trans	157.2	162.6	163.2	0	0	0	0	0	118.2
932	A	32.7	Very low	30.8	Very low	95 Å²	95	130.3 Å²	130.3	79%	0.785	80%	0.801	S	S	*	*			cis	-170	167.9	-10.4	0	0	0	0	0	113.4
933	M	29.3	Very low	30.6	Very low	169 Å²	169	128.6 Å²	128.6	83%	0.833	80%	0.803	S	S	*	*			trans	72.3	155.5	164	-65.4	-162.3	79	0	0	119.8
934	L	31.2	Very low	30.5	Very low	153 Å²	153	126 Å²	126	80%	0.801	80%	0.802	S	S	*	*			cis	-176.9	140.6	-41.6	-126.5	170.8	0	0	0	109
935	G	26	Very low	30.1	Very low	75 Å²	75	122.3 Å²	122.3	77%	0.773	80%	0.801	S	S	*	*			trans	165.8	125.1	167	0	0	0	0	0	115.3
936	Q	30.5	Very low	29.9	Very low	185 Å²	185	122.5 Å²	122.5	86%	0.864	81%	0.809	S	S	*	*			trans	-112.7	147.8	171.5	-57.8	167.5	-58.7	0	0	109.4
937	T	27.6	Very low	29.5	Very low	150 Å²	150	120.3 Å²	120.3	92%	0.92	81%	0.808	S	S	*	*			trans	-165	169.6	139.1	15.3	0	0	0	0	111.9
938	T	28.8	Very low	30.2	Very low	130 Å²	130	121 Å²	121	80%	0.798	81%	0.805	S	S	*	*			trans	-111.9	-165.1	-164.4	51.6	0	0	0	0	113.7
939	S	29.7	Very low	29.8	Very low	102 Å²	102	122.3 Å²	122.3	71%	0.713	80%	0.799	S	S	*	*			trans	73.4	129.4	-176.1	59.3	0	0	0	0	115.1
940	E	31.3	Very low	29.6	Very low	187 Å²	187	122.9 Å²	122.9	87%	0.874	79%	0.792	S	S	*	*			cis	92.9	132.2	31.1	-69.6	-176.3	136.5	0	0	115.5
941	E	31.1	Very low	29.4	Very low	186 Å²	186	125 Å²	125	87%	0.869	79%	0.79	S	S	*	*			trans	63	110.6	160.5	-63.8	-149.4	135.4	0	0	122.4
942	A	27.8	Very low	29.2	Very low	81 Å²	81	127.5 Å²	127.5	67%	0.669	79%	0.79	S	S	*	*				87.1	121.9	114.2	0	0	0	0	0	122.1
943	V	28	Very low	28.9	Very low	151 Å²	151	129.1 Å²	129.1	92%	0.915	80%	0.795	S	S	*	*			trans	60.7	126.7	133.7	179.5	0	0	0	0	118.8
944	G	26.6	Very low	29	Very low	72 Å²	72	128.4 Å²	128.4	74%	0.742	79%	0.79	S	S	*	*			trans	159.1	37.1	147.6	0	0	0	0	0	123.2
945	G	25.8	Very low	29	Very low	76 Å²	76	128.3 Å²	128.3	78%	0.784	78%	0.783	S	S	*	*			trans	62	168.8	143.7	0	0	0	0	0	122.6
946	A	27.4	Very low	29.1	Very low	101 Å²	101	131 Å²	131	84%	0.835	78%	0.784	S	S	*	*			trans	64.3	109.7	163.5	0	0	0	0	0	120
947	T	27.7	Very low	29	Very low	133 Å²	133	129.1 Å²	129.1	82%	0.816	79%	0.785	S	S	*	*			trans	-54.3	171.7	145.1	47.9	0	0	0	0	111.9
948	P	45.6	Very low	29	Very low	104 Å²	104	125.4 Å²	125.4	68%	0.675	78%	0.777	S	S	*	*			cis	-147	-171.2	24.7	44.8	-24.1	0	0	0	118.5
949	D	26.3	Very low	29	Very low	122 Å²	122	122.8 Å²	122.8	65%	0.652	78%	0.776	S	S	*	*			trans	80.3	117.1	146.2	-76.8	-27.4	0	0	0	123.3
950	Q	28.6	Very low	28.9	Very low	153 Å²	153	122.9 Å²	122.9	72%	0.715	78%	0.783	S	S	*	*				41	120.3	122.5	-53	176.5	58.2	0	0	117.8
951	T	25.9	Very low	28.7	Very low	120 Å²	120	119.7 Å²	119.7	74%	0.736	78%	0.776	S	S	*	*				-171.9	152.8	71.5	24.6	0	0	0	0	113.1
952	T	26.1	Very low	28.7	Very low	132 Å²	132	117.6 Å²	117.6	81%	0.81	77%	0.77	S	S	*	*			trans	16.3	128.6	151.6	61	0	0	0	0	120.6
953	S	26.3	Very low	28.6	Very low	129 Å²	129	119.3 Å²	119.3	90%	0.902	77%	0.768	S	S	*	*			trans	-126.4	138.9	142.1	66.8	0	0	0	0	109.9
954	E	30.5	Very low	28.8	Very low	154 Å²	154	119.4 Å²	119.4	72%	0.72	76%	0.758	S	S	*	*			trans	-130.5	155.7	-175.9	-156.2	-149.1	173	0	0	109.3
955	K	31.3	Very low	28.8	Very low	151 Å²	151	123 Å²	123	66%	0.657	77%	0.766	S	S	*	*			trans	76.1	97.5	166.2	-66.7	-179.7	169.6	65.5	0	120.4
956	T	29.1	Very low	29.1	Very low	131 Å²	131	124.8 Å²	124.8	80%	0.804	76%	0.762	S	S	*	*				64	113	107.3	-49.4	0	0	0	0	121.4
957	V	28	Very low	29.1	Very low	146 Å²	146	125.1 Å²	125.1	89%	0.885	76%	0.758	S	S	*	*			trans	-140.1	137.6	139.2	-168.4	0	0	0	0	104.1
958	G	27.5	Very low	29.5	Very low	72 Å²	72	126.9 Å²	126.9	74%	0.742	76%	0.757	S	S	*	*			cis	105.9	115.9	28.6	0	0	0	0	0	108.6
959	G	27.6	Very low	28.8	Very low	75 Å²	75	129 Å²	129	77%	0.773	76%	0.763	S	S	*	*			cis	-179.1	-131.9	2.9	0	0	0	0	0	109.7
960	A	28.5	Very low	29.1	Very low	104 Å²	104	127.2 Å²	127.2	86%	0.86	77%	0.765	S	S	*	*			trans	88.7	160.9	176.4	0	0	0	0	0	117.9
961	T	27.5	Very low	29.3	Very low	120 Å²	120	126.9 Å²	126.9	74%	0.736	77%	0.773	S	S	*	*			trans	-161.4	173.4	-149.1	49.3	0	0	0	0	113
962	L	30	Very low	29.3	Very low	143 Å²	143	124.9 Å²	124.9	75%	0.749	78%	0.777	S	S	*	*			trans	81.7	144.1	170.7	-54	139	0	0	0	113.9
963	D	27.2	Very low	29.5	Very low	117 Å²	117	122.7 Å²	122.7	63%	0.626	78%	0.78	S	S	*	*			cis	-144.2	137.2	1.4	-102.6	-30.8	0	0	0	109.4
964	Q	31	Very low	29.5	Very low	152 Å²	152	121.4 Å²	121.4	71%	0.71	78%	0.778	S	S	*	*				69.9	123.3	80.8	-72.5	-165	88.6	0	0	118.4
965	T	27.6	Very low	29.6	Very low	148 Å²	148	120.8 Å²	120.8	91%	0.908	78%	0.784	S	S	*	*			trans	-162.1	158.6	143.4	-5.5	0	0	0	0	109.3
966	T	30.5	Very low	29.5	Very low	113 Å²	113	122.1 Å²	122.1	69%	0.693	80%	0.798	S	S	*	*			trans	-147.7	132.9	-156.9	53.7	0	0	0	0	116.5
967	S	28.8	Very low	29.5	Very low	108 Å²	108	118.9 Å²	118.9	76%	0.755	79%	0.79	S	S	*	*			trans	-171.6	125.5	151.1	52.4	0	0	0	0	109.7
968	E	35.8	Very low	29.4	Very low	171 Å²	171	120.3 Å²	120.3	80%	0.799	79%	0.787	S	S	*	*				71.4	132.8	52.9	-58.8	-178.5	143.9	0	0	112
969	D	31.2	Very low	29.4	Very low	149 Å²	149	122.3 Å²	122.3	80%	0.797	79%	0.785	S	S	*	*			cis	-130.5	146.5	23.1	-88.8	-55	0	0	0	112.7
970	A	33.3	Very low	29.3	Very low	84 Å²	84	124.4 Å²	124.4	69%	0.694	78%	0.783	S	S	*	*				74.7	149.3	77.1	0	0	0	0	0	115.1
971	V	31.3	Very low	29.4	Very low	145 Å²	145	124.5 Å²	124.5	88%	0.879	78%	0.777	S	S	*	*			cis	-148.8	140.5	17.1	176.4	0	0	0	0	112.3
972	G	26.7	Very low	29.6	Very low	79 Å²	79	127.1 Å²	127.1	81%	0.814	78%	0.781	S	S	*	*			trans	87.2	149	144.3	0	0	0	0	0	119.7
973	G	29.2	Very low	29.5	Very low	85 Å²	85	129.7 Å²	129.7	88%	0.876	79%	0.789	S	S	*	*			cis	140.8	91.2	-12.4	0	0	0	0	0	115.9
974	A	28.1	Very low	29.9	Very low	103 Å²	103	128.6 Å²	128.6	85%	0.851	80%	0.797	S	S	*	*			trans	-158.6	127.5	162.8	0	0	0	0	0	111.9
975	T	32.3	Very low	29.9	Very low	140 Å²	140	128.6 Å²	128.6	86%	0.859	81%	0.807	S	S	*	*			trans	-133.9	138.2	174.9	44.6	0	0	0	0	111
976	L	28.6	Very low	29.8	Very low	179 Å²	179	125.3 Å²	125.3	94%	0.937	80%	0.803	S	S	*	*			trans	175.4	135.3	164.3	-99.6	153.6	0	0	0	107.7
977	G	28.6	Very low	29.7	Very low	63 Å²	63	123.6 Å²	123.6	65%	0.649	81%	0.807	S	S	*	*			cis	163	162.9	-9.7	0	0	0	0	0	112.4
978	Q	27.5	Very low	29.7	Very low	177 Å²	177	122.8 Å²	122.8	83%	0.827	81%	0.807	S	S	*	*			trans	74.7	121.7	167.8	-63.1	-172.7	-36.5	0	0	116.8
979	T	26.6	Very low	29.5	Very low	113 Å²	113	120.7 Å²	120.7	69%	0.693	81%	0.806	S	S	*	*			cis	82.3	142	47.5	67.9	0	0	0	0	113.3
980	T	26.3	Very low	29.4	Very low	120 Å²	120	121.5 Å²	121.5	74%	0.736	81%	0.809	S	S	*	*			cis	-172.2	149.3	5.3	12.7	0	0	0	0	111.1
981	S	28.8	Very low	29.3	Very low	105 Å²	105	120.9 Å²	120.9	73%	0.734	81%	0.805	S	S	*	*			trans	162.9	127.7	146.8	55.9	0	0	0	0	108.3
982	E	31.6	Very low	29.2	Very low	176 Å²	176	122.6 Å²	122.6	82%	0.822	80%	0.803	S	S	*	*			cis	67.1	134.7	46.3	-56.2	-177.2	140.5	0	0	112.3
983	E	28.6	Very low	29.2	Very low	196 Å²	196	123.9 Å²	123.9	92%	0.916	80%	0.795	S	S	*	*			cis	-131.5	-177.6	13.2	-63.6	177.8	107.3	0	0	113.1
984	A	36.4	Very low	29	Very low	95 Å²	95	125.6 Å²	125.6	79%	0.785	79%	0.789	S	S	*	*			trans	-127.9	160	169.5	0	0	0	0	0	110.9
985	V	29.4	Very low	29	Very low	152 Å²	152	126 Å²	126	92%	0.921	79%	0.785	S	S	*	*			trans	-169.5	140.4	160.6	128.5	0	0	0	0	113.6
986	G	26.5	Very low	28.9	Very low	79 Å²	79	128.2 Å²	128.2	81%	0.814	79%	0.786	S	S	*	*			trans	79.9	152.7	154.9	0	0	0	0	0	119.2
987	G	27.3	Very low	28.9	Very low	77 Å²	77	124.4 Å²	124.4	79%	0.794	78%	0.78	S	S	*	*			cis	155.7	112.9	-13.2	0	0	0	0	0	116.8
988	A	30.6	Very low	28.9	Very low	91 Å²	91	125.7 Å²	125.7	75%	0.752	79%	0.785	S	S	*	*			trans	58	102.6	149.6	0	0	0	0	0	123.1
989	T	31.2	Very low	29	Very low	126 Å²	126	125 Å²	125	77%	0.773	78%	0.783	S	S	*	*				46.9	158.7	121.8	46.8	0	0	0	0	125.7
990	L	29.7	Very low	29.1	Very low	166 Å²	166	128.7 Å²	128.7	87%	0.869	79%	0.793	S	S	*	*			trans	83.2	153.7	170.7	-65.2	109.5	0	0	0	118.1
991	A	30.5	Very low	29.3	Very low	72 Å²	72	127 Å²	127	60%	0.595	80%	0.799	S	S	*	*			cis	-176.9	173.1	-30	0	0	0	0	0	110.4
992	Q	28.8	Very low	29.7	Very low	181 Å²	181	126.4 Å²	126.4	85%	0.846	80%	0.801	S	S	*	*			trans	69.9	156.7	155.2	-79.1	179	-12.8	0	0	120.1
993	T	26.1	Very low	30.1	Very low	105 Å²	105	124.2 Å²	124.2	64%	0.644	80%	0.799	S	S	*	*			cis	-168.3	137.4	-39.2	19.2	0	0	0	0	111.5
994	T	25.5	Very low	30.6	Very low	122 Å²	122	122.3 Å²	122.3	75%	0.748	80%	0.795	S	S	*	*			trans	50.2	156.8	143.4	60.3	0	0	0	0	124.8
995	S	28.2	Very low	30.6	Very low	111 Å²	111	123.1 Å²	123.1	78%	0.776	79%	0.786	S	S	*	*			trans	77	155.7	154.1	74.4	0	0	0	0	118.7
996	E	29.8	Very low	31	Very low	187 Å²	187	123.5 Å²	123.5	87%	0.874	78%	0.778	S	S	*	*			cis	-176	-179.4	-41.4	-126.1	-177.5	161.8	0	0	108.1
997	A	29.6	Very low	31.3	Very low	99 Å²	99	125.6 Å²	125.6	82%	0.818	78%	0.775	S	S	*	*			trans	71.2	153.7	166.9	0	0	0	0	0	118.7
998	A	28.2	Very low	31.4	Very low	89 Å²	89	128.5 Å²	128.5	74%	0.736	78%	0.777	S	S	*	*			cis	-171.3	179.5	-22.3	0	0	0	0	0	111.4
999	M	28.8	Very low	31.6	Very low	163 Å²	163	129.5 Å²	129.5	80%	0.803	78%	0.779	S	S	*	*			trans	79.8	101.4	156.8	-66.3	-70	-171.4	0	0	121.1
1000	E	30.2	Very low	31.8	Very low	190 Å²	190	131.8 Å²	131.8	89%	0.888	78%	0.781	S	S	*	*				42.8	116.6	128.1	-57.7	-169.2	146.6	0	0	122.3
1001	G	29.1	Very low	31.8	Very low	85 Å²	85	132.5 Å²	132.5	88%	0.876	78%	0.78	S	S	*	*			trans	-174.6	147	162.7	0	0	0	0	0	109.8
1002	A	37.8	Very low	31.5	Very low	92 Å²	92	133.3 Å²	133.3	76%	0.76	79%	0.786	S	S	*	*			trans	-115.7	157	-160.5	0	0	0	0	0	117.2
1003	T	40.8	Very low	32.8	Very low	130 Å²	130	130.5 Å²	130.5	80%	0.798	78%	0.784	S	S	*	*			trans	79.4	116.7	163.2	57.6	0	0	0	0	121.2
1004	L	37.4	Very low	32.8	Very low	156 Å²	156	129.7 Å²	129.7	82%	0.817	80%	0.796	S	S	*	*			trans	64.8	143.2	154.4	-85.9	84.9	0	0	0	119.2
1005	D	37.9	Very low	33	Very low	113 Å²	113	127.2 Å²	127.2	60%	0.604	80%	0.795	S	S	*	*			cis	-165.6	152.4	-13.7	-151.4	22.7	0	0	0	111.2
1006	Q	37.6	Very low	33	Very low	159 Å²	159	128.8 Å²	128.8	74%	0.743	80%	0.8	S	S	*	*			trans	59.4	148.9	161.8	-64.8	169.7	55.1	0	0	120.1
1007	T	31.6	Very low	33.3	Very low	124 Å²	124	127.4 Å²	127.4	76%	0.761	79%	0.794	S	S	*	*			cis	-159.2	157.6	-21.3	17.8	0	0	0	0	110
1008	T	29.7	Very low	33.2	Very low	137 Å²	137	129.7 Å²	129.7	84%	0.84	79%	0.791	S	S	*	*			trans	-156.1	170.3	-170	45.3	0	0	0	0	110.5
1009	S	34.3	Very low	33.4	Very low	112 Å²	112	132 Å²	132	78%	0.783	79%	0.79	S	S	*	*			cis	-168.9	-166.2	-21.9	55.9	0	0	0	0	109.6
1010	E	35.6	Very low	33.3	Very low	174 Å²	174	133.3 Å²	133.3	81%	0.813	79%	0.794	S	S	*	*			trans	-72.4	160.8	-162.4	-65.8	161.3	145	0	0	120.2
1011	E	30.3	Very low	33.4	Very low	182 Å²	182	130.2 Å²	130.2	85%	0.85	79%	0.788	S	S	*	*			trans	65.8	128	140.4	-78.9	-169.1	173.5	0	0	126.9
1012	A	25	Very low	34.6	Very low	89 Å²	89	131.3 Å²	131.3	74%	0.736	78%	0.78	S	S	*	*			trans	77.9	-179.5	135.9	0	0	0	0	0	119.7
1013	P	55.8	Low	34.1	Very low	121 Å²	121	135 Å²	135	79%	0.786	79%	0.786	S	S	*	*				-136.4	159.5	-109.4	37.1	-15.5	0	0	0	118.7
1014	G	26.5	Very low	33.9	Very low	88 Å²	88	133.3 Å²	133.3	91%	0.907	79%	0.786	S	S	*	*			trans	62.9	131	143.9	0	0	0	0	0	122.7
1015	G	28.3	Very low	33.4	Very low	71 Å²	71	132 Å²	132	73%	0.732	79%	0.79	S	S	*	*			trans	145.9	119.3	148.3	0	0	0	0	0	120.2
1016	T	29	Very low	33	Very low	143 Å²	143	131.5 Å²	131.5	88%	0.877	79%	0.794	S	S	*	*			trans	75.6	168.5	142.6	-16.5	0	0	0	0	120.9
1017	E	35.3	Very low	32.8	Very low	158 Å²	158	129.3 Å²	129.3	74%	0.738	79%	0.792	S	S	*	*			trans	-110.8	172.5	-151.3	-47.1	159.4	88.6	0	0	115.6
1018	L	29	Very low	32.7	Very low	147 Å²	147	130 Å²	130	77%	0.77	79%	0.792	S	S	*	*				173.9	119.5	112.2	-92.5	167.7	0	0	0	116.3
1019	I	31.9	Very low	32.7	Very low	138 Å²	138	130.3 Å²	130.3	71%	0.708	78%	0.783	S	S	*	*			trans	18.8	128.6	138.8	-58.7	171	0	0	0	120.8
1020	Q	26.3	Very low	32.4	Very low	190 Å²	190	133 Å²	133	89%	0.888	78%	0.783	S	S	*	*				-164	151	126.2	-111.2	171.9	39.9	0	0	115.4
1021	T	31.6	Very low	32	Very low	125 Å²	125	130.7 Å²	130.7	77%	0.767	78%	0.781	S	S	*	*			trans	-111.2	-167.7	177.3	53.5	0	0	0	0	109.3
1022	P	54.8	Low	33.4	Very low	108 Å²	108	127.6 Å²	127.6	70%	0.701	78%	0.777	S	S	*	*			cis	-141.2	-174.2	2	44.7	-25.9	0	0	0	116.4
1023	L	27.4	Very low	34.9	Very low	170 Å²	170	128.4 Å²	128.4	89%	0.89	77%	0.774	S	S	*	*				157.8	162.5	116.6	-148	75.4	0	0	0	112.1
1024	A	36.1	Very low	33.6	Very low	95 Å²	95	129.6 Å²	129.6	79%	0.785	78%	0.78	S	S	*	*			trans	-144.6	160.6	-177.8	0	0	0	0	0	113.8
1025	S	27.2	Very low	33.9	Very low	129 Å²	129	130.5 Å²	130.5	90%	0.902	77%	0.772	S	S	*	*			trans	-159.8	164.6	170.2	58.1	0	0	0	0	111.9
1026	S	29.6	Very low	34.7	Very low	101 Å²	101	133 Å²	133	71%	0.706	78%	0.776	S	S	*	*			trans	-127.8	157.9	-156.6	61.3	0	0	0	0	117.1
1027	T	33.4	Very low	34.9	Very low	114 Å²	114	132.5 Å²	132.5	70%	0.699	77%	0.772	S	S	*	*			trans	52.6	128	145	52.5	0	0	0	0	122.1
1028	D	30.2	Very low	34.6	Very low	139 Å²	139	134.4 Å²	134.4	74%	0.743	78%	0.781	S	S	*	*				-176.9	147.1	108.8	-99.7	-3.6	0	0	0	118.7
1029	H	30.2	Very low	34.6	Very low	143 Å²	143	130.2 Å²	130.2	66%	0.662	77%	0.774	S	S	*	*			trans	35.8	123.6	146.7	-68.3	-55.8	0	0	0	127.4
1030	Q	27.9	Very low	34.4	Very low	169 Å²	169	129.7 Å²	129.7	79%	0.79	78%	0.777	S	S	*	*				76	136.8	123.1	-66.2	179.6	1.8	0	0	125.1
1031	T	26.5	Very low	34.5	Very low	124 Å²	124	126.7 Å²	126.7	76%	0.761	77%	0.772	S	S	*	*			trans	-56.1	-176.6	168.4	54.9	0	0	0	0	118.1
1032	P	59.2	Low	35	Very low	118 Å²	118	126.1 Å²	126.1	77%	0.766	77%	0.77	S	S	*	*			cis	-119.5	-88.5	-18	16.1	5.9	0	0	0	120.4
1033	P	55.8	Low	33.7	Very low	105 Å²	105	129 Å²	129	68%	0.682	77%	0.774	S	S	*	*			trans	-137.9	174.6	-132.1	43.7	-25	0	0	0	118.7
1034	T	28.9	Very low	33.6	Very low	146 Å²	146	127.4 Å²	127.4	90%	0.896	77%	0.765	S	S	*	*			trans	-177.8	160.8	139.8	18.6	0	0	0	0	113
1035	S	33	Very low	33	Very low	108 Å²	108	128 Å²	128	76%	0.755	76%	0.763	S	S	*	*			trans	-132.2	154.7	174.5	-46.5	0	0	0	0	110.7
1036	P	45.7	Very low	33.8	Very low	124 Å²	124	127.3 Å²	127.3	81%	0.805	76%	0.756	S	S	*	*				-147.8	132.4	103.6	32.1	-13	0	0	0	114.9
1037	V	32.8	Very low	33.7	Very low	131 Å²	131	127.3 Å²	127.3	79%	0.794	76%	0.756	S	S	*	*				77.6	109.5	83.9	175.8	0	0	0	0	116.8
1038	Q	29.8	Very low	33.3	Very low	198 Å²	198	127.7 Å²	127.7	93%	0.925	76%	0.758	S	S	*	*			trans	175.6	129.4	131.2	-97.3	-179.5	16.5	0	0	108.6
1039	G	27.7	Very low	33	Very low	60 Å²	60	128.1 Å²	128.1	62%	0.619	76%	0.76	S	S	*	*			cis	176.6	103.7	-12	0	0	0	0	0	110.4
1040	T	27.8	Very low	32.9	Very low	127 Å²	127	127.6 Å²	127.6	78%	0.779	76%	0.76	S	S	*	*				79.7	95.4	90.4	52.2	0	0	0	0	116.3
1041	T	29.2	Very low	32.8	Very low	127 Å²	127	127.4 Å²	127.4	78%	0.779	76%	0.759	S	S	*	*				85.5	168.4	98.6	50.3	0	0	0	0	115.2
1042	P	42	Very low	32.9	Very low	112 Å²	112	125.1 Å²	125.1	73%	0.727	75%	0.749	S	S	*	*			cis	-125.8	152.8	5.3	21.3	4.9	0	0	0	116.1
1043	Q	28	Very low	31.3	Very low	170 Å²	170	126.2 Å²	126.2	79%	0.794	75%	0.747	S	S	*	*				78.6	152.2	89.2	-63.8	-152.7	-20	0	0	120.5
1044	I	25.6	Very low	29.9	Very low	136 Å²	136	132.5 Å²	132.5	70%	0.697	76%	0.758	S	S	*	*			trans	95.1	108.6	142.6	-85.7	161.2	0	0	0	121.5
1045	S	23.3	Very low	29.8	Very low	107 Å²	107	131 Å²	131	75%	0.748	75%	0.748	S	S	*	*				67.6	166	124.5	-49.7	0	0	0	0	122.8
1046	P	43.6	Very low	29.3	Very low	114 Å²	114	132.8 Å²	132.8	74%	0.74	75%	0.748	S	S	*	*			trans	-110.7	174.3	-162.6	42.1	-35.1	0	0	0	116.7
1047	S	26.4	Very low	28.5	Very low	102 Å²	102	134.3 Å²	134.3	71%	0.713	75%	0.745	S	S	*	*			trans	84.2	134.5	149	69.4	0	0	0	0	122.3
1048	T	25.4	Very low	28.2	Very low	121 Å²	121	135.8 Å²	135.8	74%	0.742	75%	0.748	S	S	*	*			trans	75.1	117.8	150.7	38.8	0	0	0	0	123.8
1049	L	25	Very low	28	Very low	149 Å²	149	130.2 Å²	130.2	78%	0.78	74%	0.743	S	S	*	*				92.2	135.5	129.3	-73.6	166.6	0	0	0	123.4
1050	I	26.5	Very low	27.9	Very low	131 Å²	131	132.7 Å²	132.7	67%	0.672	75%	0.751	S	S	*	*			trans	95.5	110.4	138.8	-82.3	164.2	0	0	0	121.1
1051	E	26.3	Very low	27.7	Very low	165 Å²	165	136.7 Å²	136.7	77%	0.771	76%	0.757	S	S	*	*			trans	69.2	151.1	139.3	-72.5	-157	85.1	0	0	122.7
1052	S	28.1	Very low	27.6	Very low	77 Å²	77	135.9 Å²	135.9	54%	0.538	76%	0.757	S	S	.	*			cis	-158.5	153.6	-8.6	-123.9	0	0	0	0	115.6
1053	L	26.2	Very low	27	Very low	140 Å²	140	140.3 Å²	140.3	73%	0.733	77%	0.768	S	S	*	*			trans	49.3	121.8	143.5	-65.7	162.9	0	0	0	122.5
1054	R	26.2	Very low	26.9	Very low	238 Å²	238	135.6 Å²	135.6	90%	0.898	77%	0.765	S	S	*	*				-175.7	110.3	105.5	-98.9	172.3	-172.9	-170.9	2.9	116.1
1055	T	26.6	Very low	27.1	Very low	113 Å²	113	134.2 Å²	134.2	69%	0.693	77%	0.774	S	S	*	*			trans	11.1	127.3	135.5	-6.9	0	0	0	0	121.6
1056	L	23.9	Very low	27.1	Very low	146 Å²	146	135 Å²	135	76%	0.764	78%	0.78	S	S	*	*				169.2	116.5	103.4	-96.5	164.9	0	0	0	116.3
1057	E	27.5	Very low	26.4	Very low	156 Å²	156	138.6 Å²	138.6	73%	0.729	79%	0.787	S	S	*	*			trans	15.8	153.9	139	-63	-168.7	134.7	0	0	127.2
1058	L	27.3	Very low	26.3	Very low	163 Å²	163	138.9 Å²	138.9	85%	0.853	79%	0.788	S	S	*	*			trans	78.8	127.7	139.3	-81.8	162.1	0	0	0	122.2
1059	G	24.9	Very low	26.3	Very low	81 Å²	81	142.4 Å²	142.4	84%	0.835	80%	0.796	S	S	*	*			trans	166.8	116.6	162.3	0	0	0	0	0	113.5
1060	S	25.6	Very low	26.5	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	79%	0.794	S	S	*	*			trans	-125.3	156.2	-176.4	63.4	0	0	0	0	113.4
1061	K	24.9	Very low	27.1	Very low	210 Å²	210	139.6 Å²	139.6	91%	0.913	80%	0.803	S	S	*	*			trans	-174.6	163.2	135.5	-106.2	164.7	-174.5	178.2	0	114.6
1062	S	27	Very low	27	Very low	111 Å²	111	135.3 Å²	135.3	78%	0.776	80%	0.803	S	S	*	*			trans	-145.1	160.9	-175.1	55.4	0	0	0	0	111.3
1063	Q	28.1	Very low	26.9	Very low	205 Å²	205	140.4 Å²	140.4	96%	0.958	82%	0.818	S	S	*	*			trans	178.9	144.2	164.1	-103.8	166.5	6	0	0	107
1064	G	26.6	Very low	27	Very low	70 Å²	70	141.5 Å²	141.5	72%	0.722	82%	0.82	S	S	*	*			cis	-178.8	133.9	-11.6	0	0	0	0	0	106.6
1065	A	28.9	Very low	27	Very low	107 Å²	107	135.8 Å²	135.8	88%	0.884	81%	0.807	S	S	*	*				95.5	113	53.1	0	0	0	0	0	113.4
1066	S	23.9	Very low	26.9	Very low	125 Å²	125	137.5 Å²	137.5	87%	0.874	81%	0.811	S	S	*	*			trans	-154.4	152.6	152.1	62.5	0	0	0	0	109.4
1067	E	28.8	Very low	26.9	Very low	189 Å²	189	138.5 Å²	138.5	88%	0.883	82%	0.816	S	S	*	*			trans	-115.7	160.1	-159.4	-54.4	154.9	117.4	0	0	113
1068	S	25.3	Very low	26.8	Very low	107 Å²	107	135 Å²	135	75%	0.748	82%	0.822	S	S	*	*				-177.7	130.4	123.9	29.8	0	0	0	0	115.7
1069	Q	24.3	Very low	26.7	Very low	195 Å²	195	136.6 Å²	136.6	91%	0.911	83%	0.825	S	S	*	*			trans	62.9	117.3	138.8	-64.2	176.7	-14.6	0	0	122.8
1070	A	29.2	Very low	26.6	Very low	90 Å²	90	137.2 Å²	137.2	74%	0.744	82%	0.823	S	S	*	*			trans	-95.2	-168.1	143.1	0	0	0	0	0	108.5
1071	P	39.3	Very low	26.5	Very low	131 Å²	131	137 Å²	137	85%	0.851	83%	0.828	S	S	*	*			cis	-137.5	-160.2	4	44.5	-24.8	0	0	0	114.2
1072	G	24.3	Very low	26.4	Very low	75 Å²	75	130.9 Å²	130.9	77%	0.773	82%	0.824	S	S	*	*			trans	175.2	128.7	164	0	0	0	0	0	114
1073	E	26.7	Very low	26.2	Very low	184 Å²	184	129 Å²	129	86%	0.86	82%	0.823	S	S	*	*			trans	-128.2	160.4	-172.6	-69.6	175.9	119.1	0	0	113.7
1074	E	28.4	Very low	26.1	Very low	163 Å²	163	128 Å²	128	76%	0.762	82%	0.818	S	S	*	*			trans	70.5	130.3	146.7	-80.5	-157.9	161.1	0	0	125.4
1075	N	26.2	Very low	26.1	Very low	118 Å²	118	131.9 Å²	131.9	63%	0.631	82%	0.822	S	S	*	*			trans	64.9	114.2	131.9	-66.5	-30.9	0	0	0	122.7
1076	L	23.6	Very low	26	Very low	149 Å²	149	135.6 Å²	135.6	78%	0.78	82%	0.823	S	S	*	*				177.1	139.1	91.9	-88.3	176	0	0	0	113.5
1077	L	23.8	Very low	26.1	Very low	167 Å²	167	133.8 Å²	133.8	87%	0.874	82%	0.816	S	S	*	*			trans	47	126.1	147.4	-60.1	166	0	0	0	121.5
1078	G	24.9	Very low	26.1	Very low	82 Å²	82	132.7 Å²	132.7	85%	0.845	82%	0.816	S	S	*	*			trans	175.7	126.6	161.3	0	0	0	0	0	113.8
1079	E	25.7	Very low	26.1	Very low	197 Å²	197	133.1 Å²	133.1	92%	0.921	82%	0.819	S	S	*	*			trans	-87.6	162.7	-174.2	-60.9	173.3	120.1	0	0	114.4
1080	A	22	Very low	26.1	Very low	95 Å²	95	132.9 Å²	132.9	79%	0.785	82%	0.821	S	S	*	*			trans	82.7	113.9	147.1	0	0	0	0	0	122
1081	A	24.2	Very low	26.1	Very low	108 Å²	108	136.2 Å²	136.2	89%	0.893	83%	0.825	S	S	*	*			trans	69.5	127.8	131.7	0	0	0	0	0	122.2
1082	G	23.1	Very low	25.5	Very low	81 Å²	81	137.6 Å²	137.6	84%	0.835	82%	0.822	S	S	*	*				134.4	72.1	128.5	0	0	0	0	0	120.8
1083	G	22.7	Very low	25.6	Very low	72 Å²	72	143.8 Å²	143.8	74%	0.742	83%	0.831	S	S	*	*			trans	79.5	153	131.8	0	0	0	0	0	122.6
1084	Q	25.9	Very low	25.5	Very low	182 Å²	182	138.7 Å²	138.7	85%	0.85	83%	0.828	S	S	*	*			trans	71.5	93.8	154.4	-54.1	-169.5	-87.4	0	0	119.9
1085	D	27.6	Very low	25.3	Very low	153 Å²	153	137 Å²	137	82%	0.818	83%	0.834	S	S	*	*				24.8	125.7	122.5	-42.7	-41.6	0	0	0	120.1
1086	M	25.8	Very low	25.2	Very low	184 Å²	184	143 Å²	143	91%	0.906	85%	0.847	S	S	*	*			trans	-163	134.6	142.8	-116.7	-66.2	-174.6	0	0	113.2
1087	A	26.4	Very low	25.2	Very low	88 Å²	88	139.3 Å²	139.3	73%	0.727	85%	0.846	S	S	*	*			trans	62	134.1	153.3	0	0	0	0	0	122.1
1088	D	29.1	Very low	25.4	Very low	165 Å²	165	139 Å²	139	88%	0.882	84%	0.844	S	S	*	*			trans	-56.6	144.2	157.5	-69.9	-78.8	0	0	0	113.5
1089	S	24.3	Very low	25.5	Very low	116 Å²	116	141 Å²	141	81%	0.811	84%	0.84	S	S	*	*			trans	-167.1	103.4	141	-173.5	0	0	0	0	111.9
1090	M	24.2	Very low	25.5	Very low	191 Å²	191	139.6 Å²	139.6	94%	0.941	84%	0.839	S	S	*	*			trans	-170.8	124.8	137.8	-110.5	-177.7	-180	0	0	112.5
1091	L	28.8	Very low	25.8	Very low	160 Å²	160	143.6 Å²	143.6	84%	0.838	84%	0.842	S	S	*	*			trans	-106.5	131.3	169	-91.9	170.2	0	0	0	111.3
1092	M	28.2	Very low	26.2	Very low	159 Å²	159	142.5 Å²	142.5	78%	0.783	83%	0.833	S	S	*	*			trans	44.9	105.8	143.2	-65.9	-65	-177.6	0	0	120.5
1093	Q	25.8	Very low	26.5	Very low	205 Å²	205	145.1 Å²	145.1	96%	0.958	83%	0.826	S	S	*	*				178.5	130	128.5	-99.5	159.9	70.5	0	0	109.5
1094	G	24.5	Very low	26.7	Very low	77 Å²	77	150.3 Å²	150.3	79%	0.794	83%	0.829	S	S	*	*			cis	157.3	143.2	-8.4	0	0	0	0	0	111.2
1095	S	23.6	Very low	27	Very low	128 Å²	128	151.8 Å²	151.8	90%	0.895	83%	0.828	S	S	*	*			trans	-161.7	164.3	163.8	-163.3	0	0	0	0	111.8
1096	R	25.1	Very low	27.5	Very low	243 Å²	243	147.8 Å²	147.8	92%	0.917	82%	0.816	S	S	*	*			trans	-107.4	130.3	-173.3	-78.6	178.2	165	179.7	-5.8	113.5
1097	G	24.4	Very low	28.7	Very low	73 Å²	73	144.4 Å²	144.4	75%	0.753	81%	0.805	S	S	*	*			trans	91.3	118	132.9	0	0	0	0	0	118.6
1098	L	26.3	Very low	31	Very low	159 Å²	159	145.4 Å²	145.4	83%	0.832	80%	0.803	S	S	*	*			trans	-165.9	110.3	140.5	-107.4	163.6	0	0	0	109.8
1099	T	27.3	Very low	33.6	Very low	125 Å²	125	140.1 Å²	140.1	77%	0.767	78%	0.778	S	S	*	*			trans	30.6	100.3	158.3	54.6	0	0	0	0	119.2
1100	D	25.9	Very low	36.6	Very low	168 Å²	168	137.9 Å²	137.9	90%	0.898	76%	0.756	S	S	*	*			trans	-74.3	127.3	160.6	-71.6	-52.1	0	0	0	111.1
1101	Q	28.7	Very low	39.8	Very low	178 Å²	178	133.6 Å²	133.6	83%	0.832	74%	0.742	S	S	*	*			trans	-111.2	158	159.3	-72.4	-173.8	-53.9	0	0	108.8	I1103	Q1101-I1103 PolarHBondContact O-N 3.17Å
1102	A	32.6	Very low	42.8	Very low	86 Å²	86	133.3 Å²	133.3	71%	0.711	73%	0.73	S	S	*	*			trans	-59.8	133.4	-167.5	0	0	0	0	0	113.8	F1104	A1102-F1104 HydrophobicContact CB-CD2 4.35Å; A1102-F1104 HydrophobicContact CB-CE2 4.27Å
1103	I	28.4	Very low	45.9	Very low	136 Å²	136	125.8 Å²	125.8	70%	0.697	69%	0.694	S	S	*	*			trans	-99.9	94	166.8	-58.2	179	0	0	0	108	Q1101 Y1105	Q1101-I1103 PolarHBondContact O-N 3.17Å; I1103-Y1105 HydrophobicContact CG2-CE1 4.41Å
1104	F	28.2	Very low	49	Very low	180 Å²	180	119.2 Å²	119.2	79%	0.789	67%	0.669	S	S	*	*			trans	-71.1	134.3	154.1	-71.1	-96.5	0	0	0	107.7	A1102 A1106	A1102-F1104 HydrophobicContact CB-CD2 4.35Å; A1102-F1104 HydrophobicContact CB-CE2 4.27Å; F1104-A1106 PolarHBondContact O-N 3.08Å
1105	Y	32.7	Very low	52.5	Low	214 Å²	214	117.9 Å²	117.9	84%	0.839	64%	0.642	S	S	*	*			trans	-77.4	57.3	172.7	-75.8	-76.1	0	0	0	111.9	I1103 V1107	I1103-Y1105 HydrophobicContact CG2-CE1 4.41Å; Y1105-V1107 PolarHBondContact O-N 2.78Å
1106	A	37.8	Very low	55.9	Low	69 Å²	69	112.5 Å²	112.5	57%	0.57	60%	0.603	S	S	*	*			trans	-61.8	124	161.4	0	0	0	0	0	108.3	F1104 T1108	F1104-A1106 PolarHBondContact O-N 3.08Å; A1106-T1108 PolarHBondContact O-N 3.12Å; A1106-T1108 PolarHBondContact O-OG1 3.43Å; A1106-T1108 VanDerWaalsContact O-OG1 3.05Å
1107	V	50.7	Low	59.1	Low	112 Å²	112	107.4 Å²	107.4	68%	0.679	60%	0.598	S	S	*	*			trans	-68.8	80	175.5	-177.1	0	0	0	0	108.7	Y1105 P1109 Y1189	Y1105-V1107 PolarHBondContact O-N 2.78Å; V1107-P1109 WeakPolarHBondContact O-CD 3.31Å; V1107-Y1189 HydrophobicContact CG1-CD2 3.72Å; V1107-Y1189 HydrophobicContact CG1-CE2 4.19Å
1108	T	73.6	Confident	62.3	Low	109 Å²	109	105.4 Å²	105.4	67%	0.669	57%	0.574	S	S	*	*			trans	-73.4	112.4	-172.3	-59.5	0	0	0	0	108.5	A1106 L1110	A1106-T1108 PolarHBondContact O-N 3.12Å; A1106-T1108 PolarHBondContact O-OG1 3.43Å; A1106-T1108 VanDerWaalsContact O-OG1 3.05Å; T1108-L1110 PolarHBondContact O-N 2.78Å
1109	P	85	Confident	65.6	Low	55 Å²	55	99.4 Å²	99.4	36%	0.357	54%	0.544	S	S	.	.			trans	-63.3	140.4	-179.3	-20.8	34.1	0	0	0	110.1	V1107 Y1189 H1191	V1107-P1109 WeakPolarHBondContact O-CD 3.31Å; P1109-Y1189 CarbonylContact C-O 3.53Å; P1109-Y1189 WeakPolarHBondContact CA-O 3.35Å; P1109-H1191 HydrophobicContact CB-CB 3.8Å; P1109-H1191 HydrophobicContact CG-CB 4.41Å
1110	L	87.8	Confident	68.7	Low	68 Å²	68	96.1 Å²	96.1	36%	0.356	53%	0.526	S	S	.	.	B	Isolated β-bridge	trans	-60	127	176.3	-64.7	178.5	0	0	0	109.3	T1108 W1112 C1186 A1188 Y1189 V1190 H1191	T1108-L1110 PolarHBondContact O-N 2.78Å; L1110-W1112 PolarHBondContact O-N 3.29Å; L1110-W1112 VanDerWaalsContact O-N 3.15Å; L1110-C1186 HydrophobicContact CD1-CB 4.22Å; L1110-A1188 HydrophobicContact CD1-CB 3.75Å; L1110-A1188 HydrophobicContact CG-CB 4.01Å; L1110-Y1189 PolarHBondContact N-O 2.97Å; L1110-V1190 WeakPolarHBondContact O-CA 3.35Å; L1110-H1191 PolarHBondContact O-N 2.99Å
1111	P	89.6	Confident	71.8	Confident	101 Å²	101	93.9 Å²	93.9	66%	0.656	52%	0.52	S	S	*	.	S	Bend	trans	-67.6	-14.1	-179.9	27.4	-35	0	0	0	112.6	H1191 H1192	P1111-H1191 CarbonylContact C-O 3.59Å; P1111-H1191 VanDerWaalsContact C-O 3.31Å; P1111-H1191 WeakPolarHBondContact CA-O 3.38Å; P1111-H1191 VanDerWaalsContact O-O 3.13Å; P1111-H1192 WeakPolarHBondContact O-CB 3.39Å; P1111-H1192 PolarHBondContact O-CD2 3.37Å; P1111-H1192 VanDerWaalsContact O-CD2 3.26Å
1112	W	93.2	Very high	74.8	Confident	154 Å²	154	87.6 Å²	87.6	58%	0.583	49%	0.492	S	S	*	.			trans	-159.6	151	177.3	-179.3	89.4	0	0	0	110.2	L1110 P1114 L1116 H1192	L1110-W1112 PolarHBondContact O-N 3.29Å; L1110-W1112 VanDerWaalsContact O-N 3.15Å; W1112-P1114 VanDerWaalsContact CH2-CA 3.49Å; W1112-P1114 HydrophobicContact CH2-CB 3.77Å; W1112-P1114 HydrophobicContact CZ2-CB 4.42Å; W1112-P1114 HydrophobicContact CZ3-CB 4.25Å; W1112-L1116 HydrophobicContact CB-CD1 4.49Å; W1112-L1116 HydrophobicContact CG-CD1 4.06Å; W1112-H1192 AromaticContact CD1-NE2 3.85Å
1113	C	92.6	Very high	77.4	Confident	2 Å²	2	85.9 Å²	85.9	1%	0.014	47%	0.474	C	S	.	.			trans	-144.1	153.6	164.4	78.8	0	0	0	0	110.4	H1115 L1116 V1190	C1113-H1115 PolarHBondContact O-N 2.85Å; C1113-H1115 VanDerWaalsContact O-N 3.11Å; C1113-L1116 WeakPolarHBondContact O-CB 3.44Å; C1113-L1116 WeakPolarHBondContact O-CD1 3.11Å; C1113-L1116 WeakPolarHBondContact O-CG 3.46Å; C1113-L1116 PolarHBondContact O-N 3.08Å; C1113-V1190 HydrophobicContact CB-CG2 4.3Å
1114	P	91.4	Very high	80.1	Confident	67 Å²	67	85 Å²	85	44%	0.435	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-62.9	-22.8	-177.3	25.5	-34.5	0	0	0	113	W1112 L1116 V1117	W1112-P1114 VanDerWaalsContact CH2-CA 3.49Å; W1112-P1114 HydrophobicContact CH2-CB 3.77Å; W1112-P1114 HydrophobicContact CZ2-CB 4.42Å; W1112-P1114 HydrophobicContact CZ3-CB 4.25Å; P1114-L1116 VanDerWaalsContact C-N 3.26Å; P1114-L1116 PolarHBondContact O-N 3.25Å; P1114-V1117 WeakPolarHBondContact O-CG2 3.41Å
1115	H	97.1	Very high	82.6	Confident	49 Å²	49	81.4 Å²	81.4	23%	0.227	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-76.2	-7.5	-178.3	-54.5	111.8	0	0	0	114.5	C1113 V1117 A1118 P1171 L1172 C1183 Y1185 C1186	C1113-H1115 PolarHBondContact O-N 2.85Å; C1113-H1115 VanDerWaalsContact O-N 3.11Å; H1115-V1117 PolarHBondContact O-N 3.27Å; H1115-V1117 VanDerWaalsContact O-N 3.09Å; H1115-A1118 WeakPolarHBondContact O-CB 3.45Å; H1115-A1118 PolarHBondContact O-N 2.58Å; H1115-P1171 HydrophobicContact CB-CB 3.76Å; H1115-P1171 HydrophobicContact CB-CG 3.78Å; H1115-L1172 HydrophobicContact CB-CD1 4.41Å; H1115-L1172 HydrophobicContact CB-CG 4.5Å; H1115-L1172 WeakPolarHBondContact O-CD1 3.5Å; H1115-C1183 PolarHBondContact ND1-SG 3.04Å; H1115-C1183 VanDerWaalsContact ND1-SG 3.39Å; H1115-Y1185 AromaticContact CD2-CD2 3.76Å; H1115-Y1185 WeakPolarHBondContact CE1-CB 3.45Å; H1115-Y1185 AromaticContact NE2-CD2 3.7Å; H1115-C1186 PolarHBondContact ND1-SG 3.31Å
1116	L	94.6	Very high	85.2	Confident	15 Å²	15	72.5 Å²	72.5	8%	0.079	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-56.6	-23.9	174.4	-74.5	164.3	0	0	0	113.2	W1112 C1113 P1114 A1118 V1119 L1172 V1190 H1192 L1195	W1112-L1116 HydrophobicContact CB-CD1 4.49Å; W1112-L1116 HydrophobicContact CG-CD1 4.06Å; C1113-L1116 WeakPolarHBondContact O-CB 3.44Å; C1113-L1116 WeakPolarHBondContact O-CD1 3.11Å; C1113-L1116 WeakPolarHBondContact O-CG 3.46Å; C1113-L1116 PolarHBondContact O-N 3.08Å; P1114-L1116 VanDerWaalsContact C-N 3.26Å; P1114-L1116 PolarHBondContact O-N 3.25Å; L1116-A1118 PolarHBondContact O-N 2.88Å; L1116-V1119 WeakPolarHBondContact O-CG2 3.48Å; L1116-V1119 PolarHBondContact O-N 3.08Å; L1116-V1119 VanDerWaalsContact O-N 3.16Å; L1116-L1172 HydrophobicContact CD2-CD1 4.14Å; L1116-L1172 HydrophobicContact CG-CD1 4.49Å; L1116-V1190 HydrophobicContact CD2-CG1 4.17Å; L1116-H1192 HydrophobicContact CD1-CB 3.8Å; L1116-H1192 VanDerWaalsContact CD1-CG 3.49Å; L1116-H1192 WeakPolarHBondContact CD1-ND1 3.06Å; L1116-H1192 HydrophobicContact CD2-CB 4.14Å; L1116-L1195 HydrophobicContact CD2-CD1 4.03Å; L1116-L1195 HydrophobicContact CD2-CD2 4.03Å; L1116-L1195 HydrophobicContact CD2-CG 3.88Å
1117	V	92.4	Very high	87.7	Confident	136 Å²	136	69.8 Å²	69.8	82%	0.824	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-65	-14.3	174.6	-55.1	0	0	0	0	114	P1114 H1115	P1114-V1117 WeakPolarHBondContact O-CG2 3.41Å; H1115-V1117 PolarHBondContact O-N 3.27Å; H1115-V1117 VanDerWaalsContact O-N 3.09Å
1118	A	93.3	Very high	89.6	Confident	30 Å²	30	67.8 Å²	67.8	25%	0.248	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-94.6	3.7	176.9	0	0	0	0	0	113.4	H1115 L1116 C1120 S1147 P1171	H1115-A1118 WeakPolarHBondContact O-CB 3.45Å; H1115-A1118 PolarHBondContact O-N 2.58Å; L1116-A1118 PolarHBondContact O-N 2.88Å; A1118-C1120 PolarHBondContact O-N 3.3Å; A1118-S1147 WeakPolarHBondContact O-CA 3.24Å; A1118-S1147 WeakPolarHBondContact O-CB 3.41Å; A1118-S1147 PolarHBondContact O-OG 3.42Å; A1118-P1171 HydrophobicContact CB-CG 3.5Å
1119	V	94	Very high	90.5	Very high	33 Å²	33	63.8 Å²	63.8	20%	0.2	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-74.6	116.8	169.2	179.4	0	0	0	0	108.2	L1116 L1146 L1172 L1195	L1116-V1119 WeakPolarHBondContact O-CG2 3.48Å; L1116-V1119 PolarHBondContact O-N 3.08Å; L1116-V1119 VanDerWaalsContact O-N 3.16Å; V1119-L1146 WeakPolarHBondContact CA-O 3.1Å; V1119-L1146 HydrophobicContact CG1-CB 4.41Å; V1119-L1146 HydrophobicContact CG2-CB 4.27Å; V1119-L1146 HydrophobicContact CG2-CD1 4.35Å; V1119-L1172 HydrophobicContact CG2-CD1 3.63Å; V1119-L1195 HydrophobicContact CG2-CD2 3.86Å
1120	C	93	Very high	90.8	Very high	56 Å²	56	66 Å²	66	38%	0.378	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-89.2	156.4	178.2	-70.5	0	0	0	0	111.6	A1118 L1146 S1147 Y1149	A1118-C1120 PolarHBondContact O-N 3.3Å; C1120-L1146 PolarHBondContact N-O 2.86Å; C1120-S1147 PolarHBondContact SG-O 2.96Å; C1120-S1147 VanDerWaalsContact SG-O 3.33Å; C1120-Y1149 HydrophobicContact CB-CE2 4.22Å; C1120-Y1149 WeakPolarHBondContact O-CE2 3.48Å; C1120-Y1149 PolarHBondContact O-OH 2.84Å
1121	P	91.3	Very high	91.1	Very high	121 Å²	121	66.3 Å²	66.3	79%	0.786	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-55.1	141.4	173.2	-24.9	34.8	0	0	0	112.1	Y1149	P1121-Y1149 WeakPolarHBondContact O-CE2 3.34Å
1122	I	90.7	Very high	91.4	Very high	46 Å²	46	64.4 Å²	64.4	24%	0.236	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-62.3	137.8	-177	-54.2	169.1	0	0	0	109.5	L1127 D1197 V1198 I1201	I1122-L1127 HydrophobicContact CG2-CD2 4.35Å; I1122-L1127 HydrophobicContact CG2-CG 4.38Å; I1122-D1197 HydrophobicContact CD1-CB 4.01Å; I1122-V1198 HydrophobicContact CD1-CB 3.87Å; I1122-V1198 HydrophobicContact CD1-CG2 4.29Å; I1122-V1198 HydrophobicContact CG1-CB 4.1Å; I1122-V1198 HydrophobicContact CG1-CG2 4.18Å; I1122-I1201 HydrophobicContact CD1-CD1 3.84Å; I1122-I1201 HydrophobicContact CG2-CD1 4.32Å
1123	P	88.6	Confident	91.6	Very high	50 Å²	50	57.2 Å²	57.2	33%	0.325	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-59.9	147.3	-179	-23.9	34.9	0	0	0	112.2	A1125 G1126 Y1149	P1123-A1125 PolarHBondContact O-N 3.22Å; P1123-G1126 PolarHBondContact O-N 2.73Å; P1123-Y1149 HydrophobicContact CG-CD1 4.23Å; P1123-Y1149 HydrophobicContact CG-CD2 3.74Å; P1123-Y1149 HydrophobicContact CG-CE2 4.48Å; P1123-Y1149 HydrophobicContact CG-CG 3.58Å
1124	A	84.1	Confident	91.6	Very high	119 Å²	119	59.9 Å²	59.9	98%	0.983	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-6.5	176.9	0	0	0	0	0	114.4
1125	A	81.9	Confident	91.8	Very high	103 Å²	103	61.2 Å²	61.2	85%	0.851	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.7	170.4	0	0	0	0	0	113.4	P1123	P1123-A1125 PolarHBondContact O-N 3.22Å
1126	G	86.2	Confident	91.7	Very high	27 Å²	27	61.6 Å²	61.6	28%	0.278	41%	0.412	S	S	.	.			trans	81.9	-156.9	-170.9	0	0	0	0	0	112.9	P1123	P1123-G1126 PolarHBondContact O-N 2.73Å
1127	L	90.8	Very high	91.6	Very high	13 Å²	13	63.2 Å²	63.2	7%	0.068	43%	0.433	C	S	.	.			trans	-114.2	149	166.8	-58.5	178.4	0	0	0	108.5	I1122 Y1149 V1198 I1201 A1202 N1205	I1122-L1127 HydrophobicContact CG2-CD2 4.35Å; I1122-L1127 HydrophobicContact CG2-CG 4.38Å; L1127-Y1149 HydrophobicContact CD2-CD1 3.49Å; L1127-Y1149 VanDerWaalsContact CD2-CD1 3.49Å; L1127-Y1149 HydrophobicContact CD2-CE1 3.8Å; L1127-V1198 HydrophobicContact CD1-CG2 3.85Å; L1127-I1201 HydrophobicContact CB-CG2 4.21Å; L1127-I1201 HydrophobicContact CD1-CG2 4.19Å; L1127-I1201 HydrophobicContact CG-CG2 3.99Å; L1127-A1202 HydrophobicContact CD1-CB 3.96Å; L1127-N1205 VanDerWaalsContact O-CG 3.28Å; L1127-N1205 PolarHBondContact O-ND2 3.32Å; L1127-N1205 PolarHBondContact O-OD1 2.94Å
1128	D	90.9	Very high	91.6	Very high	70 Å²	70	58.2 Å²	58.2	37%	0.374	40%	0.403	S	S	.	.			trans	-115.6	109.8	165.4	177.1	-0.1	0	0	0	108	T1130 Q1131 Y1176	D1128-T1130 PolarHBondContact O-N 2.92Å; D1128-T1130 WeakPolarHBondContact OD1-CA 3.48Å; D1128-T1130 WeakPolarHBondContact OD1-CB 3.43Å; D1128-T1130 PolarHBondContact OD1-N 3.3Å; D1128-T1130 PolarHBondContact OD1-OG1 3.32Å; D1128-Q1131 HydrophobicContact CB-CB 4.14Å; D1128-Q1131 WeakPolarHBondContact O-CB 3.15Å; D1128-Q1131 PolarHBondContact O-N 3.47Å; D1128-Q1131 PolarHBondContact OD1-N 3.41Å; D1128-Y1176 WeakPolarHBondContact O-CE2 3.41Å; D1128-Y1176 PolarHBondContact O-OH 3.27Å
1129	V	91.9	Very high	91.5	Very high	25 Å²	25	63 Å²	63	15%	0.152	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-11	179.7	-58.6	0	0	0	0	113.1	Y1176 A1202 N1205 K1206	V1129-Y1176 HydrophobicContact CB-CD1 4.27Å; V1129-Y1176 HydrophobicContact CB-CD2 4.33Å; V1129-Y1176 HydrophobicContact CB-CG 4.12Å; V1129-Y1176 HydrophobicContact CG1-CD1 3.9Å; V1129-Y1176 HydrophobicContact CG1-CE1 4Å; V1129-Y1176 HydrophobicContact CG1-CG 4.27Å; V1129-A1202 HydrophobicContact CG1-CB 4.19Å; V1129-N1205 HydrophobicContact CG1-CB 3.83Å; V1129-N1205 HydrophobicContact CG2-CB 4Å; V1129-K1206 HydrophobicContact CG2-CB 4.19Å
1130	T	92.2	Very high	91.2	Very high	102 Å²	102	67.5 Å²	67.5	63%	0.626	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-5.3	176.1	73.7	0	0	0	0	112.7	D1128	D1128-T1130 PolarHBondContact O-N 2.92Å; D1128-T1130 WeakPolarHBondContact OD1-CA 3.48Å; D1128-T1130 WeakPolarHBondContact OD1-CB 3.43Å; D1128-T1130 PolarHBondContact OD1-N 3.3Å; D1128-T1130 PolarHBondContact OD1-OG1 3.32Å
1131	Q	93.9	Very high	91.1	Very high	74 Å²	74	67.6 Å²	67.6	35%	0.346	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-57.7	128	-177.1	-175.4	175.6	-9.3	0	0	111.2	D1128 N1142 V1151	D1128-Q1131 HydrophobicContact CB-CB 4.14Å; D1128-Q1131 WeakPolarHBondContact O-CB 3.15Å; D1128-Q1131 PolarHBondContact O-N 3.47Å; D1128-Q1131 PolarHBondContact OD1-N 3.41Å; Q1131-N1142 PolarHBondContact O-ND2 2.78Å; Q1131-V1151 HydrophobicContact CB-CB 4.42Å; Q1131-V1151 HydrophobicContact CB-CG1 4.33Å; Q1131-V1151 HydrophobicContact CB-CG2 4.22Å; Q1131-V1151 HydrophobicContact CG-CB 4.11Å; Q1131-V1151 HydrophobicContact CG-CG1 4.4Å; Q1131-V1151 HydrophobicContact CG-CG2 4.18Å; Q1131-V1151 WeakPolarHBondContact O-CG1 3.33Å
1132	P	95.6	Very high	91.3	Very high	61 Å²	61	62.1 Å²	62.1	40%	0.396	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-71.4	158	176.1	29.3	-35	0	0	0	112	G1134 G1137 T1138 I1139 N1142	P1132-G1134 PolarHBondContact O-N 3.22Å; P1132-G1137 WeakPolarHBondContact CB-O 3.28Å; P1132-T1138 CarbonylContact C-O 3.57Å; P1132-T1138 VanDerWaalsContact CA-O 3.31Å; P1132-T1138 WeakPolarHBondContact CA-O 3.1Å; P1132-I1139 HydrophobicContact CB-CG2 4.09Å; P1132-N1142 WeakPolarHBondContact CA-ND2 3.49Å
1133	C	96.8	Very high	91.7	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.02	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-57.8	127.7	175.2	172	0	0	0	0	110.7	D1135 G1137 T1138 N1142 C1153	C1133-D1135 PolarHBondContact O-N 3.04Å; C1133-D1135 VanDerWaalsContact O-N 3.12Å; C1133-G1137 WeakPolarHBondContact O-CA 3.46Å; C1133-G1137 PolarHBondContact O-N 3.01Å; C1133-T1138 HydrophobicContact CB-CG2 3.89Å; C1133-T1138 PolarHBondContact N-O 3.43Å; C1133-N1142 PolarHBondContact N-ND2 3.37Å; C1133-C1153 HydrophobicContact CB-CB 4.04Å; C1133-C1153 PolarHBondContact SG-N 2.68Å
1134	G	93.8	Very high	92.1	Very high	58 Å²	58	59.2 Å²	59.2	60%	0.598	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.9	-175.5	0	0	0	0	0	115.4	P1132 V1151	P1132-G1134 PolarHBondContact O-N 3.22Å; G1134-V1151 PolarHBondContact N-O 3.34Å
1135	D	94.4	Very high	92.7	Very high	95 Å²	95	53.6 Å²	53.6	51%	0.508	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-42.8	-176.3	-59.6	-32.2	0	0	0	114.3	C1133 Y1152 H1160	C1133-D1135 PolarHBondContact O-N 3.04Å; C1133-D1135 VanDerWaalsContact O-N 3.12Å; D1135-Y1152 WeakPolarHBondContact OD2-CD1 3.47Å; D1135-Y1152 WeakPolarHBondContact OD2-CE1 3.46Å; D1135-H1160 IonicContact OD2-CD2 3.28Å; D1135-H1160 PolarHBondContact OD2-CD2 3.2Å; D1135-H1160 VanDerWaalsContact OD2-CD2 3.27Å; D1135-H1160 IonicContact OD2-CG 3.78Å
1136	C	94.3	Very high	93.5	Very high	57 Å²	57	48.7 Å²	48.7	39%	0.385	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	0.1	-172.5	67	0	0	0	0	115.5	T1138 H1160	C1136-T1138 PolarHBondContact O-N 3.29Å; C1136-T1138 VanDerWaalsContact O-N 3.13Å; C1136-H1160 VanDerWaalsContact SG-CE1 3.58Å; C1136-H1160 PolarHBondContact SG-ND1 3.22Å
1137	G	94.5	Very high	94	Very high	49 Å²	49	48.2 Å²	48.2	51%	0.505	29%	0.285	S	S	.	.			trans	72.1	-0.5	173.9	0	0	0	0	0	116.5	P1132 C1133	P1132-G1137 WeakPolarHBondContact CB-O 3.28Å; C1133-G1137 WeakPolarHBondContact O-CA 3.46Å; C1133-G1137 PolarHBondContact O-N 3.01Å
1138	T	92.4	Very high	94.2	Very high	31 Å²	31	49.7 Å²	49.7	19%	0.19	30%	0.296	C	S	.	.			trans	-65.9	150.9	176.8	-169.2	0	0	0	0	112.4	P1132 C1133 C1136 Q1140 N1142 C1153 I1157	P1132-T1138 CarbonylContact C-O 3.57Å; P1132-T1138 VanDerWaalsContact CA-O 3.31Å; P1132-T1138 WeakPolarHBondContact CA-O 3.1Å; C1133-T1138 HydrophobicContact CB-CG2 3.89Å; C1133-T1138 PolarHBondContact N-O 3.43Å; C1136-T1138 PolarHBondContact O-N 3.29Å; C1136-T1138 VanDerWaalsContact O-N 3.13Å; T1138-Q1140 PolarHBondContact OG1-N 3.32Å; T1138-N1142 PolarHBondContact O-ND2 3.42Å; T1138-N1142 PolarHBondContact O-OD1 2.91Å; T1138-C1153 HydrophobicContact CG2-CB 3.54Å; T1138-I1157 HydrophobicContact CG2-CG2 3.86Å
1139	I	90.6	Very high	94.4	Very high	130 Å²	130	47.7 Å²	47.7	67%	0.667	28%	0.284	S	S	*	.			trans	-105.3	0.1	172.8	59.8	173	0	0	0	112.7	P1132	P1132-I1139 HydrophobicContact CB-CG2 4.09Å
1140	Q	87.1	Confident	94.7	Very high	127 Å²	127	50.6 Å²	50.6	59%	0.593	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	137.7	-179	-66.7	176.1	-18.5	0	0	111.4	T1138 N1142 I1157	T1138-Q1140 PolarHBondContact OG1-N 3.32Å; Q1140-N1142 VanDerWaalsContact C-N 3.3Å; Q1140-N1142 PolarHBondContact O-N 3.35Å; Q1140-I1157 HydrophobicContact CB-CD1 4.07Å; Q1140-I1157 HydrophobicContact CB-CG1 4.44Å
1141	E	91	Very high	94.9	Very high	59 Å²	59	45.8 Å²	45.8	28%	0.276	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.3	49.2	-174.2	-51.6	-162.2	149.2	0	0	114.5	C1153 G1154 I1157 I1177	E1141-C1153 CarbonylContact O-C 3.5Å; E1141-C1153 WeakPolarHBondContact O-CA 3.48Å; E1141-G1154 PolarHBondContact O-N 3.48Å; E1141-I1157 HydrophobicContact CB-CG1 3.67Å; E1141-I1157 HydrophobicContact CG-CD1 4.05Å; E1141-I1157 HydrophobicContact CG-CG1 3.67Å; E1141-I1177 HydrophobicContact CB-CD1 4.15Å; E1141-I1177 HydrophobicContact CG-CD1 3.84Å
1142	N	96.7	Very high	95.1	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.032	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	137.1	175.2	-76	-16.9	0	0	0	111.8	Q1131 P1132 C1133 T1138 Q1140 V1151 C1153 Y1176	Q1131-N1142 PolarHBondContact O-ND2 2.78Å; P1132-N1142 WeakPolarHBondContact CA-ND2 3.49Å; C1133-N1142 PolarHBondContact N-ND2 3.37Å; T1138-N1142 PolarHBondContact O-ND2 3.42Å; T1138-N1142 PolarHBondContact O-OD1 2.91Å; Q1140-N1142 VanDerWaalsContact C-N 3.3Å; Q1140-N1142 PolarHBondContact O-N 3.35Å; N1142-V1151 HydrophobicContact CB-CG1 3.83Å; N1142-C1153 WeakPolarHBondContact OD1-CA 3.42Å; N1142-C1153 PolarHBondContact OD1-N 3.27Å; N1142-Y1176 HydrophobicContact CB-CD2 4.32Å; N1142-Y1176 WeakPolarHBondContact O-CB 3.27Å; N1142-Y1176 PolarHBondContact O-N 3.1Å
1143	W	97.9	Very high	95.1	Very high	35 Å²	35	40.5 Å²	40.5	13%	0.133	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	152.8	174	-62.1	66.9	0	0	0	108.5	V1151 Y1152 G1154 M1161 V1173 L1174 S1175 W1182 Y1189	W1143-V1151 VanDerWaalsContact O-CA 3.32Å; W1143-V1151 WeakPolarHBondContact O-CA 3.14Å; W1143-Y1152 PolarHBondContact N-O 3.18Å; W1143-Y1152 PolarHBondContact O-N 3.27Å; W1143-G1154 VanDerWaalsContact CD1-CA 3.46Å; W1143-M1161 VanDerWaalsContact C-CE 3.43Å; W1143-M1161 HydrophobicContact CB-CB 4.42Å; W1143-M1161 HydrophobicContact CB-CE 3.86Å; W1143-M1161 HydrophobicContact CB-CG 4.01Å; W1143-M1161 WeakPolarHBondContact O-CE 3.41Å; W1143-V1173 HydrophobicContact CD2-CG2 4.38Å; W1143-V1173 HydrophobicContact CE3-CB 4Å; W1143-V1173 HydrophobicContact CE3-CG2 3.52Å; W1143-V1173 HydrophobicContact CZ3-CG2 3.94Å; W1143-L1174 CarbonylContact C-O 3.53Å; W1143-L1174 VanDerWaalsContact CA-O 3.26Å; W1143-L1174 WeakPolarHBondContact CA-O 3.33Å; W1143-S1175 VanDerWaalsContact CE3-N 3.35Å; W1143-W1182 HydrophobicContact CH2-CB 4.18Å; W1143-W1182 HydrophobicContact CZ3-CB 3.73Å; W1143-Y1189 HydrophobicContact CH2-CE1 4.4Å
1144	V	97.5	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.7	170.3	65	0	0	0	0	110.8	L1146 Y1149 V1151 V1173 L1174 Y1176	V1144-L1146 HydrophobicContact CG1-CD2 4.39Å; V1144-Y1149 HydrophobicContact CG2-CD1 3.92Å; V1144-V1151 HydrophobicContact CB-CG2 4.1Å; V1144-V1151 HydrophobicContact CG2-CG2 4.01Å; V1144-V1173 CarbonylContact O-C 3.57Å; V1144-V1173 WeakPolarHBondContact O-CA 3.38Å; V1144-L1174 HydrophobicContact CG1-CB 3.86Å; V1144-L1174 HydrophobicContact CG1-CD2 4.2Å; V1144-L1174 HydrophobicContact CG1-CG 4.36Å; V1144-L1174 PolarHBondContact N-O 2.8Å; V1144-L1174 PolarHBondContact O-N 2.89Å; V1144-Y1176 HydrophobicContact CB-CE1 3.87Å; V1144-Y1176 HydrophobicContact CB-CE2 4.32Å; V1144-Y1176 HydrophobicContact CG1-CD1 4.26Å; V1144-Y1176 HydrophobicContact CG1-CE1 3.45Å; V1144-Y1176 VanDerWaalsContact CG1-CE1 3.45Å
1145	C	97.4	Very high	94.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.3	176.2	176	0	0	0	0	110.9	S1147 C1148 Y1149 Q1150 M1161 H1170	C1145-S1147 PolarHBondContact O-N 3.01Å; C1145-C1148 PolarHBondContact O-N 3.33Å; C1145-Y1149 WeakPolarHBondContact O-CA 3.49Å; C1145-Y1149 PolarHBondContact O-N 3.02Å; C1145-Q1150 PolarHBondContact N-O 3.4Å; C1145-M1161 HydrophobicContact CB-CE 4.09Å; C1145-M1161 HydrophobicContact CB-SD 4.1Å; C1145-H1170 WeakPolarHBondContact SG-CB 3.44Å
1146	L	97.2	Very high	94.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-4.6	-174.9	-62.9	-172.6	0	0	0	114.3	V1119 C1120 V1144 Y1149 L1172 L1174 T1181 L1195 V1198	V1119-L1146 WeakPolarHBondContact CA-O 3.1Å; V1119-L1146 HydrophobicContact CG1-CB 4.41Å; V1119-L1146 HydrophobicContact CG2-CB 4.27Å; V1119-L1146 HydrophobicContact CG2-CD1 4.35Å; C1120-L1146 PolarHBondContact N-O 2.86Å; V1144-L1146 HydrophobicContact CG1-CD2 4.39Å; L1146-Y1149 HydrophobicContact CD2-CE1 4.23Å; L1146-L1172 HydrophobicContact CB-CB 4.24Å; L1146-L1172 HydrophobicContact CD1-CB 4.31Å; L1146-L1172 PolarHBondContact N-O 2.91Å; L1146-L1174 HydrophobicContact CD1-CB 4.36Å; L1146-L1174 HydrophobicContact CD2-CB 3.84Å; L1146-L1174 HydrophobicContact CG-CB 4.26Å; L1146-T1181 HydrophobicContact CD1-CG2 3.74Å; L1146-L1195 HydrophobicContact CD1-CD2 3.6Å; L1146-V1198 HydrophobicContact CD1-CG1 4.42Å; L1146-V1198 HydrophobicContact CD2-CG1 4.11Å; L1146-V1198 HydrophobicContact CD2-CG2 3.81Å
1147	S	96.4	Very high	94.2	Very high	17 Å²	17	47.8 Å²	47.8	12%	0.119	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-23.5	175.9	-54.7	0	0	0	0	114	A1118 C1120 C1145 H1170	A1118-S1147 WeakPolarHBondContact O-CA 3.24Å; A1118-S1147 WeakPolarHBondContact O-CB 3.41Å; A1118-S1147 PolarHBondContact O-OG 3.42Å; C1120-S1147 PolarHBondContact SG-O 2.96Å; C1120-S1147 VanDerWaalsContact SG-O 3.33Å; C1145-S1147 PolarHBondContact O-N 3.01Å; S1147-H1170 WeakPolarHBondContact CB-CD2 3.36Å
1148	C	95.9	Very high	94.1	Very high	45 Å²	45	50.3 Å²	50.3	30%	0.304	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.1	-4.4	-177.9	69.9	0	0	0	0	115.4	C1145 Q1150 H1164	C1145-C1148 PolarHBondContact O-N 3.33Å; C1148-Q1150 PolarHBondContact O-N 2.67Å; C1148-Q1150 VanDerWaalsContact O-N 3.15Å; C1148-Q1150 PolarHBondContact SG-OE1 2.75Å; C1148-H1164 PolarHBondContact SG-NE2 3.44Å
1149	Y	95.5	Very high	94.2	Very high	28 Å²	28	49.6 Å²	49.6	11%	0.11	23%	0.234	C	C	.	.			trans	56.7	23.3	-179.8	-64.3	-83.5	0	0	0	115.7	C1120 P1121 P1123 L1127 V1144 C1145 L1146 V1198	C1120-Y1149 HydrophobicContact CB-CE2 4.22Å; C1120-Y1149 WeakPolarHBondContact O-CE2 3.48Å; C1120-Y1149 PolarHBondContact O-OH 2.84Å; P1121-Y1149 WeakPolarHBondContact O-CE2 3.34Å; P1123-Y1149 HydrophobicContact CG-CD1 4.23Å; P1123-Y1149 HydrophobicContact CG-CD2 3.74Å; P1123-Y1149 HydrophobicContact CG-CE2 4.48Å; P1123-Y1149 HydrophobicContact CG-CG 3.58Å; L1127-Y1149 HydrophobicContact CD2-CD1 3.49Å; L1127-Y1149 VanDerWaalsContact CD2-CD1 3.49Å; L1127-Y1149 HydrophobicContact CD2-CE1 3.8Å; V1144-Y1149 HydrophobicContact CG2-CD1 3.92Å; C1145-Y1149 WeakPolarHBondContact O-CA 3.49Å; C1145-Y1149 PolarHBondContact O-N 3.02Å; L1146-Y1149 HydrophobicContact CD2-CE1 4.23Å; Y1149-V1198 HydrophobicContact CE1-CG2 3.84Å
1150	Q	96.8	Very high	94.5	Very high	85 Å²	85	44.9 Å²	44.9	40%	0.397	21%	0.21	S	C	.	.			trans	-77.2	144.8	166	-65.8	176.3	-41.8	0	0	110.5	C1145 C1148 Y1152 H1164	C1145-Q1150 PolarHBondContact N-O 3.4Å; C1148-Q1150 PolarHBondContact O-N 2.67Å; C1148-Q1150 VanDerWaalsContact O-N 3.15Å; C1148-Q1150 PolarHBondContact SG-OE1 2.75Å; Q1150-Y1152 HydrophobicContact CB-CD2 4.18Å; Q1150-Y1152 HydrophobicContact CB-CE2 3.46Å; Q1150-Y1152 VanDerWaalsContact CB-CE2 3.46Å; Q1150-Y1152 HydrophobicContact CG-CE2 4.47Å; Q1150-H1164 PolarHBondContact OE1-CE1 2.86Å; Q1150-H1164 VanDerWaalsContact OE1-CE1 3.28Å; Q1150-H1164 PolarHBondContact OE1-ND1 2.96Å; Q1150-H1164 PolarHBondContact OE1-NE2 3.03Å
1151	V	97.5	Very high	95	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.6	-175.3	178.8	0	0	0	0	110.3	Q1131 G1134 N1142 W1143 V1144 Y1176	Q1131-V1151 HydrophobicContact CB-CB 4.42Å; Q1131-V1151 HydrophobicContact CB-CG1 4.33Å; Q1131-V1151 HydrophobicContact CB-CG2 4.22Å; Q1131-V1151 HydrophobicContact CG-CB 4.11Å; Q1131-V1151 HydrophobicContact CG-CG1 4.4Å; Q1131-V1151 HydrophobicContact CG-CG2 4.18Å; Q1131-V1151 WeakPolarHBondContact O-CG1 3.33Å; G1134-V1151 PolarHBondContact N-O 3.34Å; N1142-V1151 HydrophobicContact CB-CG1 3.83Å; W1143-V1151 VanDerWaalsContact O-CA 3.32Å; W1143-V1151 WeakPolarHBondContact O-CA 3.14Å; V1144-V1151 HydrophobicContact CB-CG2 4.1Å; V1144-V1151 HydrophobicContact CG2-CG2 4.01Å; V1151-Y1176 HydrophobicContact CG1-CD2 4.41Å; V1151-Y1176 HydrophobicContact CG1-CE2 3.97Å; V1151-Y1176 HydrophobicContact CG2-CE2 3.84Å
1152	Y	97.9	Very high	95.2	Very high	24 Å²	24	39.6 Å²	39.6	9%	0.094	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.9	-177.6	-62.4	-78.1	0	0	0	111	D1135 W1143 Q1150 H1160 M1161 H1164	D1135-Y1152 WeakPolarHBondContact OD2-CD1 3.47Å; D1135-Y1152 WeakPolarHBondContact OD2-CE1 3.46Å; W1143-Y1152 PolarHBondContact N-O 3.18Å; W1143-Y1152 PolarHBondContact O-N 3.27Å; Q1150-Y1152 HydrophobicContact CB-CD2 4.18Å; Q1150-Y1152 HydrophobicContact CB-CE2 3.46Å; Q1150-Y1152 VanDerWaalsContact CB-CE2 3.46Å; Q1150-Y1152 HydrophobicContact CG-CE2 4.47Å; Y1152-H1160 HydrophobicContact CD1-CB 3.94Å; Y1152-H1160 HydrophobicContact CG-CB 4.31Å; Y1152-M1161 HydrophobicContact CD2-CE 3.93Å; Y1152-M1161 HydrophobicContact CD2-SD 4.12Å; Y1152-M1161 HydrophobicContact CG-CE 4.44Å; Y1152-H1164 HydrophobicContact CD2-CB 3.8Å; Y1152-H1164 AromaticContact CD2-CG 3.84Å; Y1152-H1164 HydrophobicContact CE2-CB 3.82Å; Y1152-H1164 AromaticContact CE2-CE1 3.09Å; Y1152-H1164 WeakPolarHBondContact CE2-CE1 3.38Å; Y1152-H1164 AromaticContact CE2-CG 3.54Å; Y1152-H1164 AromaticContact CE2-ND1 3.33Å; Y1152-H1164 VanDerWaalsContact CE2-ND1 3.33Å; Y1152-H1164 WeakPolarHBondContact CE2-ND1 3.47Å; Y1152-H1164 HydrophobicContact CG-CB 4.46Å; Y1152-H1164 AromaticContact CZ-CE1 3.39Å; Y1152-H1164 AromaticContact CZ-ND1 3.98Å; Y1152-H1164 PolarHBondContact OH-CE1 3.31Å
1153	C	96.6	Very high	95.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	151.2	179	67.1	0	0	0	0	112.6	C1133 T1138 E1141 N1142 I1157 H1160 M1161	C1133-C1153 HydrophobicContact CB-CB 4.04Å; C1133-C1153 PolarHBondContact SG-N 2.68Å; T1138-C1153 HydrophobicContact CG2-CB 3.54Å; E1141-C1153 CarbonylContact O-C 3.5Å; E1141-C1153 WeakPolarHBondContact O-CA 3.48Å; N1142-C1153 WeakPolarHBondContact OD1-CA 3.42Å; N1142-C1153 PolarHBondContact OD1-N 3.27Å; C1153-I1157 HydrophobicContact CB-CB 4.04Å; C1153-I1157 HydrophobicContact CB-CG2 3.88Å; C1153-H1160 PolarHBondContact SG-ND1 3.38Å; C1153-M1161 WeakPolarHBondContact O-CB 3.49Å; C1153-M1161 PolarHBondContact O-N 3.44Å
1154	G	91.6	Very high	95.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.			trans	-65.7	173.3	-177.2	0	0	0	0	0	114.8	E1141 W1143 Y1156 I1157 G1159	E1141-G1154 PolarHBondContact O-N 3.48Å; W1143-G1154 VanDerWaalsContact CD1-CA 3.46Å; G1154-Y1156 PolarHBondContact O-N 2.79Å; G1154-I1157 PolarHBondContact O-N 3.09Å; G1154-G1159 WeakPolarHBondContact O-CA 3.21Å; G1154-G1159 PolarHBondContact O-N 3.16Å
1155	R	89.6	Confident	95.1	Very high	136 Å²	136	45 Å²	45	51%	0.513	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.9	-176.3	70.8	178.7	-66.6	-179.1	0.5	114.3
1156	Y	85.1	Confident	94.9	Very high	174 Å²	174	48 Å²	48	68%	0.682	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-2	-178.3	-52.9	-63.7	0	0	0	113.8	G1154	G1154-Y1156 PolarHBondContact O-N 2.79Å
1157	I	92.4	Very high	94.8	Very high	55 Å²	55	54.1 Å²	54.1	28%	0.282	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-73.4	176.7	-62.4	-62.1	0	0	0	111.1	T1138 Q1140 E1141 C1153 G1154	T1138-I1157 HydrophobicContact CG2-CG2 3.86Å; Q1140-I1157 HydrophobicContact CB-CD1 4.07Å; Q1140-I1157 HydrophobicContact CB-CG1 4.44Å; E1141-I1157 HydrophobicContact CB-CG1 3.67Å; E1141-I1157 HydrophobicContact CG-CD1 4.05Å; E1141-I1157 HydrophobicContact CG-CG1 3.67Å; C1153-I1157 HydrophobicContact CB-CB 4.04Å; C1153-I1157 HydrophobicContact CB-CG2 3.88Å; G1154-I1157 PolarHBondContact O-N 3.09Å
1158	N	93.1	Very high	94.8	Very high	103 Å²	103	55.5 Å²	55.5	55%	0.551	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138	4.9	171.4	-68.2	-83.8	0	0	0	112.7	H1160	N1158-H1160 VanDerWaalsContact CB-CE1 3.43Å; N1158-H1160 WeakPolarHBondContact CB-CE1 3.11Å; N1158-H1160 PolarHBondContact O-N 3.11Å; N1158-H1160 VanDerWaalsContact O-N 3.15Å
1159	G	94.2	Very high	94.7	Very high	15 Å²	15	54.7 Å²	54.7	16%	0.155	29%	0.285	C	S	.	.			trans	72.3	3.5	173.9	0	0	0	0	0	116.9	G1154 M1161 L1162 Q1163	G1154-G1159 WeakPolarHBondContact O-CA 3.21Å; G1154-G1159 PolarHBondContact O-N 3.16Å; G1159-M1161 PolarHBondContact O-N 2.91Å; G1159-M1161 VanDerWaalsContact O-N 3.08Å; G1159-L1162 WeakPolarHBondContact O-CA 3.29Å; G1159-L1162 WeakPolarHBondContact O-CB 3.28Å; G1159-L1162 PolarHBondContact O-N 2.67Å; G1159-Q1163 PolarHBondContact O-N 2.86Å
1160	H	97.9	Very high	94.8	Very high	32 Å²	32	55.6 Å²	55.6	15%	0.148	29%	0.291	C	S	.	.	H	α-helix	trans	-54.3	-32.1	-177.4	-64.7	112.7	0	0	0	114.1	D1135 C1136 Y1152 C1153 N1158 Q1163 H1164	D1135-H1160 IonicContact OD2-CD2 3.28Å; D1135-H1160 PolarHBondContact OD2-CD2 3.2Å; D1135-H1160 VanDerWaalsContact OD2-CD2 3.27Å; D1135-H1160 IonicContact OD2-CG 3.78Å; C1136-H1160 VanDerWaalsContact SG-CE1 3.58Å; C1136-H1160 PolarHBondContact SG-ND1 3.22Å; Y1152-H1160 HydrophobicContact CD1-CB 3.94Å; Y1152-H1160 HydrophobicContact CG-CB 4.31Å; C1153-H1160 PolarHBondContact SG-ND1 3.38Å; N1158-H1160 VanDerWaalsContact CB-CE1 3.43Å; N1158-H1160 WeakPolarHBondContact CB-CE1 3.11Å; N1158-H1160 PolarHBondContact O-N 3.11Å; N1158-H1160 VanDerWaalsContact O-N 3.15Å; H1160-Q1163 PolarHBondContact O-N 2.98Å; H1160-H1164 VanDerWaalsContact O-CB 3.29Å; H1160-H1164 WeakPolarHBondContact O-CB 3.29Å; H1160-H1164 PolarHBondContact O-N 3.39Å
1161	M	97.6	Very high	94.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-70.1	-35	173.9	-172.8	54.8	83.2	0	0	113.2	W1143 C1145 Y1152 C1153 G1159 H1164 H1165 V1173 Y1184	W1143-M1161 VanDerWaalsContact C-CE 3.43Å; W1143-M1161 HydrophobicContact CB-CB 4.42Å; W1143-M1161 HydrophobicContact CB-CE 3.86Å; W1143-M1161 HydrophobicContact CB-CG 4.01Å; W1143-M1161 WeakPolarHBondContact O-CE 3.41Å; C1145-M1161 HydrophobicContact CB-CE 4.09Å; C1145-M1161 HydrophobicContact CB-SD 4.1Å; Y1152-M1161 HydrophobicContact CD2-CE 3.93Å; Y1152-M1161 HydrophobicContact CD2-SD 4.12Å; Y1152-M1161 HydrophobicContact CG-CE 4.44Å; C1153-M1161 WeakPolarHBondContact O-CB 3.49Å; C1153-M1161 PolarHBondContact O-N 3.44Å; G1159-M1161 PolarHBondContact O-N 2.91Å; G1159-M1161 VanDerWaalsContact O-N 3.08Å; M1161-H1164 PolarHBondContact O-N 3.36Å; M1161-H1164 HydrophobicContact SD-CB 4.27Å; M1161-H1165 PolarHBondContact O-N 3.36Å; M1161-V1173 HydrophobicContact CE-CG1 4.25Å; M1161-V1173 HydrophobicContact CG-CB 4.29Å; M1161-V1173 HydrophobicContact CG-CG1 3.64Å; M1161-V1173 HydrophobicContact SD-CG1 3.53Å; M1161-V1173 VanDerWaalsContact SD-CG1 3.53Å; M1161-Y1184 HydrophobicContact CG-CE2 4.37Å; M1161-Y1184 WeakPolarHBondContact CG-OH 3.4Å
1162	L	94.9	Very high	94.8	Very high	74 Å²	74	51.8 Å²	51.8	39%	0.387	27%	0.273	S	S	.	.	H	α-helix	trans	-70.4	-37.4	173.5	178.8	63.3	0	0	0	110.9	G1159 H1165 G1166 Y1184	G1159-L1162 WeakPolarHBondContact O-CA 3.29Å; G1159-L1162 WeakPolarHBondContact O-CB 3.28Å; G1159-L1162 PolarHBondContact O-N 2.67Å; L1162-H1165 WeakPolarHBondContact O-CB 3.44Å; L1162-H1165 PolarHBondContact O-N 2.81Å; L1162-G1166 PolarHBondContact O-N 3.21Å; L1162-Y1184 HydrophobicContact CD1-CD1 3.87Å; L1162-Y1184 HydrophobicContact CD1-CE1 3.67Å
1163	Q	96.2	Very high	94.8	Very high	105 Å²	105	50.7 Å²	50.7	49%	0.491	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-40.3	172.5	-168.2	-179.3	10.1	0	0	111.6	G1159 H1160 G1166 N1167	G1159-Q1163 PolarHBondContact O-N 2.86Å; H1160-Q1163 PolarHBondContact O-N 2.98Å; Q1163-G1166 PolarHBondContact O-N 2.86Å; Q1163-N1167 WeakPolarHBondContact O-CB 3.46Å; Q1163-N1167 PolarHBondContact O-N 2.75Å; Q1163-N1167 PolarHBondContact O-ND2 3.18Å
1164	H	97.4	Very high	94.8	Very high	25 Å²	25	50.7 Å²	50.7	12%	0.116	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-47.1	172.2	175	78.8	0	0	0	111.1	C1148 Q1150 Y1152 H1160 M1161 N1167 S1168 H1170	C1148-H1164 PolarHBondContact SG-NE2 3.44Å; Q1150-H1164 PolarHBondContact OE1-CE1 2.86Å; Q1150-H1164 VanDerWaalsContact OE1-CE1 3.28Å; Q1150-H1164 PolarHBondContact OE1-ND1 2.96Å; Q1150-H1164 PolarHBondContact OE1-NE2 3.03Å; Y1152-H1164 HydrophobicContact CD2-CB 3.8Å; Y1152-H1164 AromaticContact CD2-CG 3.84Å; Y1152-H1164 HydrophobicContact CE2-CB 3.82Å; Y1152-H1164 AromaticContact CE2-CE1 3.09Å; Y1152-H1164 WeakPolarHBondContact CE2-CE1 3.38Å; Y1152-H1164 AromaticContact CE2-CG 3.54Å; Y1152-H1164 AromaticContact CE2-ND1 3.33Å; Y1152-H1164 VanDerWaalsContact CE2-ND1 3.33Å; Y1152-H1164 WeakPolarHBondContact CE2-ND1 3.47Å; Y1152-H1164 HydrophobicContact CG-CB 4.46Å; Y1152-H1164 AromaticContact CZ-CE1 3.39Å; Y1152-H1164 AromaticContact CZ-ND1 3.98Å; Y1152-H1164 PolarHBondContact OH-CE1 3.31Å; H1160-H1164 VanDerWaalsContact O-CB 3.29Å; H1160-H1164 WeakPolarHBondContact O-CB 3.29Å; H1160-H1164 PolarHBondContact O-N 3.39Å; M1161-H1164 PolarHBondContact O-N 3.36Å; M1161-H1164 HydrophobicContact SD-CB 4.27Å; H1164-N1167 PolarHBondContact O-N 2.78Å; H1164-S1168 VanDerWaalsContact O-CB 3.31Å; H1164-S1168 WeakPolarHBondContact O-CB 3.41Å; H1164-S1168 PolarHBondContact O-N 3Å; H1164-S1168 PolarHBondContact O-OG 3.09Å; H1164-H1170 AromaticContact NE2-CE1 3.77Å; H1164-H1170 AromaticContact NE2-ND1 3.52Å
1165	H	96.6	Very high	95	Very high	25 Å²	25	50.9 Å²	50.9	12%	0.116	27%	0.271	C	S	.	.	H	α-helix	trans	-55.7	-51	172.3	167.2	65.3	0	0	0	111.7	M1161 L1162 N1167 S1168 G1169 H1170 Y1184 Y1185	M1161-H1165 PolarHBondContact O-N 3.36Å; L1162-H1165 WeakPolarHBondContact O-CB 3.44Å; L1162-H1165 PolarHBondContact O-N 2.81Å; H1165-N1167 VanDerWaalsContact C-N 3.3Å; H1165-N1167 PolarHBondContact O-N 3.16Å; H1165-S1168 PolarHBondContact O-N 3.39Å; H1165-G1169 WeakPolarHBondContact O-CA 3.41Å; H1165-G1169 PolarHBondContact O-N 3.15Å; H1165-H1170 PolarHBondContact ND1-O 3.49Å; H1165-Y1184 HydrophobicContact CB-CD2 3.5Å; H1165-Y1184 HydrophobicContact CB-CE2 3.67Å; H1165-Y1184 HydrophobicContact CB-CG 4.16Å; H1165-Y1184 AromaticContact CD2-CD2 3.99Å; H1165-Y1184 AromaticContact CD2-CG 3.76Å; H1165-Y1184 AromaticContact CG-CD2 3.41Å; H1165-Y1184 VanDerWaalsContact CG-CD2 3.41Å; H1165-Y1184 AromaticContact CG-CG 3.68Å; H1165-Y1184 AromaticContact ND1-CD2 3.73Å; H1165-Y1184 WeakPolarHBondContact NE2-CB 3.39Å; H1165-Y1185 AromaticContact CE1-CE1 3.86Å; H1165-Y1185 AromaticContact CE1-CZ 3.74Å
1166	G	93.3	Very high	95.3	Very high	62 Å²	62	45 Å²	45	64%	0.639	25%	0.248	S	C	*	.	H	α-helix	trans	-61	-34.3	179.3	0	0	0	0	0	114.2	L1162 Q1163	L1162-G1166 PolarHBondContact O-N 3.21Å; Q1163-G1166 PolarHBondContact O-N 2.86Å
1167	N	94.5	Very high	95.5	Very high	129 Å²	129	41.2 Å²	41.2	69%	0.69	24%	0.239	S	C	*	.	H	α-helix	trans	-80.5	-27.7	179.5	-72	-17.2	0	0	0	113.9	Q1163 H1164 H1165	Q1163-N1167 WeakPolarHBondContact O-CB 3.46Å; Q1163-N1167 PolarHBondContact O-N 2.75Å; Q1163-N1167 PolarHBondContact O-ND2 3.18Å; H1164-N1167 PolarHBondContact O-N 2.78Å; H1165-N1167 VanDerWaalsContact C-N 3.3Å; H1165-N1167 PolarHBondContact O-N 3.16Å
1168	S	95.6	Very high	95.4	Very high	46 Å²	46	43 Å²	43	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-114.3	-20	-170.5	64.6	0	0	0	0	115	H1164 H1165 H1170	H1164-S1168 VanDerWaalsContact O-CB 3.31Å; H1164-S1168 WeakPolarHBondContact O-CB 3.41Å; H1164-S1168 PolarHBondContact O-N 3Å; H1164-S1168 PolarHBondContact O-OG 3.09Å; H1165-S1168 PolarHBondContact O-N 3.39Å; S1168-H1170 WeakPolarHBondContact CB-ND1 3.48Å; S1168-H1170 PolarHBondContact O-N 2.95Å; S1168-H1170 WeakPolarHBondContact OG-CB 3.42Å; S1168-H1170 VanDerWaalsContact OG-CG 3.25Å; S1168-H1170 PolarHBondContact OG-N 3.35Å; S1168-H1170 PolarHBondContact OG-ND1 3.05Å; S1168-H1170 VanDerWaalsContact OG-ND1 3.1Å
1169	G	94.9	Very high	95.4	Very high	28 Å²	28	38.7 Å²	38.7	29%	0.289	23%	0.226	S	C	.	.			trans	72.2	2.5	-168.9	0	0	0	0	0	114.6	H1165 Y1185	H1165-G1169 WeakPolarHBondContact O-CA 3.41Å; H1165-G1169 PolarHBondContact O-N 3.15Å; G1169-Y1185 PolarHBondContact O-OH 3.28Å
1170	H	97.8	Very high	95.4	Very high	48 Å²	48	38.9 Å²	38.9	22%	0.222	23%	0.225	C	C	.	.			trans	-63.9	123	-178.6	-64.7	150.6	0	0	0	111.1	C1145 S1147 H1164 H1165 S1168	C1145-H1170 WeakPolarHBondContact SG-CB 3.44Å; S1147-H1170 WeakPolarHBondContact CB-CD2 3.36Å; H1164-H1170 AromaticContact NE2-CE1 3.77Å; H1164-H1170 AromaticContact NE2-ND1 3.52Å; H1165-H1170 PolarHBondContact ND1-O 3.49Å; S1168-H1170 WeakPolarHBondContact CB-ND1 3.48Å; S1168-H1170 PolarHBondContact O-N 2.95Å; S1168-H1170 WeakPolarHBondContact OG-CB 3.42Å; S1168-H1170 VanDerWaalsContact OG-CG 3.25Å; S1168-H1170 PolarHBondContact OG-N 3.35Å; S1168-H1170 PolarHBondContact OG-ND1 3.05Å; S1168-H1170 VanDerWaalsContact OG-ND1 3.1Å
1171	P	95.9	Very high	95.3	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.045	22%	0.218	C	C	.	.			trans	-95.6	-15.6	-159.3	36.7	-39.3	0	0	0	115.4	H1115 A1118 C1183 Y1184 Y1185	H1115-P1171 HydrophobicContact CB-CB 3.76Å; H1115-P1171 HydrophobicContact CB-CG 3.78Å; A1118-P1171 HydrophobicContact CB-CG 3.5Å; P1171-C1183 CarbonylContact O-C 3.41Å; P1171-C1183 VanDerWaalsContact O-CA 3.28Å; P1171-C1183 WeakPolarHBondContact O-CA 3.47Å; P1171-C1183 PolarHBondContact O-SG 3.25Å; P1171-Y1184 PolarHBondContact O-N 2.92Å; P1171-Y1185 HydrophobicContact CB-CD2 3.54Å; P1171-Y1185 HydrophobicContact CB-CE2 3.84Å
1172	L	97.6	Very high	95.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.8	-168.5	-80.5	167.1	0	0	0	111.5	H1115 L1116 V1119 L1146 T1181 W1182 C1183 V1190	H1115-L1172 HydrophobicContact CB-CD1 4.41Å; H1115-L1172 HydrophobicContact CB-CG 4.5Å; H1115-L1172 WeakPolarHBondContact O-CD1 3.5Å; L1116-L1172 HydrophobicContact CD2-CD1 4.14Å; L1116-L1172 HydrophobicContact CG-CD1 4.49Å; V1119-L1172 HydrophobicContact CG2-CD1 3.63Å; L1146-L1172 HydrophobicContact CB-CB 4.24Å; L1146-L1172 HydrophobicContact CD1-CB 4.31Å; L1146-L1172 PolarHBondContact N-O 2.91Å; L1172-T1181 HydrophobicContact CD2-CG2 4.07Å; L1172-W1182 WeakPolarHBondContact CA-O 3.38Å; L1172-C1183 HydrophobicContact CD2-CB 3.61Å; L1172-C1183 HydrophobicContact CG-CB 4.45Å; L1172-V1190 HydrophobicContact CD2-CG2 4.22Å
1173	V	97.8	Very high	95.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.4	-178.8	-65.7	0	0	0	0	111	W1143 V1144 M1161 T1181 W1182 Y1184	W1143-V1173 HydrophobicContact CD2-CG2 4.38Å; W1143-V1173 HydrophobicContact CE3-CB 4Å; W1143-V1173 HydrophobicContact CE3-CG2 3.52Å; W1143-V1173 HydrophobicContact CZ3-CG2 3.94Å; V1144-V1173 CarbonylContact O-C 3.57Å; V1144-V1173 WeakPolarHBondContact O-CA 3.38Å; M1161-V1173 HydrophobicContact CE-CG1 4.25Å; M1161-V1173 HydrophobicContact CG-CB 4.29Å; M1161-V1173 HydrophobicContact CG-CG1 3.64Å; M1161-V1173 HydrophobicContact SD-CG1 3.53Å; M1161-V1173 VanDerWaalsContact SD-CG1 3.53Å; V1173-T1181 CarbonylContact O-C 3.52Å; V1173-T1181 VanDerWaalsContact O-CA 3.25Å; V1173-T1181 WeakPolarHBondContact O-CA 3.24Å; V1173-T1181 WeakPolarHBondContact O-CG2 3.32Å; V1173-W1182 HydrophobicContact CG2-CB 3.96Å; V1173-W1182 PolarHBondContact N-O 2.95Å; V1173-W1182 PolarHBondContact O-N 3.38Å; V1173-Y1184 HydrophobicContact CB-CE2 4.42Å; V1173-Y1184 HydrophobicContact CG1-CD2 4.41Å; V1173-Y1184 HydrophobicContact CG1-CE2 3.7Å; V1173-Y1184 HydrophobicContact CG2-CD2 4.43Å; V1173-Y1184 HydrophobicContact CG2-CE2 3.74Å
1174	L	97.4	Very high	95.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.2	175.4	172.8	72.2	0	0	0	109.1	W1143 V1144 L1146 L1179 S1180 V1198 K1199 A1202	W1143-L1174 CarbonylContact C-O 3.53Å; W1143-L1174 VanDerWaalsContact CA-O 3.26Å; W1143-L1174 WeakPolarHBondContact CA-O 3.33Å; V1144-L1174 HydrophobicContact CG1-CB 3.86Å; V1144-L1174 HydrophobicContact CG1-CD2 4.2Å; V1144-L1174 HydrophobicContact CG1-CG 4.36Å; V1144-L1174 PolarHBondContact N-O 2.8Å; V1144-L1174 PolarHBondContact O-N 2.89Å; L1146-L1174 HydrophobicContact CD1-CB 4.36Å; L1146-L1174 HydrophobicContact CD2-CB 3.84Å; L1146-L1174 HydrophobicContact CG-CB 4.26Å; L1174-L1179 HydrophobicContact CD1-CB 4.41Å; L1174-L1179 WeakPolarHBondContact CD1-O 3.4Å; L1174-S1180 WeakPolarHBondContact CA-O 3.48Å; L1174-V1198 HydrophobicContact CD2-CG2 4.18Å; L1174-K1199 HydrophobicContact CD1-CG 3.88Å; L1174-A1202 HydrophobicContact CD2-CB 4Å
1175	S	95.6	Very high	95.1	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.028	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	139.1	174.1	157.7	0	0	0	0	110.8	W1143 I1177 D1178 L1179 S1180	W1143-S1175 VanDerWaalsContact CE3-N 3.35Å; S1175-I1177 PolarHBondContact OG-N 2.88Å; S1175-I1177 VanDerWaalsContact OG-N 3.09Å; S1175-D1178 WeakPolarHBondContact CB-OD1 3.32Å; S1175-D1178 PolarHBondContact OG-N 3.36Å; S1175-D1178 PolarHBondContact OG-OD1 2.84Å; S1175-L1179 VanDerWaalsContact O-CA 3.27Å; S1175-L1179 WeakPolarHBondContact O-CA 3.34Å; S1175-L1179 PolarHBondContact O-N 3.33Å; S1175-S1180 PolarHBondContact N-O 3.44Å
1176	Y	94.6	Very high	94.9	Very high	11 Å²	11	37.4 Å²	37.4	4%	0.043	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.5	172.1	-66.9	-27.5	0	0	0	113.6	D1128 V1129 N1142 V1144 V1151 K1206	D1128-Y1176 WeakPolarHBondContact O-CE2 3.41Å; D1128-Y1176 PolarHBondContact O-OH 3.27Å; V1129-Y1176 HydrophobicContact CB-CD1 4.27Å; V1129-Y1176 HydrophobicContact CB-CD2 4.33Å; V1129-Y1176 HydrophobicContact CB-CG 4.12Å; V1129-Y1176 HydrophobicContact CG1-CD1 3.9Å; V1129-Y1176 HydrophobicContact CG1-CE1 4Å; V1129-Y1176 HydrophobicContact CG1-CG 4.27Å; N1142-Y1176 HydrophobicContact CB-CD2 4.32Å; N1142-Y1176 WeakPolarHBondContact O-CB 3.27Å; N1142-Y1176 PolarHBondContact O-N 3.1Å; V1144-Y1176 HydrophobicContact CB-CE1 3.87Å; V1144-Y1176 HydrophobicContact CB-CE2 4.32Å; V1144-Y1176 HydrophobicContact CG1-CD1 4.26Å; V1144-Y1176 HydrophobicContact CG1-CE1 3.45Å; V1144-Y1176 VanDerWaalsContact CG1-CE1 3.45Å; V1151-Y1176 HydrophobicContact CG1-CD2 4.41Å; V1151-Y1176 HydrophobicContact CG1-CE2 3.97Å; V1151-Y1176 HydrophobicContact CG2-CE2 3.84Å; Y1176-K1206 PolarHBondContact O-NZ 2.89Å
1177	I	89.6	Confident	94.9	Very high	96 Å²	96	40.3 Å²	40.3	49%	0.492	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-56.4	175.5	-69.1	-172.6	0	0	0	111.3	E1141 S1175 K1206	E1141-I1177 HydrophobicContact CB-CD1 4.15Å; E1141-I1177 HydrophobicContact CG-CD1 3.84Å; S1175-I1177 PolarHBondContact OG-N 2.88Å; S1175-I1177 VanDerWaalsContact OG-N 3.09Å; I1177-K1206 PolarHBondContact O-NZ 3.38Å
1178	D	90	Very high	94.7	Very high	92 Å²	92	35.2 Å²	35.2	49%	0.492	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-1	-169.5	64.5	-21.3	0	0	0	113	S1175 S1180	S1175-D1178 WeakPolarHBondContact CB-OD1 3.32Å; S1175-D1178 PolarHBondContact OG-N 3.36Å; S1175-D1178 PolarHBondContact OG-OD1 2.84Å; D1178-S1180 PolarHBondContact O-N 3.35Å; D1178-S1180 VanDerWaalsContact O-N 3.14Å; D1178-S1180 PolarHBondContact OD1-N 3.08Å; D1178-S1180 PolarHBondContact OD1-OG 3.22Å; D1178-S1180 WeakPolarHBondContact OD2-CB 3.4Å; D1178-S1180 PolarHBondContact OD2-OG 3.11Å
1179	L	93.2	Very high	94.8	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	19%	0.185	C	C	.	.			trans	57	21.8	-174.4	-51	-178.3	0	0	0	113.5	L1174 S1175 K1199 A1202 H1203 F1207 M1211	L1174-L1179 HydrophobicContact CD1-CB 4.41Å; L1174-L1179 WeakPolarHBondContact CD1-O 3.4Å; S1175-L1179 VanDerWaalsContact O-CA 3.27Å; S1175-L1179 WeakPolarHBondContact O-CA 3.34Å; S1175-L1179 PolarHBondContact O-N 3.33Å; L1179-K1199 PolarHBondContact O-NZ 2.7Å; L1179-A1202 HydrophobicContact CD2-CB 3.64Å; L1179-H1203 HydrophobicContact CD1-CB 3.81Å; L1179-F1207 HydrophobicContact CD1-CE2 4.33Å; L1179-M1211 HydrophobicContact CB-CE 4.47Å; L1179-M1211 HydrophobicContact CD1-CE 3.69Å
1180	S	94.4	Very high	94.7	Very high	19 Å²	19	35.3 Å²	35.3	13%	0.133	17%	0.172	C	C	.	.			trans	-72.5	150.6	170.5	68.7	0	0	0	0	110.7	L1174 S1175 D1178 Y1189	L1174-S1180 WeakPolarHBondContact CA-O 3.48Å; S1175-S1180 PolarHBondContact N-O 3.44Å; D1178-S1180 PolarHBondContact O-N 3.35Å; D1178-S1180 VanDerWaalsContact O-N 3.14Å; D1178-S1180 PolarHBondContact OD1-N 3.08Å; D1178-S1180 PolarHBondContact OD1-OG 3.22Å; D1178-S1180 WeakPolarHBondContact OD2-CB 3.4Å; D1178-S1180 PolarHBondContact OD2-OG 3.11Å; S1180-Y1189 VanDerWaalsContact OG-CE1 3.31Å; S1180-Y1189 WeakPolarHBondContact OG-CE1 3.12Å
1181	T	96.7	Very high	94.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.6	179	-53.4	0	0	0	0	108.8	L1146 L1172 V1173 Y1189 V1190 L1195 K1199	L1146-T1181 HydrophobicContact CD1-CG2 3.74Å; L1172-T1181 HydrophobicContact CD2-CG2 4.07Å; V1173-T1181 CarbonylContact O-C 3.52Å; V1173-T1181 VanDerWaalsContact O-CA 3.25Å; V1173-T1181 WeakPolarHBondContact O-CA 3.24Å; V1173-T1181 WeakPolarHBondContact O-CG2 3.32Å; T1181-Y1189 CarbonylContact O-C 3.58Å; T1181-Y1189 VanDerWaalsContact O-CA 3.24Å; T1181-Y1189 WeakPolarHBondContact O-CA 3.48Å; T1181-V1190 PolarHBondContact O-N 2.98Å; T1181-L1195 HydrophobicContact CG2-CD1 3.85Å; T1181-L1195 HydrophobicContact CG2-CD2 4.11Å; T1181-K1199 WeakPolarHBondContact OG1-CE 3.4Å; T1181-K1199 PolarHBondContact OG1-NZ 2.9Å
1182	W	96.9	Very high	94.3	Very high	43 Å²	43	40.2 Å²	40.2	16%	0.163	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.1	-178.8	-178.8	-97.9	0	0	0	111	W1143 L1172 V1173 Y1184 Q1187 A1188 Y1189	W1143-W1182 HydrophobicContact CH2-CB 4.18Å; W1143-W1182 HydrophobicContact CZ3-CB 3.73Å; L1172-W1182 WeakPolarHBondContact CA-O 3.38Å; V1173-W1182 HydrophobicContact CG2-CB 3.96Å; V1173-W1182 PolarHBondContact N-O 2.95Å; V1173-W1182 PolarHBondContact O-N 3.38Å; W1182-Y1184 AromaticContact CD1-CD1 3.58Å; W1182-Y1184 AromaticContact CD1-CE1 3.7Å; W1182-Y1184 AromaticContact CD1-CG 3.98Å; W1182-Y1184 AromaticContact NE1-CD1 3.45Å; W1182-Y1184 AromaticContact NE1-CE1 3.82Å; W1182-Q1187 WeakPolarHBondContact CH2-O 3.33Å; W1182-Q1187 HydrophobicContact CZ2-CB 4.24Å; W1182-A1188 VanDerWaalsContact CE3-C 3.43Å; W1182-Y1189 HydrophobicContact CB-CD1 4.44Å; W1182-Y1189 HydrophobicContact CB-CE1 4.46Å; W1182-Y1189 AromaticContact CE3-CD1 3.85Å; W1182-Y1189 HydrophobicContact CE3-CD1 3.85Å; W1182-Y1189 AromaticContact CE3-CD2 3.88Å; W1182-Y1189 HydrophobicContact CE3-CD2 3.88Å; W1182-Y1189 AromaticContact CE3-CE1 3.85Å; W1182-Y1189 HydrophobicContact CE3-CE1 3.85Å; W1182-Y1189 AromaticContact CE3-CE2 3.9Å; W1182-Y1189 HydrophobicContact CE3-CE2 3.9Å; W1182-Y1189 AromaticContact CE3-CG 3.86Å; W1182-Y1189 HydrophobicContact CE3-CG 3.86Å; W1182-Y1189 AromaticContact CE3-CZ 3.9Å; W1182-Y1189 AromaticContact CZ3-CD2 3.84Å; W1182-Y1189 HydrophobicContact CZ3-CD2 3.84Å; W1182-Y1189 AromaticContact CZ3-CE2 3.83Å; W1182-Y1189 HydrophobicContact CZ3-CE2 3.83Å; W1182-Y1189 HydrophobicContact CZ3-CG 4.27Å
1183	C	96.8	Very high	93.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.3	171.9	-173.9	0	0	0	0	111.1	H1115 P1171 L1172 Y1185 C1186 Q1187 A1188 V1190	H1115-C1183 PolarHBondContact ND1-SG 3.04Å; H1115-C1183 VanDerWaalsContact ND1-SG 3.39Å; P1171-C1183 CarbonylContact O-C 3.41Å; P1171-C1183 VanDerWaalsContact O-CA 3.28Å; P1171-C1183 WeakPolarHBondContact O-CA 3.47Å; P1171-C1183 PolarHBondContact O-SG 3.25Å; L1172-C1183 HydrophobicContact CD2-CB 3.61Å; L1172-C1183 HydrophobicContact CG-CB 4.45Å; C1183-Y1185 PolarHBondContact O-N 3.14Å; C1183-C1186 HydrophobicContact CB-CB 4Å; C1183-C1186 PolarHBondContact O-N 2.81Å; C1183-Q1187 PolarHBondContact O-N 3.38Å; C1183-A1188 PolarHBondContact N-O 3.07Å; C1183-V1190 HydrophobicContact CB-CG2 3.77Å
1184	Y	94.6	Very high	93.5	Very high	17 Å²	17	49.3 Å²	49.3	7%	0.067	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-33.1	-176.8	-72.6	-64.9	0	0	0	113.8	M1161 L1162 H1165 P1171 V1173 W1182 Q1187	M1161-Y1184 HydrophobicContact CG-CE2 4.37Å; M1161-Y1184 WeakPolarHBondContact CG-OH 3.4Å; L1162-Y1184 HydrophobicContact CD1-CD1 3.87Å; L1162-Y1184 HydrophobicContact CD1-CE1 3.67Å; H1165-Y1184 HydrophobicContact CB-CD2 3.5Å; H1165-Y1184 HydrophobicContact CB-CE2 3.67Å; H1165-Y1184 HydrophobicContact CB-CG 4.16Å; H1165-Y1184 AromaticContact CD2-CD2 3.99Å; H1165-Y1184 AromaticContact CD2-CG 3.76Å; H1165-Y1184 AromaticContact CG-CD2 3.41Å; H1165-Y1184 VanDerWaalsContact CG-CD2 3.41Å; H1165-Y1184 AromaticContact CG-CG 3.68Å; H1165-Y1184 AromaticContact ND1-CD2 3.73Å; H1165-Y1184 WeakPolarHBondContact NE2-CB 3.39Å; P1171-Y1184 PolarHBondContact O-N 2.92Å; V1173-Y1184 HydrophobicContact CB-CE2 4.42Å; V1173-Y1184 HydrophobicContact CG1-CD2 4.41Å; V1173-Y1184 HydrophobicContact CG1-CE2 3.7Å; V1173-Y1184 HydrophobicContact CG2-CD2 4.43Å; V1173-Y1184 HydrophobicContact CG2-CE2 3.74Å; W1182-Y1184 AromaticContact CD1-CD1 3.58Å; W1182-Y1184 AromaticContact CD1-CE1 3.7Å; W1182-Y1184 AromaticContact CD1-CG 3.98Å; W1182-Y1184 AromaticContact NE1-CD1 3.45Å; W1182-Y1184 AromaticContact NE1-CE1 3.82Å; Y1184-Q1187 PolarHBondContact O-NE2 2.9Å
1185	Y	93.7	Very high	93.4	Very high	127 Å²	127	49.3 Å²	49.3	50%	0.498	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-25.8	175.8	-69.6	-51.9	0	0	0	113.7	H1115 H1165 G1169 P1171 C1183	H1115-Y1185 AromaticContact CD2-CD2 3.76Å; H1115-Y1185 WeakPolarHBondContact CE1-CB 3.45Å; H1115-Y1185 AromaticContact NE2-CD2 3.7Å; H1165-Y1185 AromaticContact CE1-CE1 3.86Å; H1165-Y1185 AromaticContact CE1-CZ 3.74Å; G1169-Y1185 PolarHBondContact O-OH 3.28Å; P1171-Y1185 HydrophobicContact CB-CD2 3.54Å; P1171-Y1185 HydrophobicContact CB-CE2 3.84Å; C1183-Y1185 PolarHBondContact O-N 3.14Å
1186	C	92.2	Very high	93.1	Very high	43 Å²	43	50.6 Å²	50.6	29%	0.291	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-9	176.5	-63.7	0	0	0	0	113.2	L1110 H1115 C1183 A1188	L1110-C1186 HydrophobicContact CD1-CB 4.22Å; H1115-C1186 PolarHBondContact ND1-SG 3.31Å; C1183-C1186 HydrophobicContact CB-CB 4Å; C1183-C1186 PolarHBondContact O-N 2.81Å; C1186-A1188 HydrophobicContact CB-CB 4.48Å; C1186-A1188 PolarHBondContact O-N 2.84Å
1187	Q	92.3	Very high	92.8	Very high	122 Å²	122	55.5 Å²	55.5	57%	0.57	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	42.1	-174.4	-64.8	-69.7	-37.8	0	0	112.6	W1182 C1183 Y1184	W1182-Q1187 WeakPolarHBondContact CH2-O 3.33Å; W1182-Q1187 HydrophobicContact CZ2-CB 4.24Å; C1183-Q1187 PolarHBondContact O-N 3.38Å; Y1184-Q1187 PolarHBondContact O-NE2 2.9Å
1188	A	92.2	Very high	92.9	Very high	22 Å²	22	51.1 Å²	51.1	18%	0.182	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	155.3	-174.2	0	0	0	0	0	111.8	L1110 W1182 C1183 C1186	L1110-A1188 HydrophobicContact CD1-CB 3.75Å; L1110-A1188 HydrophobicContact CG-CB 4.01Å; W1182-A1188 VanDerWaalsContact CE3-C 3.43Å; C1183-A1188 PolarHBondContact N-O 3.07Å; C1186-A1188 HydrophobicContact CB-CB 4.48Å; C1186-A1188 PolarHBondContact O-N 2.84Å
1189	Y	95.7	Very high	93.1	Very high	74 Å²	74	47.7 Å²	47.7	29%	0.29	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	151.7	165.1	-67.9	-75.3	0	0	0	111	V1107 P1109 L1110 W1143 S1180 T1181 W1182	V1107-Y1189 HydrophobicContact CG1-CD2 3.72Å; V1107-Y1189 HydrophobicContact CG1-CE2 4.19Å; P1109-Y1189 CarbonylContact C-O 3.53Å; P1109-Y1189 WeakPolarHBondContact CA-O 3.35Å; L1110-Y1189 PolarHBondContact N-O 2.97Å; W1143-Y1189 HydrophobicContact CH2-CE1 4.4Å; S1180-Y1189 VanDerWaalsContact OG-CE1 3.31Å; S1180-Y1189 WeakPolarHBondContact OG-CE1 3.12Å; T1181-Y1189 CarbonylContact O-C 3.58Å; T1181-Y1189 VanDerWaalsContact O-CA 3.24Å; T1181-Y1189 WeakPolarHBondContact O-CA 3.48Å; W1182-Y1189 HydrophobicContact CB-CD1 4.44Å; W1182-Y1189 HydrophobicContact CB-CE1 4.46Å; W1182-Y1189 AromaticContact CE3-CD1 3.85Å; W1182-Y1189 HydrophobicContact CE3-CD1 3.85Å; W1182-Y1189 AromaticContact CE3-CD2 3.88Å; W1182-Y1189 HydrophobicContact CE3-CD2 3.88Å; W1182-Y1189 AromaticContact CE3-CE1 3.85Å; W1182-Y1189 HydrophobicContact CE3-CE1 3.85Å; W1182-Y1189 AromaticContact CE3-CE2 3.9Å; W1182-Y1189 HydrophobicContact CE3-CE2 3.9Å; W1182-Y1189 AromaticContact CE3-CG 3.86Å; W1182-Y1189 HydrophobicContact CE3-CG 3.86Å; W1182-Y1189 AromaticContact CE3-CZ 3.9Å; W1182-Y1189 AromaticContact CZ3-CD2 3.84Å; W1182-Y1189 HydrophobicContact CZ3-CD2 3.84Å; W1182-Y1189 AromaticContact CZ3-CE2 3.83Å; W1182-Y1189 HydrophobicContact CZ3-CE2 3.83Å; W1182-Y1189 HydrophobicContact CZ3-CG 4.27Å
1190	V	94.3	Very high	92.9	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-131.2	134.6	-178.1	-174.6	0	0	0	0	110	L1110 C1113 L1116 L1172 T1181 C1183 H1192 L1195	L1110-V1190 WeakPolarHBondContact O-CA 3.35Å; C1113-V1190 HydrophobicContact CB-CG2 4.3Å; L1116-V1190 HydrophobicContact CD2-CG1 4.17Å; L1172-V1190 HydrophobicContact CD2-CG2 4.22Å; T1181-V1190 PolarHBondContact O-N 2.98Å; C1183-V1190 HydrophobicContact CB-CG2 3.77Å; V1190-H1192 HydrophobicContact CG1-CB 4.5Å; V1190-L1195 HydrophobicContact CB-CD1 4.24Å; V1190-L1195 HydrophobicContact CG1-CD1 3.94Å
1191	H	92.6	Very high	92.8	Very high	102 Å²	102	49.6 Å²	49.6	47%	0.472	25%	0.245	S	C	.	.			trans	-129.3	115.7	171.1	-176.6	112	0	0	0	108.3	P1109 L1110 P1111	P1109-H1191 HydrophobicContact CB-CB 3.8Å; P1109-H1191 HydrophobicContact CG-CB 4.41Å; L1110-H1191 PolarHBondContact O-N 2.99Å; P1111-H1191 CarbonylContact C-O 3.59Å; P1111-H1191 VanDerWaalsContact C-O 3.31Å; P1111-H1191 WeakPolarHBondContact CA-O 3.38Å; P1111-H1191 VanDerWaalsContact O-O 3.13Å
1192	H	92.8	Very high	92.6	Very high	57 Å²	57	49.5 Å²	49.5	26%	0.264	25%	0.245	S	C	.	.			trans	-154.2	151.6	-176.4	176.6	-102.3	0	0	0	110.3	P1111 W1112 L1116 V1190 A1194 L1195	P1111-H1192 WeakPolarHBondContact O-CB 3.39Å; P1111-H1192 PolarHBondContact O-CD2 3.37Å; P1111-H1192 VanDerWaalsContact O-CD2 3.26Å; W1112-H1192 AromaticContact CD1-NE2 3.85Å; L1116-H1192 HydrophobicContact CD1-CB 3.8Å; L1116-H1192 VanDerWaalsContact CD1-CG 3.49Å; L1116-H1192 WeakPolarHBondContact CD1-ND1 3.06Å; L1116-H1192 HydrophobicContact CD2-CB 4.14Å; V1190-H1192 HydrophobicContact CG1-CB 4.5Å; H1192-A1194 WeakPolarHBondContact ND1-CB 3.48Å; H1192-A1194 PolarHBondContact ND1-N 2.96Å; H1192-A1194 VanDerWaalsContact ND1-N 3.16Å; H1192-A1194 PolarHBondContact O-N 3.4Å; H1192-A1194 VanDerWaalsContact O-N 3.11Å; H1192-L1195 HydrophobicContact CB-CD1 4.48Å; H1192-L1195 WeakPolarHBondContact O-CB 3.47Å; H1192-L1195 PolarHBondContact O-N 3.3Å
1193	Q	88.9	Confident	92.4	Very high	139 Å²	139	48.4 Å²	48.4	65%	0.65	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-52.7	-37.6	-176.3	-166.9	66.2	23.6	0	0	113.7	L1195 L1196	Q1193-L1195 PolarHBondContact O-N 3.33Å; Q1193-L1195 VanDerWaalsContact O-N 3.11Å; Q1193-L1196 VanDerWaalsContact O-CB 3.27Å; Q1193-L1196 WeakPolarHBondContact O-CB 3.47Å; Q1193-L1196 PolarHBondContact O-N 3.3Å
1194	A	90	Very high	92.1	Very high	52 Å²	52	52.3 Å²	52.3	43%	0.43	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-67.7	-6.1	177.7	0	0	0	0	0	114.7	H1192	H1192-A1194 WeakPolarHBondContact ND1-CB 3.48Å; H1192-A1194 PolarHBondContact ND1-N 2.96Å; H1192-A1194 VanDerWaalsContact ND1-N 3.16Å; H1192-A1194 PolarHBondContact O-N 3.4Å; H1192-A1194 VanDerWaalsContact O-N 3.11Å
1195	L	93.5	Very high	91.9	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-99.7	-7.9	172.5	-58.3	172.8	0	0	0	112.3	L1116 V1119 L1146 T1181 V1190 H1192 Q1193 V1198 K1199	L1116-L1195 HydrophobicContact CD2-CD1 4.03Å; L1116-L1195 HydrophobicContact CD2-CD2 4.03Å; L1116-L1195 HydrophobicContact CD2-CG 3.88Å; V1119-L1195 HydrophobicContact CG2-CD2 3.86Å; L1146-L1195 HydrophobicContact CD1-CD2 3.6Å; T1181-L1195 HydrophobicContact CG2-CD1 3.85Å; T1181-L1195 HydrophobicContact CG2-CD2 4.11Å; V1190-L1195 HydrophobicContact CB-CD1 4.24Å; V1190-L1195 HydrophobicContact CG1-CD1 3.94Å; H1192-L1195 HydrophobicContact CB-CD1 4.48Å; H1192-L1195 WeakPolarHBondContact O-CB 3.47Å; H1192-L1195 PolarHBondContact O-N 3.3Å; Q1193-L1195 PolarHBondContact O-N 3.33Å; Q1193-L1195 VanDerWaalsContact O-N 3.11Å; L1195-V1198 VanDerWaalsContact O-CG1 3.28Å; L1195-V1198 WeakPolarHBondContact O-CG1 3.38Å; L1195-K1199 HydrophobicContact CB-CD 4.46Å; L1195-K1199 WeakPolarHBondContact O-CB 3.47Å; L1195-K1199 VanDerWaalsContact O-CG 3.31Å; L1195-K1199 WeakPolarHBondContact O-CG 3.46Å; L1195-K1199 PolarHBondContact O-N 2.95Å
1196	L	89.6	Confident	91.7	Very high	30 Å²	30	53.3 Å²	53.3	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-66.5	-46.6	-173	-170.6	62.7	0	0	0	111.6	Q1193 V1198 K1199 N1200	Q1193-L1196 VanDerWaalsContact O-CB 3.27Å; Q1193-L1196 WeakPolarHBondContact O-CB 3.47Å; Q1193-L1196 PolarHBondContact O-N 3.3Å; L1196-V1198 VanDerWaalsContact C-N 3.31Å; L1196-V1198 PolarHBondContact O-N 2.94Å; L1196-K1199 PolarHBondContact O-N 3.36Å; L1196-N1200 WeakPolarHBondContact CD1-OD1 3.27Å; L1196-N1200 WeakPolarHBondContact O-CB 3.02Å; L1196-N1200 PolarHBondContact O-N 2.92Å; L1196-N1200 PolarHBondContact O-OD1 3.17Å; L1196-N1200 VanDerWaalsContact O-OD1 3.07Å
1197	D	88.4	Confident	91.6	Very high	115 Å²	115	56.8 Å²	56.8	62%	0.615	28%	0.281	S	S	*	.	H	α-helix	trans	-58	-42.6	-179.6	-60.2	-17	0	0	0	112.2	I1122 N1200 I1201	I1122-D1197 HydrophobicContact CD1-CB 4.01Å; D1197-N1200 PolarHBondContact O-N 3.02Å; D1197-I1201 PolarHBondContact O-N 2.99Å; D1197-I1201 VanDerWaalsContact O-N 3.07Å
1198	V	92.1	Very high	91.4	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.018	29%	0.288	C	S	.	.	H	α-helix	trans	-76	-34.1	-178.4	70.5	0	0	0	0	112.2	I1122 L1127 L1146 Y1149 L1174 L1195 L1196 A1202	I1122-V1198 HydrophobicContact CD1-CB 3.87Å; I1122-V1198 HydrophobicContact CD1-CG2 4.29Å; I1122-V1198 HydrophobicContact CG1-CB 4.1Å; I1122-V1198 HydrophobicContact CG1-CG2 4.18Å; L1127-V1198 HydrophobicContact CD1-CG2 3.85Å; L1146-V1198 HydrophobicContact CD1-CG1 4.42Å; L1146-V1198 HydrophobicContact CD2-CG1 4.11Å; L1146-V1198 HydrophobicContact CD2-CG2 3.81Å; Y1149-V1198 HydrophobicContact CE1-CG2 3.84Å; L1174-V1198 HydrophobicContact CD2-CG2 4.18Å; L1195-V1198 VanDerWaalsContact O-CG1 3.28Å; L1195-V1198 WeakPolarHBondContact O-CG1 3.38Å; L1196-V1198 VanDerWaalsContact C-N 3.31Å; L1196-V1198 PolarHBondContact O-N 2.94Å; V1198-A1202 WeakPolarHBondContact O-CB 3.25Å; V1198-A1202 PolarHBondContact O-N 3.46Å; V1198-A1202 VanDerWaalsContact O-N 3.16Å
1199	K	93.3	Very high	91.3	Very high	20 Å²	20	59 Å²	59	9%	0.087	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-41.2	170.3	-77.7	179.1	-174.8	-110.7	0	112	L1174 L1179 T1181 L1195 L1196 A1202 H1203 M1211	L1174-K1199 HydrophobicContact CD1-CG 3.88Å; L1179-K1199 PolarHBondContact O-NZ 2.7Å; T1181-K1199 WeakPolarHBondContact OG1-CE 3.4Å; T1181-K1199 PolarHBondContact OG1-NZ 2.9Å; L1195-K1199 HydrophobicContact CB-CD 4.46Å; L1195-K1199 WeakPolarHBondContact O-CB 3.47Å; L1195-K1199 VanDerWaalsContact O-CG 3.31Å; L1195-K1199 WeakPolarHBondContact O-CG 3.46Å; L1195-K1199 PolarHBondContact O-N 2.95Å; L1196-K1199 PolarHBondContact O-N 3.36Å; K1199-A1202 PolarHBondContact O-N 3.29Å; K1199-H1203 WeakPolarHBondContact O-CB 3.43Å; K1199-H1203 PolarHBondContact O-N 3Å; K1199-M1211 HydrophobicContact CB-CE 3.8Å; K1199-M1211 HydrophobicContact CB-SD 4.3Å
1200	N	90.9	Very high	90.7	Very high	21 Å²	21	60.3 Å²	60.3	11%	0.112	32%	0.319	C	S	.	.	H	α-helix	trans	-65.7	-43.7	179.2	-72.5	15.9	0	0	0	111.3	L1196 D1197 A1202 H1203 Q1204 M1211	L1196-N1200 WeakPolarHBondContact CD1-OD1 3.27Å; L1196-N1200 WeakPolarHBondContact O-CB 3.02Å; L1196-N1200 PolarHBondContact O-N 2.92Å; L1196-N1200 PolarHBondContact O-OD1 3.17Å; L1196-N1200 VanDerWaalsContact O-OD1 3.07Å; D1197-N1200 PolarHBondContact O-N 3.02Å; N1200-A1202 VanDerWaalsContact C-N 3.32Å; N1200-A1202 PolarHBondContact O-N 3.31Å; N1200-H1203 WeakPolarHBondContact O-CB 3.23Å; N1200-H1203 PolarHBondContact O-N 3.12Å; N1200-Q1204 WeakPolarHBondContact O-CB 3.36Å; N1200-Q1204 WeakPolarHBondContact O-CG 3.25Å; N1200-Q1204 PolarHBondContact O-N 3.35Å; N1200-M1211 WeakPolarHBondContact OD1-CB 3.49Å
1201	I	91.8	Very high	90.2	Very high	50 Å²	50	62 Å²	62	26%	0.256	33%	0.327	S	S	.	.	H	α-helix	trans	-66.3	-33.8	176.4	-70.9	-174.7	0	0	0	111.9	I1122 L1127 D1197 N1205	I1122-I1201 HydrophobicContact CD1-CD1 3.84Å; I1122-I1201 HydrophobicContact CG2-CD1 4.32Å; L1127-I1201 HydrophobicContact CB-CG2 4.21Å; L1127-I1201 HydrophobicContact CD1-CG2 4.19Å; L1127-I1201 HydrophobicContact CG-CG2 3.99Å; D1197-I1201 PolarHBondContact O-N 2.99Å; D1197-I1201 VanDerWaalsContact O-N 3.07Å; I1201-N1205 WeakPolarHBondContact O-CB 3.18Å; I1201-N1205 PolarHBondContact O-N 3.43Å; I1201-N1205 VanDerWaalsContact O-N 3.14Å; I1201-N1205 PolarHBondContact O-ND2 2.79Å
1202	A	92.2	Very high	89.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-69.4	-39	171.7	0	0	0	0	0	112.3	L1127 V1129 L1174 L1179 V1198 K1199 N1200 N1205 K1206	L1127-A1202 HydrophobicContact CD1-CB 3.96Å; V1129-A1202 HydrophobicContact CG1-CB 4.19Å; L1174-A1202 HydrophobicContact CD2-CB 4Å; L1179-A1202 HydrophobicContact CD2-CB 3.64Å; V1198-A1202 WeakPolarHBondContact O-CB 3.25Å; V1198-A1202 PolarHBondContact O-N 3.46Å; V1198-A1202 VanDerWaalsContact O-N 3.16Å; K1199-A1202 PolarHBondContact O-N 3.29Å; N1200-A1202 VanDerWaalsContact C-N 3.32Å; N1200-A1202 PolarHBondContact O-N 3.31Å; A1202-N1205 PolarHBondContact O-N 2.91Å; A1202-K1206 WeakPolarHBondContact O-CB 3.27Å; A1202-K1206 PolarHBondContact O-N 3.16Å
1203	H	92.2	Very high	87.8	Confident	20 Å²	20	65.5 Å²	65.5	9%	0.093	35%	0.351	C	S	.	.	H	α-helix	trans	-64.1	-49.2	175.6	-166.8	-81.5	0	0	0	111.9	L1179 K1199 N1200 N1205 K1206 F1207 E1209 M1211	L1179-H1203 HydrophobicContact CD1-CB 3.81Å; K1199-H1203 WeakPolarHBondContact O-CB 3.43Å; K1199-H1203 PolarHBondContact O-N 3Å; N1200-H1203 WeakPolarHBondContact O-CB 3.23Å; N1200-H1203 PolarHBondContact O-N 3.12Å; H1203-N1205 VanDerWaalsContact C-N 3.31Å; H1203-N1205 PolarHBondContact O-N 2.79Å; H1203-K1206 PolarHBondContact O-N 3.38Å; H1203-F1207 AromaticContact CD2-CD2 3.59Å; H1203-F1207 AromaticContact CD2-CE2 3.87Å; H1203-F1207 AromaticContact CE1-CD2 3.78Å; H1203-F1207 AromaticContact CG-CD2 3.79Å; H1203-F1207 AromaticContact ND1-CD2 3.9Å; H1203-F1207 AromaticContact NE2-CD2 3.61Å; H1203-F1207 PolarHBondContact O-N 2.65Å; H1203-E1209 PolarHBondContact ND1-O 3.25Å; H1203-M1211 HydrophobicContact CB-CB 4.04Å; H1203-M1211 HydrophobicContact CB-CE 3.95Å; H1203-M1211 PolarHBondContact ND1-N 3.34Å
1204	Q	91.4	Very high	86	Confident	82 Å²	82	63.5 Å²	63.5	38%	0.383	35%	0.35	S	S	.	.	H	α-helix	trans	-56.5	-43.3	174.6	-73.8	177	1.4	0	0	111.8	N1200 K1206 G1208 E1209 D1210	N1200-Q1204 WeakPolarHBondContact O-CB 3.36Å; N1200-Q1204 WeakPolarHBondContact O-CG 3.25Å; N1200-Q1204 PolarHBondContact O-N 3.35Å; Q1204-K1206 VanDerWaalsContact C-N 3.32Å; Q1204-K1206 PolarHBondContact O-N 3.36Å; Q1204-G1208 VanDerWaalsContact O-CA 3.23Å; Q1204-G1208 WeakPolarHBondContact O-CA 3.46Å; Q1204-G1208 PolarHBondContact O-N 3.29Å; Q1204-E1209 WeakPolarHBondContact CA-O 3.36Å; Q1204-E1209 PolarHBondContact N-O 3.36Å; Q1204-D1210 PolarHBondContact NE2-OD1 3.06Å
1205	N	90.7	Very high	83.3	Confident	83 Å²	83	73.4 Å²	73.4	44%	0.444	39%	0.387	S	S	.	.	H	α-helix	trans	-65.3	-33.4	176.2	-93.5	-85.1	0	0	0	113.3	L1127 V1129 I1201 A1202 H1203	L1127-N1205 VanDerWaalsContact O-CG 3.28Å; L1127-N1205 PolarHBondContact O-ND2 3.32Å; L1127-N1205 PolarHBondContact O-OD1 2.94Å; V1129-N1205 HydrophobicContact CG1-CB 3.83Å; V1129-N1205 HydrophobicContact CG2-CB 4Å; I1201-N1205 WeakPolarHBondContact O-CB 3.18Å; I1201-N1205 PolarHBondContact O-N 3.43Å; I1201-N1205 VanDerWaalsContact O-N 3.14Å; I1201-N1205 PolarHBondContact O-ND2 2.79Å; A1202-N1205 PolarHBondContact O-N 2.91Å; H1203-N1205 VanDerWaalsContact C-N 3.31Å; H1203-N1205 PolarHBondContact O-N 2.79Å
1206	K	88.6	Confident	82.8	Confident	81 Å²	81	77.1 Å²	77.1	35%	0.352	41%	0.406	S	S	.	.	H	α-helix	trans	-87.3	-37.4	-174.5	-172.5	165.8	-175.9	165.9	0	113.9	V1129 Y1176 I1177 A1202 H1203 Q1204	V1129-K1206 HydrophobicContact CG2-CB 4.19Å; Y1176-K1206 PolarHBondContact O-NZ 2.89Å; I1177-K1206 PolarHBondContact O-NZ 3.38Å; A1202-K1206 WeakPolarHBondContact O-CB 3.27Å; A1202-K1206 PolarHBondContact O-N 3.16Å; H1203-K1206 PolarHBondContact O-N 3.38Å; Q1204-K1206 VanDerWaalsContact C-N 3.32Å; Q1204-K1206 PolarHBondContact O-N 3.36Å
1207	F	89.2	Confident	82.4	Confident	117 Å²	117	79.5 Å²	79.5	51%	0.513	42%	0.419	S	S	.	.	H	α-helix	trans	-120.4	-11.7	-170.3	-56	-68.9	0	0	0	113.6	L1179 H1203 E1209	L1179-F1207 HydrophobicContact CD1-CE2 4.33Å; H1203-F1207 AromaticContact CD2-CD2 3.59Å; H1203-F1207 AromaticContact CD2-CE2 3.87Å; H1203-F1207 AromaticContact CE1-CD2 3.78Å; H1203-F1207 AromaticContact CG-CD2 3.79Å; H1203-F1207 AromaticContact ND1-CD2 3.9Å; H1203-F1207 AromaticContact NE2-CD2 3.61Å; H1203-F1207 PolarHBondContact O-N 2.65Å; F1207-E1209 VanDerWaalsContact C-N 3.32Å; F1207-E1209 HydrophobicContact CB-CG 4.27Å
1208	G	89.2	Confident	82.1	Confident	70 Å²	70	77.6 Å²	77.6	72%	0.722	41%	0.408	S	S	*	.	S	Bend	trans	83	2.4	179.8	0	0	0	0	0	115.1	Q1204	Q1204-G1208 VanDerWaalsContact O-CA 3.23Å; Q1204-G1208 WeakPolarHBondContact O-CA 3.46Å; Q1204-G1208 PolarHBondContact O-N 3.29Å
1209	E	89.1	Confident	81.5	Confident	120 Å²	120	81.9 Å²	81.9	56%	0.561	43%	0.431	S	S	*	.	S	Bend	trans	-135.8	161.3	-175.8	62.9	179.3	-169	0	0	112.7	H1203 Q1204 F1207	H1203-E1209 PolarHBondContact ND1-O 3.25Å; Q1204-E1209 WeakPolarHBondContact CA-O 3.36Å; Q1204-E1209 PolarHBondContact N-O 3.36Å; F1207-E1209 VanDerWaalsContact C-N 3.32Å; F1207-E1209 HydrophobicContact CB-CG 4.27Å
1210	D	84.4	Confident	80.7	Confident	102 Å²	102	85.8 Å²	85.8	55%	0.545	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-61.8	146.7	172.7	-79.2	-56.9	0	0	0	111.7	Q1204	Q1204-D1210 PolarHBondContact NE2-OD1 3.06Å
1211	M	83.7	Confident	80.1	Confident	38 Å²	38	90.1 Å²	90.1	19%	0.187	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-64.1	130.3	173.8	-176	173.1	-73.4	0	0	109.7	L1179 K1199 N1200 H1203 H1213	L1179-M1211 HydrophobicContact CB-CE 4.47Å; L1179-M1211 HydrophobicContact CD1-CE 3.69Å; K1199-M1211 HydrophobicContact CB-CE 3.8Å; K1199-M1211 HydrophobicContact CB-SD 4.3Å; N1200-M1211 WeakPolarHBondContact OD1-CB 3.49Å; H1203-M1211 HydrophobicContact CB-CB 4.04Å; H1203-M1211 HydrophobicContact CB-CE 3.95Å; H1203-M1211 PolarHBondContact ND1-N 3.34Å; M1211-H1213 PolarHBondContact O-N 2.96Å; M1211-H1213 VanDerWaalsContact O-N 3.15Å
1212	P	76	Confident	79.2	Confident	93 Å²	93	93 Å²	93	60%	0.604	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-53.2	121.9	174.2	-27.3	35	0	0	0	110.9	P1214	P1212-P1214 WeakPolarHBondContact O-CD 3.39Å
1213	H	58.5	Low	78.2	Confident	139 Å²	139	100.2 Å²	100.2	64%	0.644	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-67	124.4	177.6	-70.8	-29.4	0	0	0	110.1	M1211	M1211-H1213 PolarHBondContact O-N 2.96Å; M1211-H1213 VanDerWaalsContact O-N 3.15Å
1214	P	50.6	Low	77.1	Confident	96 Å²	96	106.8 Å²	106.8	62%	0.623	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-65.8	141	166.2	29	-33.1	0	0	0	109.7	P1212	P1212-P1214 WeakPolarHBondContact O-CD 3.39Å
1215	H	33.6	Very low	75.8	Confident	261 Å²	261	109.1 Å²	109.1	100%	1.208	58%	0.582	S	S	*	*			trans	-94.2	0	172.9	-89.9	-46.8	0	0	0	111.6

Retrieved 1,215 of 1,215 residues in 881.1 ms (Link to these results)

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