A0A5K4F2L7_SCHMA Loading...

Calpain catalytic domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2L7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 803 aa.

						>A0A5K4F2L7_SCHMA|A0A5K4F2L7
MHEYVFAQFLHESISNQLIDMRRKKQNSDSETECNGVPLNYLDILKPTLTEKRVQFNLNIPCSITPKGYAKLHEKLTSPCIPHSKGKADSMADRVYRQIFLYCTNSLNGFTHSSKSETTYASPTAMRKIKISQYEIISAKMVEAKELYQDPEFPANDASIGNLPHVSGRVEWKRPKDINPLAAFCTKSYSRFDVDQGALGDCWFASVMATVTKYPSLMSNIIPPNQTFKGSGYTGAFVFNFWRFGEWVEVVVDDRIPVVKGTCNPVFIHSTDNSEFWSCLLEKAYAKLCGSYAHLTGGFQSEAMEDFTGGICTTLILNKKERPPNLLKMMEHYTKTCCVMGADVGGDKNKRREELGLIGSHAYSVTGVGKVNYMGKDVYLVRCRNPWGERHEWKGPWSDNSPEWKDVKSKDKRALQYKPKEDGEFWMSFQDFEDYFSLLEVCHFGYSSLDCKDEIDKKKRCEEICFLGEWVANVNAGGSRDYPESFCTNPQYLFTIGTDNSGKVGKAHIIVGVMQEHRRFLYGGEYLAIGFSIFEVSELQNTRLTPEELLCRKPLLTSDYIPRREVTLEADLFPGTFILIPSTYNSNQEARYICRVFSTVKMKQLELDEENSYEGFPKSTMDALQSMMLKELASLELNFKQLCNPVTEKINSRILGTILDQSNFGEYMDGFTEFPSNLCSSLISSASTNLTGQIDLEEYLYLLIDLKGWMLTFNKYDDRKGCVSWFKFRDLLKSSGYKVSNRVFSVLAHRHIDHKRGHISLESYLHCMANLKFAFDVTSYHPKSDKGILMFNKEDYLRLSLST
					

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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	34.3	Very low	36.2	Very low	215 Å²	215	150.1 Å²	150.1	100%	1.059	72%	0.723	S	S	*	*				0	-42	0	-95.1	-164.9	-83.7	0	0	113.3	E3 Y4	M1-E3 PolarHBondContact O-N 3.16Å; M1-Y4 PolarHBondContact O-N 3.19Å
2	H	33.5	Very low	36	Very low	183 Å²	183	150.2 Å²	150.2	85%	0.847	72%	0.722	S	S	*	*	H	α-helix	trans	-66.7	-24.3	-178	-94.4	-80.9	0	0	0	116.1
3	E	38.4	Very low	36	Very low	185 Å²	185	145.8 Å²	145.8	86%	0.864	72%	0.717	S	S	*	*	H	α-helix	trans	-80.6	-19.4	175.2	-71.4	178.7	157.6	0	0	113.7	M1	M1-E3 PolarHBondContact O-N 3.16Å
4	Y	39.2	Very low	36.1	Very low	193 Å²	193	142.5 Å²	142.5	76%	0.757	70%	0.702	S	S	*	*	H	α-helix	trans	-81.5	-28.1	-176.5	-126.8	-95.1	0	0	0	112.9	M1	M1-Y4 PolarHBondContact O-N 3.19Å
5	V	36.3	Very low	36.5	Very low	96 Å²	96	137.3 Å²	137.3	58%	0.582	69%	0.685	S	S	*	*	H	α-helix	trans	-83.1	-29.9	-174.7	-179.4	0	0	0	0	112.4	A7 Q8 F9	V5-A7 VanDerWaalsContact C-N 3.34Å; V5-A7 PolarHBondContact O-N 3.44Å; V5-Q8 PolarHBondContact O-N 3.27Å; V5-F9 PolarHBondContact O-N 2.78Å
6	F	34.3	Very low	36.4	Very low	158 Å²	158	136.4 Å²	136.4	69%	0.693	68%	0.683	S	S	*	*	H	α-helix	trans	-72.5	-28.8	-178.7	-150.4	-97.9	0	0	0	112.7	L10	F6-L10 HydrophobicContact CD1-CD1 4.05Å; F6-L10 HydrophobicContact CE1-CD1 3.81Å
7	A	39.5	Very low	36.4	Very low	68 Å²	68	137.5 Å²	137.5	56%	0.562	69%	0.686	S	S	*	*	H	α-helix	trans	-72	-31	176.2	0	0	0	0	0	113.1	V5	V5-A7 VanDerWaalsContact C-N 3.34Å; V5-A7 PolarHBondContact O-N 3.44Å
8	Q	36.3	Very low	36.5	Very low	142 Å²	142	133.2 Å²	133.2	66%	0.664	67%	0.665	S	S	*	*	H	α-helix	trans	-78.2	-38.7	179.5	-106.7	177.1	-25.2	0	0	112.7	V5 L10 H11	V5-Q8 PolarHBondContact O-N 3.27Å; Q8-L10 PolarHBondContact O-N 3.28Å; Q8-H11 VanDerWaalsContact O-CB 3.31Å; Q8-H11 WeakPolarHBondContact O-CB 3.08Å; Q8-H11 PolarHBondContact O-N 3.49Å; Q8-H11 VanDerWaalsContact O-N 3.11Å
9	F	32.8	Very low	36.5	Very low	170 Å²	170	131 Å²	131	75%	0.746	66%	0.655	S	S	*	*	H	α-helix	trans	-72	-30.5	-174	-149	-91.4	0	0	0	113.6	V5 H11	V5-F9 PolarHBondContact O-N 2.78Å; F9-H11 PolarHBondContact O-N 3.23Å
10	L	33.6	Very low	36.5	Very low	107 Å²	107	130.1 Å²	130.1	56%	0.56	65%	0.652	S	S	*	*	H	α-helix	trans	-71	-18.4	172.2	-89.5	157.1	0	0	0	113	F6 Q8	F6-L10 HydrophobicContact CD1-CD1 4.05Å; F6-L10 HydrophobicContact CE1-CD1 3.81Å; Q8-L10 PolarHBondContact O-N 3.28Å
11	H	40.1	Very low	36.3	Very low	134 Å²	134	129.9 Å²	129.9	62%	0.62	65%	0.65	S	S	*	*	H	α-helix	trans	-84.5	-31.9	-171.3	-145.6	-82.4	0	0	0	113.3	Q8 F9	Q8-H11 VanDerWaalsContact O-CB 3.31Å; Q8-H11 WeakPolarHBondContact O-CB 3.08Å; Q8-H11 PolarHBondContact O-N 3.49Å; Q8-H11 VanDerWaalsContact O-N 3.11Å; F9-H11 PolarHBondContact O-N 3.23Å
12	E	34.4	Very low	36.4	Very low	151 Å²	151	128 Å²	128	71%	0.706	63%	0.632	S	S	*	*	H	α-helix	trans	-83.8	-37	-176.1	-74.9	-172.4	155.8	0	0	113.7	I14 S15	E12-I14 VanDerWaalsContact C-N 3.32Å; E12-I14 PolarHBondContact O-N 3.46Å; E12-S15 PolarHBondContact O-N 3.37Å
13	S	35.7	Very low	36.4	Very low	94 Å²	94	128.6 Å²	128.6	66%	0.657	63%	0.626	S	S	*	*	H	α-helix	trans	-66.9	-31.2	-173.6	-171.6	0	0	0	0	113.5
14	I	37.1	Very low	36.2	Very low	99 Å²	99	128.6 Å²	128.6	51%	0.508	62%	0.624	S	S	.	*	H	α-helix	trans	-86.7	-21.3	-175.9	-59.9	175.6	0	0	0	112	E12 N16 L18	E12-I14 VanDerWaalsContact C-N 3.32Å; E12-I14 PolarHBondContact O-N 3.46Å; I14-N16 PolarHBondContact O-N 3.24Å; I14-L18 HydrophobicContact CG2-CD1 4.15Å
15	S	41.8	Very low	35.9	Very low	64 Å²	64	128.1 Å²	128.1	45%	0.448	63%	0.625	S	S	.	*	H	α-helix	trans	-64	-39.3	-176.4	-162.9	0	0	0	0	112.7	E12 Q17 L18	E12-S15 PolarHBondContact O-N 3.37Å; S15-Q17 PolarHBondContact O-N 3.42Å; S15-L18 PolarHBondContact O-N 2.78Å
16	N	35.9	Very low	35.7	Very low	123 Å²	123	131.4 Å²	131.4	66%	0.658	64%	0.635	S	S	*	*	H	α-helix	trans	-70.7	-26.8	-174.1	-74.1	-27.1	0	0	0	114.1	I14	I14-N16 PolarHBondContact O-N 3.24Å
17	Q	35.6	Very low	35.5	Very low	155 Å²	155	131.3 Å²	131.3	72%	0.724	64%	0.641	S	S	*	*	H	α-helix	trans	-79.7	-19.3	-179.9	-74.1	-173.5	-12.5	0	0	113.8	S15	S15-Q17 PolarHBondContact O-N 3.42Å
18	L	37.6	Very low	34.9	Very low	60 Å²	60	132.2 Å²	132.2	31%	0.314	64%	0.643	S	S	.	*	H	α-helix	trans	-96.7	-20.8	-173.2	-79.6	161.8	0	0	0	114.1	I14 S15 D20 M21 R22	I14-L18 HydrophobicContact CG2-CD1 4.15Å; S15-L18 PolarHBondContact O-N 2.78Å; L18-D20 VanDerWaalsContact C-N 3.28Å; L18-D20 PolarHBondContact O-N 3.4Å; L18-M21 HydrophobicContact CD2-CE 3.49Å; L18-M21 VanDerWaalsContact CD2-CE 3.49Å; L18-M21 HydrophobicContact CG-CE 4.46Å; L18-M21 PolarHBondContact O-N 3.39Å; L18-R22 PolarHBondContact O-N 3.05Å
19	I	38	Very low	34.6	Very low	92 Å²	92	132.5 Å²	132.5	47%	0.472	65%	0.649	S	S	.	*	H	α-helix	trans	-62.3	-38.3	173.7	-65.9	171.3	0	0	0	110.4	M21 R23	I19-M21 PolarHBondContact O-N 3.32Å; I19-R23 PolarHBondContact O-N 3.47Å
20	D	34.9	Very low	34.4	Very low	113 Å²	113	129.8 Å²	129.8	60%	0.604	65%	0.652	S	S	*	*	H	α-helix	trans	-71	-28.9	177.8	-93.6	-9.4	0	0	0	113.8	L18	L18-D20 VanDerWaalsContact C-N 3.28Å; L18-D20 PolarHBondContact O-N 3.4Å
21	M	34.1	Very low	34	Very low	125 Å²	125	132.9 Å²	132.9	62%	0.616	66%	0.663	S	S	*	*	H	α-helix	trans	-78.3	-28.5	178.3	-75.5	-154.2	-74.4	0	0	113.2	L18 I19	L18-M21 HydrophobicContact CD2-CE 3.49Å; L18-M21 VanDerWaalsContact CD2-CE 3.49Å; L18-M21 HydrophobicContact CG-CE 4.46Å; L18-M21 PolarHBondContact O-N 3.39Å; I19-M21 PolarHBondContact O-N 3.32Å
22	R	34.5	Very low	33.3	Very low	176 Å²	176	133 Å²	133	66%	0.664	67%	0.674	S	S	*	*	H	α-helix	trans	-82.5	-29.4	-179.1	-79.8	-176.2	173.5	172.2	-1.6	113.8	L18 K24 K25	L18-R22 PolarHBondContact O-N 3.05Å; R22-K24 PolarHBondContact O-N 2.84Å; R22-K25 PolarHBondContact O-N 3.23Å; R22-K25 VanDerWaalsContact O-N 3.16Å
23	R	35	Very low	33	Very low	195 Å²	195	131.9 Å²	131.9	74%	0.736	67%	0.668	S	S	*	*	H	α-helix	trans	-59.7	-26.2	170.2	-78.6	-175.6	174	177.3	-1.2	113.1	I19	I19-R23 PolarHBondContact O-N 3.47Å
24	K	34.1	Very low	32.7	Very low	186 Å²	186	133.2 Å²	133.2	81%	0.809	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-13.9	179.1	-72	-174.1	178.1	178	0	114.8	R22	R22-K24 PolarHBondContact O-N 2.84Å
25	K	32.8	Very low	32.4	Very low	182 Å²	182	134.8 Å²	134.8	79%	0.791	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	1	-171	-130.6	-177.6	-177.9	-174.4	0	115.1	R22	R22-K25 PolarHBondContact O-N 3.23Å; R22-K25 VanDerWaalsContact O-N 3.16Å
26	Q	31.9	Very low	32.5	Very low	166 Å²	166	134.7 Å²	134.7	78%	0.776	70%	0.695	S	S	*	*			trans	-95	15.5	176.4	-86.1	-178.1	-35.3	0	0	114.1
27	N	29	Very low	32.7	Very low	155 Å²	155	131.5 Å²	131.5	83%	0.829	68%	0.68	S	S	*	*	S	Bend	trans	-105.8	61.4	168.3	-78.4	-5.8	0	0	0	110.5
28	S	28.3	Very low	33.2	Very low	87 Å²	87	126 Å²	126	61%	0.608	66%	0.658	S	S	*	*	S	Bend	trans	-170.1	127.2	159.1	55.9	0	0	0	0	110.2
29	D	30	Very low	34	Very low	148 Å²	148	131.7 Å²	131.7	79%	0.791	69%	0.688	S	S	*	*	S	Bend	trans	88.2	86.2	158.8	-50.7	-23.2	0	0	0	117.9
30	S	27.4	Very low	34.9	Very low	114 Å²	114	130.2 Å²	130.2	80%	0.797	68%	0.681	S	S	*	*			trans	37.7	97.8	141.5	60.3	0	0	0	0	117.9	T32	S30-T32 PolarHBondContact O-N 2.99Å
31	E	25.7	Very low	36.1	Very low	172 Å²	172	127 Å²	127	80%	0.804	66%	0.66	S	S	*	*			trans	-59.7	106.5	165.3	-64.9	168.4	157.3	0	0	111.5	E33	E31-E33 HydrophobicContact CB-CG 4.28Å
32	T	26.3	Very low	37.2	Very low	136 Å²	136	123.8 Å²	123.8	83%	0.834	65%	0.645	S	S	*	*			trans	-88.5	88.4	140.7	41	0	0	0	0	106.8	S30 C34	S30-T32 PolarHBondContact O-N 2.99Å; T32-C34 PolarHBondContact O-N 3.28Å
33	E	26.4	Very low	38.5	Very low	128 Å²	128	119 Å²	119	60%	0.598	63%	0.633	S	S	*	*			trans	-54.5	120.1	166.7	-71.1	-178	142.1	0	0	108.8	E31 N35	E31-E33 HydrophobicContact CB-CG 4.28Å; E33-N35 PolarHBondContact O-N 2.62Å; E33-N35 PolarHBondContact OE2-ND2 2.91Å
34	C	29.5	Very low	39.5	Very low	121 Å²	121	110.8 Å²	110.8	82%	0.818	60%	0.603	S	S	*	*			trans	-68.6	63.7	162.1	-77.4	0	0	0	0	109.7	T32 G36	T32-C34 PolarHBondContact O-N 3.28Å; C34-G36 PolarHBondContact O-N 3.49Å
35	N	30.8	Very low	40.4	Very low	132 Å²	132	103 Å²	103	71%	0.706	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	93.2	166.3	-77.3	-32.1	0	0	0	107.7	E33	E33-N35 PolarHBondContact O-N 2.62Å; E33-N35 PolarHBondContact OE2-ND2 2.91Å
36	G	43.9	Very low	41.6	Very low	63 Å²	63	100.2 Å²	100.2	65%	0.649	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	165.1	-0.8	173	0	0	0	0	0	118.7	C34 P38	C34-G36 PolarHBondContact O-N 3.49Å; G36-P38 WeakPolarHBondContact O-CD 3.36Å
37	V	41.2	Very low	42.6	Very low	55 Å²	55	95.5 Å²	95.5	33%	0.333	54%	0.542	S	S	.	.			trans	-77.1	110.2	170.1	-171.5	0	0	0	0	107.7	L76 T77	V37-L76 HydrophobicContact CG1-CB 3.89Å; V37-L76 HydrophobicContact CG1-CD1 4.39Å; V37-L76 HydrophobicContact CG2-CB 4.05Å; V37-L76 HydrophobicContact CG2-CD1 4.13Å; V37-L76 HydrophobicContact CG2-CG 4.5Å; V37-T77 HydrophobicContact CG1-CG2 3.53Å
38	P	45.9	Very low	43.7	Very low	40 Å²	40	92.1 Å²	92.1	26%	0.26	53%	0.527	S	S	.	.			trans	-68.8	147.6	-177.1	-25.4	43.4	0	0	0	110	G36 N40 I44 H73	G36-P38 WeakPolarHBondContact O-CD 3.36Å; P38-N40 PolarHBondContact O-N 2.83Å; P38-N40 VanDerWaalsContact O-N 3.08Å; P38-I44 HydrophobicContact CB-CD1 4.4Å; P38-I44 HydrophobicContact CB-CG1 4.35Å; P38-I44 HydrophobicContact CG-CD1 3.3Å; P38-I44 HydrophobicContact CG-CG1 3.6Å; P38-H73 PolarHBondContact O-CD2 3.48Å; P38-H73 PolarHBondContact O-NE2 3.08Å
39	L	53.5	Low	44.4	Very low	180 Å²	180	95.2 Å²	95.2	94%	0.942	54%	0.536	S	S	*	.	S	Bend	trans	-54.3	-30.1	-179.9	-85.6	141	0	0	0	112.8
40	N	58	Low	45.2	Very low	61 Å²	61	91.2 Å²	91.2	33%	0.326	52%	0.517	S	S	.	.			trans	-129.6	122.8	176.3	-172.3	-9.7	0	0	0	111	P38 L42 D43	P38-N40 PolarHBondContact O-N 2.83Å; P38-N40 VanDerWaalsContact O-N 3.08Å; N40-L42 PolarHBondContact O-N 2.75Å; N40-L42 VanDerWaalsContact OD1-CB 3.32Å; N40-L42 WeakPolarHBondContact OD1-CB 3.36Å; N40-L42 WeakPolarHBondContact OD1-CG 3.47Å; N40-L42 PolarHBondContact OD1-N 3.47Å; N40-D43 WeakPolarHBondContact O-CB 3.47Å; N40-D43 PolarHBondContact O-N 2.85Å; N40-D43 VanDerWaalsContact O-N 3.09Å
41	Y	60.3	Low	46.7	Very low	46 Å²	46	95.4 Å²	95.4	18%	0.18	52%	0.524	C	S	.	.	H	α-helix	trans	-60	-31	177.4	83.1	-100.4	0	0	0	112.3	D43 I44 L45 Y69 A70 H73	Y41-D43 PolarHBondContact O-N 2.67Å; Y41-I44 PolarHBondContact O-N 3.07Å; Y41-I44 VanDerWaalsContact O-N 3.1Å; Y41-L45 HydrophobicContact CD2-CD1 4.09Å; Y41-L45 HydrophobicContact CE2-CD1 4.2Å; Y41-L45 PolarHBondContact O-N 2.99Å; Y41-Y69 AromaticContact CD2-CD1 3.79Å; Y41-Y69 HydrophobicContact CD2-CD1 3.79Å; Y41-Y69 HydrophobicContact CD2-CE1 4.18Å; Y41-Y69 HydrophobicContact CG-CD1 4.21Å; Y41-Y69 HydrophobicContact CG-CE1 4.26Å; Y41-Y69 VanDerWaalsContact O-CE1 3.24Å; Y41-Y69 WeakPolarHBondContact O-CE1 2.86Å; Y41-A70 HydrophobicContact CD2-CB 4.44Å; Y41-A70 HydrophobicContact CE1-CB 4.21Å; Y41-A70 HydrophobicContact CE2-CB 4.08Å; Y41-H73 VanDerWaalsContact CB-CG 3.45Å; Y41-H73 HydrophobicContact CG-CB 4.42Å; Y41-H73 PolarHBondContact N-NE2 3.06Å
42	L	56.7	Low	47.8	Very low	57 Å²	57	97.1 Å²	97.1	30%	0.298	53%	0.529	S	S	.	.	H	α-helix	trans	-61.8	-26.5	178.3	-65.8	169	0	0	0	112.1	N40 I44 L45 K46	N40-L42 PolarHBondContact O-N 2.75Å; N40-L42 VanDerWaalsContact OD1-CB 3.32Å; N40-L42 WeakPolarHBondContact OD1-CB 3.36Å; N40-L42 WeakPolarHBondContact OD1-CG 3.47Å; N40-L42 PolarHBondContact OD1-N 3.47Å; L42-I44 VanDerWaalsContact C-N 3.32Å; L42-I44 PolarHBondContact O-N 3.11Å; L42-L45 PolarHBondContact O-N 2.73Å; L42-K46 PolarHBondContact O-N 3.06Å
43	D	61.6	Low	48.3	Very low	75 Å²	75	100 Å²	100	40%	0.401	52%	0.524	S	S	.	.	H	α-helix	trans	-71.8	-25.9	178.4	-66.8	-32.2	0	0	0	112.7	N40 Y41 K46	N40-D43 WeakPolarHBondContact O-CB 3.47Å; N40-D43 PolarHBondContact O-N 2.85Å; N40-D43 VanDerWaalsContact O-N 3.09Å; Y41-D43 PolarHBondContact O-N 2.67Å; D43-K46 PolarHBondContact O-N 3.02Å; D43-K46 WeakPolarHBondContact OD1-CE 3.18Å; D43-K46 IonicContact OD1-NZ 2.72Å; D43-K46 PolarHBondContact OD1-NZ 3.44Å
44	I	55.3	Low	49.2	Very low	22 Å²	22	97.6 Å²	97.6	11%	0.113	52%	0.518	C	S	.	.	H	α-helix	trans	-75.5	-33.2	173.9	-77.1	-167.5	0	0	0	111.7	P38 Y41 L42 K46 N57 I60 Y69	P38-I44 HydrophobicContact CB-CD1 4.4Å; P38-I44 HydrophobicContact CB-CG1 4.35Å; P38-I44 HydrophobicContact CG-CD1 3.3Å; P38-I44 HydrophobicContact CG-CG1 3.6Å; Y41-I44 PolarHBondContact O-N 3.07Å; Y41-I44 VanDerWaalsContact O-N 3.1Å; L42-I44 VanDerWaalsContact C-N 3.32Å; L42-I44 PolarHBondContact O-N 3.11Å; I44-K46 PolarHBondContact O-N 3.07Å; I44-N57 HydrophobicContact CG2-CB 4.48Å; I44-I60 HydrophobicContact CG2-CD1 3.37Å; I44-I60 HydrophobicContact CG2-CG1 3.57Å; I44-Y69 HydrophobicContact CB-CE1 3.87Å; I44-Y69 WeakPolarHBondContact CB-OH 3.43Å; I44-Y69 WeakPolarHBondContact CD1-OH 3.38Å; I44-Y69 WeakPolarHBondContact CG1-OH 3.4Å; I44-Y69 HydrophobicContact CG2-CE1 3.97Å; I44-Y69 HydrophobicContact CG2-CE2 4.02Å
45	L	54.9	Low	49.8	Very low	23 Å²	23	96.6 Å²	96.6	12%	0.12	50%	0.502	C	S	.	.	S	Bend	trans	-79.9	-4.6	176.5	-59.5	176.9	0	0	0	112.5	Y41 L42 P47 F56 P66 Y69 P782	Y41-L45 HydrophobicContact CD2-CD1 4.09Å; Y41-L45 HydrophobicContact CE2-CD1 4.2Å; Y41-L45 PolarHBondContact O-N 2.99Å; L42-L45 PolarHBondContact O-N 2.73Å; L45-P47 WeakPolarHBondContact O-CD 3.44Å; L45-F56 WeakPolarHBondContact O-CE1 3.3Å; L45-P66 HydrophobicContact CD1-CB 4.36Å; L45-Y69 HydrophobicContact CD1-CD1 4.26Å; L45-Y69 HydrophobicContact CD2-CD1 4.28Å; L45-Y69 HydrophobicContact CG-CD1 4.1Å; L45-P782 HydrophobicContact CB-CG 3.38Å; L45-P782 HydrophobicContact CD1-CG 3.75Å; L45-P782 HydrophobicContact CG-CG 4.2Å
46	K	57.3	Low	50.7	Low	123 Å²	123	93.1 Å²	93.1	54%	0.535	48%	0.48	S	S	.	.	S	Bend	trans	-73	123.9	173.1	-79.1	175	-174.9	162.9	0	109.8	L42 D43 I44 T48	L42-K46 PolarHBondContact O-N 3.06Å; D43-K46 PolarHBondContact O-N 3.02Å; D43-K46 WeakPolarHBondContact OD1-CE 3.18Å; D43-K46 IonicContact OD1-NZ 2.72Å; D43-K46 PolarHBondContact OD1-NZ 3.44Å; I44-K46 PolarHBondContact O-N 3.07Å; K46-T48 PolarHBondContact O-N 3.15Å
47	P	52.8	Low	51.2	Low	68 Å²	68	93 Å²	93	44%	0.442	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-65.7	130.8	172.7	11.1	-10.7	0	0	0	111.3	L45 V54 F56	L45-P47 WeakPolarHBondContact O-CD 3.44Å; P47-V54 HydrophobicContact CB-CB 4.39Å; P47-V54 HydrophobicContact CB-CG1 3.15Å; P47-V54 HydrophobicContact CG-CG1 4.12Å; P47-F56 HydrophobicContact CB-CE1 4.05Å; P47-F56 HydrophobicContact CB-CE2 4.32Å; P47-F56 HydrophobicContact CB-CZ 3.87Å; P47-F56 HydrophobicContact CG-CE1 4.19Å; P47-F56 HydrophobicContact CG-CZ 4.01Å
48	T	52.3	Low	51.7	Low	83 Å²	83	98 Å²	98	51%	0.509	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127.2	169	32.2	0	0	0	0	110.5	K46 T50 Q55	K46-T48 PolarHBondContact O-N 3.15Å; T48-T50 PolarHBondContact O-N 3.29Å; T48-Q55 PolarHBondContact N-O 3.34Å; T48-Q55 PolarHBondContact O-N 2.95Å; T48-Q55 PolarHBondContact OG1-O 3.14Å
49	L	43.3	Very low	52	Low	153 Å²	153	102.9 Å²	102.9	80%	0.801	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	109.7	174.9	-150.3	94.1	0	0	0	108.6	V54	L49-V54 HydrophobicContact CD1-CG2 4.02Å
50	T	46.6	Very low	52	Low	64 Å²	64	96 Å²	96	39%	0.393	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	157.6	163.4	54.7	0	0	0	0	108.8	T48 K52 R53	T48-T50 PolarHBondContact O-N 3.29Å; T50-K52 CarbonylContact O-C 3.5Å; T50-K52 PolarHBondContact O-N 3.34Å; T50-R53 PolarHBondContact N-O 2.79Å; T50-R53 PolarHBondContact O-N 3Å; T50-R53 VanDerWaalsContact O-O 3.08Å; T50-R53 PolarHBondContact OG1-O 3.09Å; T50-R53 VanDerWaalsContact OG1-O 3.07Å
51	E	57.8	Low	51.9	Low	201 Å²	201	96.5 Å²	96.5	94%	0.939	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.1	-24	-155.3	-65.3	-176.1	160.9	0	0	118.4
52	K	50.2	Low	52	Low	208 Å²	208	99.6 Å²	99.6	90%	0.904	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.3	6.8	167.5	-64.6	-172.1	-179.8	176.1	0	116	T50	T50-K52 CarbonylContact O-C 3.5Å; T50-K52 PolarHBondContact O-N 3.34Å
53	R	36.2	Very low	52.4	Low	197 Å²	197	99.2 Å²	99.2	74%	0.743	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.4	137.6	-178.8	-69.4	-173.8	179.3	173.5	0.1	111.8	T50 Q55	T50-R53 PolarHBondContact N-O 2.79Å; T50-R53 PolarHBondContact O-N 3Å; T50-R53 VanDerWaalsContact O-O 3.08Å; T50-R53 PolarHBondContact OG1-O 3.09Å; T50-R53 VanDerWaalsContact OG1-O 3.07Å; R53-Q55 PolarHBondContact O-N 3.11Å
54	V	44.5	Very low	52.8	Low	77 Å²	77	97 Å²	97	47%	0.467	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	121.7	161.8	165.5	0	0	0	0	107.9	P47 L49 F56	P47-V54 HydrophobicContact CB-CB 4.39Å; P47-V54 HydrophobicContact CB-CG1 3.15Å; P47-V54 HydrophobicContact CG-CG1 4.12Å; L49-V54 HydrophobicContact CD1-CG2 4.02Å; V54-F56 HydrophobicContact CG1-CE2 4.12Å
55	Q	43.6	Very low	53.5	Low	101 Å²	101	96.4 Å²	96.4	47%	0.472	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.4	170.8	-81.1	-174.6	-25.4	0	0	109.9	T48 R53	T48-Q55 PolarHBondContact N-O 3.34Å; T48-Q55 PolarHBondContact O-N 2.95Å; T48-Q55 PolarHBondContact OG1-O 3.14Å; R53-Q55 PolarHBondContact O-N 3.11Å
56	F	48.4	Very low	54.1	Low	58 Å²	58	96.1 Å²	96.1	25%	0.254	50%	0.497	S	S	.	.			trans	-84.2	160.3	169.2	-73.8	-86.2	0	0	0	110.8	L45 P47 V54 L58 N792	L45-F56 WeakPolarHBondContact O-CE1 3.3Å; P47-F56 HydrophobicContact CB-CE1 4.05Å; P47-F56 HydrophobicContact CB-CE2 4.32Å; P47-F56 HydrophobicContact CB-CZ 3.87Å; P47-F56 HydrophobicContact CG-CE1 4.19Å; P47-F56 HydrophobicContact CG-CZ 4.01Å; V54-F56 HydrophobicContact CG1-CE2 4.12Å; F56-L58 PolarHBondContact O-N 3.46Å; F56-L58 VanDerWaalsContact O-N 3.11Å; F56-N792 WeakPolarHBondContact CE2-ND2 3.3Å; F56-N792 WeakPolarHBondContact CZ-ND2 3.5Å
57	N	54.2	Low	54.7	Low	60 Å²	60	91.1 Å²	91.1	32%	0.321	48%	0.475	S	S	.	.			trans	-56.8	116.2	173.1	-175.5	-14.7	0	0	0	110	I44 N59 I60	I44-N57 HydrophobicContact CG2-CB 4.48Å; N57-N59 PolarHBondContact O-N 3.25Å; N57-N59 VanDerWaalsContact O-N 3.07Å; N57-N59 WeakPolarHBondContact OD1-CB 3.45Å; N57-N59 PolarHBondContact OD1-N 3.38Å; N57-I60 HydrophobicContact CB-CD1 3.97Å; N57-I60 HydrophobicContact CB-CG1 4.07Å; N57-I60 WeakPolarHBondContact O-CG1 3.31Å; N57-I60 PolarHBondContact O-N 3.41Å; N57-I60 VanDerWaalsContact O-N 3.15Å
58	L	52.2	Low	55.5	Low	160 Å²	160	88.1 Å²	88.1	84%	0.838	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.5	-178.1	-72	163.7	0	0	0	113.5	F56 I60	F56-L58 PolarHBondContact O-N 3.46Å; F56-L58 VanDerWaalsContact O-N 3.11Å; L58-I60 VanDerWaalsContact C-N 3.28Å; L58-I60 PolarHBondContact O-N 2.72Å
59	N	52.2	Low	56.3	Low	143 Å²	143	85.1 Å²	85.1	77%	0.765	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-2	179.2	-61.5	-26.5	0	0	0	113.3	N57	N57-N59 PolarHBondContact O-N 3.25Å; N57-N59 VanDerWaalsContact O-N 3.07Å; N57-N59 WeakPolarHBondContact OD1-CB 3.45Å; N57-N59 PolarHBondContact OD1-N 3.38Å
60	I	52.9	Low	57.4	Low	36 Å²	36	78.4 Å²	78.4	19%	0.185	40%	0.403	C	S	.	.	S	Bend	trans	-84.6	124	178	-55.5	171.2	0	0	0	109.5	I44 N57 L58 C62 I64	I44-I60 HydrophobicContact CG2-CD1 3.37Å; I44-I60 HydrophobicContact CG2-CG1 3.57Å; N57-I60 HydrophobicContact CB-CD1 3.97Å; N57-I60 HydrophobicContact CB-CG1 4.07Å; N57-I60 WeakPolarHBondContact O-CG1 3.31Å; N57-I60 PolarHBondContact O-N 3.41Å; N57-I60 VanDerWaalsContact O-N 3.15Å; L58-I60 VanDerWaalsContact C-N 3.28Å; L58-I60 PolarHBondContact O-N 2.72Å; I60-C62 PolarHBondContact O-N 2.73Å; I60-I64 HydrophobicContact CG2-CG2 3.59Å
61	P	56.2	Low	58.4	Low	71 Å²	71	77.6 Å²	77.6	46%	0.461	39%	0.394	S	S	.	.			trans	-59.1	129.3	173.8	-22.7	32.8	0	0	0	111.7	S63 I64	P61-S63 PolarHBondContact O-N 3.47Å; P61-I64 WeakPolarHBondContact O-CG2 3.36Å; P61-I64 PolarHBondContact O-N 2.88Å
62	C	63	Low	58.7	Low	111 Å²	111	71.4 Å²	71.4	75%	0.75	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-10.2	179.9	-55.9	0	0	0	0	114.2	I60 R798	I60-C62 PolarHBondContact O-N 2.73Å; C62-R798 VanDerWaalsContact O-CZ 3.22Å; C62-R798 PolarHBondContact O-NE 2.96Å; C62-R798 PolarHBondContact O-NH2 3.35Å
63	S	64.9	Low	59.2	Low	50 Å²	50	62.4 Å²	62.4	35%	0.35	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-11.8	178.8	57.7	0	0	0	0	114.2	P61 N689 L690	P61-S63 PolarHBondContact O-N 3.47Å; S63-N689 CarbonylContact O-C 3.57Å; S63-N689 VanDerWaalsContact O-CA 3.25Å; S63-N689 WeakPolarHBondContact O-CA 3.3Å; S63-N689 WeakPolarHBondContact O-CB 3.35Å; S63-L690 PolarHBondContact O-N 2.96Å
64	I	69.4	Low	60.5	Low	27 Å²	27	59.2 Å²	59.2	14%	0.138	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-80.1	139	-174.2	-156.8	165.2	0	0	0	111.6	I60 P61 Y69 L72 R798	I60-I64 HydrophobicContact CG2-CG2 3.59Å; P61-I64 WeakPolarHBondContact O-CG2 3.36Å; P61-I64 PolarHBondContact O-N 2.88Å; I64-Y69 HydrophobicContact CD1-CD2 4.37Å; I64-L72 HydrophobicContact CD1-CB 4.44Å; I64-L72 HydrophobicContact CD1-CD2 4.03Å; I64-R798 PolarHBondContact O-NH2 3.3Å
65	T	70.1	Confident	61.2	Low	11 Å²	11	61.6 Å²	61.6	7%	0.067	33%	0.325	C	S	.	.			trans	-87.4	163.3	171.9	70.4	0	0	0	0	110.6	K67 G68 Y69 T688 L690	T65-K67 PolarHBondContact O-N 3.47Å; T65-K67 PolarHBondContact OG1-N 3.1Å; T65-G68 PolarHBondContact O-N 3.09Å; T65-G68 PolarHBondContact OG1-N 3.48Å; T65-G68 VanDerWaalsContact OG1-N 3.11Å; T65-Y69 PolarHBondContact O-N 2.87Å; T65-T688 PolarHBondContact N-O 2.88Å; T65-T688 VanDerWaalsContact N-O 3.15Å; T65-T688 PolarHBondContact OG1-O 2.9Å; T65-L690 HydrophobicContact CG2-CD2 3.55Å; T65-L690 HydrophobicContact CG2-CG 3.91Å
66	P	67.7	Low	61.7	Low	16 Å²	16	61.6 Å²	61.6	10%	0.104	33%	0.328	C	S	.	.	H	α-helix	trans	-54.1	-37.2	172.1	-26.9	35.1	0	0	0	113.1	L45 Y69 A70 Y780	L45-P66 HydrophobicContact CD1-CB 4.36Å; P66-Y69 PolarHBondContact O-N 2.88Å; P66-A70 WeakPolarHBondContact O-CB 3.44Å; P66-A70 PolarHBondContact O-N 2.96Å; P66-Y780 WeakPolarHBondContact CB-O 3.45Å
67	K	71	Confident	61.9	Low	19 Å²	19	61.7 Å²	61.7	8%	0.083	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-46.5	172.8	178.6	-177.1	176.9	-177.6	0	112.1	T65 Y69 A70 K71 A686 T688 D776 Y780	T65-K67 PolarHBondContact O-N 3.47Å; T65-K67 PolarHBondContact OG1-N 3.1Å; K67-Y69 VanDerWaalsContact C-N 3.26Å; K67-Y69 PolarHBondContact O-N 3.49Å; K67-A70 PolarHBondContact O-N 3.42Å; K67-K71 PolarHBondContact O-N 3.33Å; K67-A686 PolarHBondContact NZ-O 3.49Å; K67-T688 HydrophobicContact CG-CG2 4.46Å; K67-D776 HydrophobicContact CD-CB 4.26Å; K67-D776 WeakPolarHBondContact CE-OD2 3.44Å; K67-D776 IonicContact NZ-OD2 2.72Å; K67-D776 PolarHBondContact NZ-OD2 3.19Å; K67-Y780 HydrophobicContact CB-CD2 3.59Å; K67-Y780 HydrophobicContact CB-CE2 4.12Å; K67-Y780 HydrophobicContact CB-CG 4.02Å; K67-Y780 HydrophobicContact CD-CD2 4.41Å; K67-Y780 HydrophobicContact CD-CE2 4.22Å; K67-Y780 HydrophobicContact CG-CD2 3.85Å; K67-Y780 HydrophobicContact CG-CE2 3.82Å
68	G	69.8	Low	61.5	Low	4 Å²	4	62.2 Å²	62.2	4%	0.041	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-34.3	176.8	0	0	0	0	0	112.9	T65 L72 T688	T65-G68 PolarHBondContact O-N 3.09Å; T65-G68 PolarHBondContact OG1-N 3.48Å; T65-G68 VanDerWaalsContact OG1-N 3.11Å; G68-L72 VanDerWaalsContact O-CB 3.24Å; G68-L72 WeakPolarHBondContact O-CB 3.24Å; G68-L72 PolarHBondContact O-N 3.25Å; G68-T688 VanDerWaalsContact CA-O 3.26Å; G68-T688 WeakPolarHBondContact CA-O 3.16Å; G68-T688 PolarHBondContact N-O 3.25Å
69	Y	68	Low	60.8	Low	20 Å²	20	59.2 Å²	59.2	8%	0.078	33%	0.332	C	S	.	.	H	α-helix	trans	-70.6	-42.7	175.9	-168.3	-102.7	0	0	0	112.1	Y41 I44 L45 I64 T65 P66 K67 K71 L72 H73	Y41-Y69 AromaticContact CD2-CD1 3.79Å; Y41-Y69 HydrophobicContact CD2-CD1 3.79Å; Y41-Y69 HydrophobicContact CD2-CE1 4.18Å; Y41-Y69 HydrophobicContact CG-CD1 4.21Å; Y41-Y69 HydrophobicContact CG-CE1 4.26Å; Y41-Y69 VanDerWaalsContact O-CE1 3.24Å; Y41-Y69 WeakPolarHBondContact O-CE1 2.86Å; I44-Y69 HydrophobicContact CB-CE1 3.87Å; I44-Y69 WeakPolarHBondContact CB-OH 3.43Å; I44-Y69 WeakPolarHBondContact CD1-OH 3.38Å; I44-Y69 WeakPolarHBondContact CG1-OH 3.4Å; I44-Y69 HydrophobicContact CG2-CE1 3.97Å; I44-Y69 HydrophobicContact CG2-CE2 4.02Å; L45-Y69 HydrophobicContact CD1-CD1 4.26Å; L45-Y69 HydrophobicContact CD2-CD1 4.28Å; L45-Y69 HydrophobicContact CG-CD1 4.1Å; I64-Y69 HydrophobicContact CD1-CD2 4.37Å; T65-Y69 PolarHBondContact O-N 2.87Å; P66-Y69 PolarHBondContact O-N 2.88Å; K67-Y69 VanDerWaalsContact C-N 3.26Å; K67-Y69 PolarHBondContact O-N 3.49Å; Y69-K71 VanDerWaalsContact C-N 3.34Å; Y69-K71 PolarHBondContact O-N 2.81Å; Y69-L72 PolarHBondContact O-N 2.84Å; Y69-H73 WeakPolarHBondContact O-CB 3.44Å; Y69-H73 PolarHBondContact O-N 2.93Å
70	A	66.6	Low	59.9	Low	12 Å²	12	58.1 Å²	58.1	10%	0.099	33%	0.334	C	S	.	.	H	α-helix	trans	-58.7	-44	172.5	0	0	0	0	0	111.8	Y41 P66 K67 H73 E74 Y780	Y41-A70 HydrophobicContact CD2-CB 4.44Å; Y41-A70 HydrophobicContact CE1-CB 4.21Å; Y41-A70 HydrophobicContact CE2-CB 4.08Å; P66-A70 WeakPolarHBondContact O-CB 3.44Å; P66-A70 PolarHBondContact O-N 2.96Å; K67-A70 PolarHBondContact O-N 3.42Å; A70-H73 PolarHBondContact O-N 2.87Å; A70-E74 WeakPolarHBondContact O-CB 3.33Å; A70-E74 PolarHBondContact O-N 3.4Å; A70-Y780 HydrophobicContact CB-CD1 3.75Å; A70-Y780 HydrophobicContact CB-CE1 4.23Å
71	K	67.4	Low	58.7	Low	47 Å²	47	62.9 Å²	62.9	20%	0.204	36%	0.358	C	S	.	.	H	α-helix	trans	-66.3	-39.4	174.9	-78.2	-171.9	176.1	-170.3	0	113.3	K67 Y69 E74 K75 T688	K67-K71 PolarHBondContact O-N 3.33Å; Y69-K71 VanDerWaalsContact C-N 3.34Å; Y69-K71 PolarHBondContact O-N 2.81Å; K71-E74 PolarHBondContact O-N 3.43Å; K71-K75 WeakPolarHBondContact O-CB 3.35Å; K71-K75 WeakPolarHBondContact O-CG 3.43Å; K71-K75 PolarHBondContact O-N 2.89Å; K71-T688 HydrophobicContact CD-CG2 3.61Å
72	L	64.4	Low	57.4	Low	71 Å²	71	64.1 Å²	64.1	37%	0.372	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-44.3	175.9	179.1	64.1	0	0	0	110.2	I64 G68 Y69 K75 L76	I64-L72 HydrophobicContact CD1-CB 4.44Å; I64-L72 HydrophobicContact CD1-CD2 4.03Å; G68-L72 VanDerWaalsContact O-CB 3.24Å; G68-L72 WeakPolarHBondContact O-CB 3.24Å; G68-L72 PolarHBondContact O-N 3.25Å; Y69-L72 PolarHBondContact O-N 2.84Å; L72-K75 PolarHBondContact O-N 3.45Å; L72-L76 HydrophobicContact CD1-CD1 4.03Å; L72-L76 HydrophobicContact CD1-CG 4.33Å; L72-L76 HydrophobicContact CG-CD1 3.86Å; L72-L76 WeakPolarHBondContact O-CB 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.05Å; L72-L76 PolarHBondContact O-N 3.43Å
73	H	60.8	Low	55.9	Low	20 Å²	20	66.2 Å²	66.2	9%	0.093	37%	0.365	C	S	.	.	H	α-helix	trans	-59.8	-49.7	174.5	-177	-100	0	0	0	111.1	P38 Y41 Y69 A70 K75 L76 T77	P38-H73 PolarHBondContact O-CD2 3.48Å; P38-H73 PolarHBondContact O-NE2 3.08Å; Y41-H73 VanDerWaalsContact CB-CG 3.45Å; Y41-H73 HydrophobicContact CG-CB 4.42Å; Y41-H73 PolarHBondContact N-NE2 3.06Å; Y69-H73 WeakPolarHBondContact O-CB 3.44Å; Y69-H73 PolarHBondContact O-N 2.93Å; A70-H73 PolarHBondContact O-N 2.87Å; H73-K75 VanDerWaalsContact C-N 3.33Å; H73-K75 PolarHBondContact O-N 3.41Å; H73-L76 CarbonylContact O-C 3.6Å; H73-L76 WeakPolarHBondContact O-CA 3.24Å; H73-L76 PolarHBondContact O-N 3.45Å; H73-T77 WeakPolarHBondContact NE2-CG2 3.44Å; H73-T77 PolarHBondContact O-N 2.7Å; H73-T77 PolarHBondContact O-OG1 2.73Å
74	E	62.5	Low	54.4	Low	129 Å²	129	68.1 Å²	68.1	60%	0.603	38%	0.378	S	S	*	.	H	α-helix	trans	-55.6	-45.9	175	-173.7	-176.1	-176	0	0	112	A70 K71 L76 T77 S78	A70-E74 WeakPolarHBondContact O-CB 3.33Å; A70-E74 PolarHBondContact O-N 3.4Å; K71-E74 PolarHBondContact O-N 3.43Å; E74-L76 PolarHBondContact O-N 2.89Å; E74-T77 PolarHBondContact O-N 3.42Å; E74-S78 WeakPolarHBondContact O-CB 3.32Å; E74-S78 PolarHBondContact O-N 2.79Å
75	K	59.8	Low	52.9	Low	127 Å²	127	75.9 Å²	75.9	55%	0.552	41%	0.411	S	S	*	.	H	α-helix	trans	-60.4	-32.3	175.4	-77	179.1	-180	-178.4	0	112.6	K71 L72 H73 E697	K71-K75 WeakPolarHBondContact O-CB 3.35Å; K71-K75 WeakPolarHBondContact O-CG 3.43Å; K71-K75 PolarHBondContact O-N 2.89Å; L72-K75 PolarHBondContact O-N 3.45Å; H73-K75 VanDerWaalsContact C-N 3.33Å; H73-K75 PolarHBondContact O-N 3.41Å; K75-E697 IonicContact NZ-OE2 3.62Å; K75-E697 PolarHBondContact NZ-OE2 3.05Å
76	L	55	Low	51.2	Low	102 Å²	102	77.5 Å²	77.5	53%	0.534	43%	0.43	S	S	.	.	H	α-helix	trans	-89.5	-29.1	-178	-69.3	171	0	0	0	113.8	V37 L72 H73 E74	V37-L76 HydrophobicContact CG1-CB 3.89Å; V37-L76 HydrophobicContact CG1-CD1 4.39Å; V37-L76 HydrophobicContact CG2-CB 4.05Å; V37-L76 HydrophobicContact CG2-CD1 4.13Å; V37-L76 HydrophobicContact CG2-CG 4.5Å; L72-L76 HydrophobicContact CD1-CD1 4.03Å; L72-L76 HydrophobicContact CD1-CG 4.33Å; L72-L76 HydrophobicContact CG-CD1 3.86Å; L72-L76 WeakPolarHBondContact O-CB 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.05Å; L72-L76 PolarHBondContact O-N 3.43Å; H73-L76 CarbonylContact O-C 3.6Å; H73-L76 WeakPolarHBondContact O-CA 3.24Å; H73-L76 PolarHBondContact O-N 3.45Å; E74-L76 PolarHBondContact O-N 2.89Å
77	T	51.1	Low	49.6	Very low	60 Å²	60	86.4 Å²	86.4	37%	0.368	47%	0.467	S	S	.	.	H	α-helix	trans	-106.1	-10.5	-176.3	62.4	0	0	0	0	114.4	V37 H73 E74 P79	V37-T77 HydrophobicContact CG1-CG2 3.53Å; H73-T77 WeakPolarHBondContact NE2-CG2 3.44Å; H73-T77 PolarHBondContact O-N 2.7Å; H73-T77 PolarHBondContact O-OG1 2.73Å; E74-T77 PolarHBondContact O-N 3.42Å; T77-P79 WeakPolarHBondContact O-CD 3.4Å; T77-P79 VanDerWaalsContact O-N 3.08Å
78	S	45.5	Very low	47.9	Very low	70 Å²	70	89.3 Å²	89.3	49%	0.49	50%	0.495	S	S	.	.	S	Bend	trans	-55.9	118.5	173.8	-172.1	0	0	0	0	108.4	E74 C80	E74-S78 WeakPolarHBondContact O-CB 3.32Å; E74-S78 PolarHBondContact O-N 2.79Å; S78-C80 PolarHBondContact O-N 3.44Å
79	P	39.3	Very low	46.6	Very low	97 Å²	97	92.5 Å²	92.5	63%	0.63	51%	0.511	S	S	*	.			trans	-57.4	134.2	176.2	22.6	-29.7	0	0	0	106.9	T77 I81	T77-P79 WeakPolarHBondContact O-CD 3.4Å; T77-P79 VanDerWaalsContact O-N 3.08Å; P79-I81 PolarHBondContact O-N 2.97Å
80	C	32	Very low	45.6	Very low	120 Å²	120	94 Å²	94	81%	0.811	52%	0.524	S	S	*	.			trans	-59.7	82.3	170	-61.4	0	0	0	0	108.8	S78	S78-C80 PolarHBondContact O-N 3.44Å
81	I	27.7	Very low	44.7	Very low	136 Å²	136	97 Å²	97	70%	0.697	54%	0.537	S	S	*	.			trans	-53.5	122.6	164.2	-63.4	174	0	0	0	103.9	P79 H83	P79-I81 PolarHBondContact O-N 2.97Å; I81-H83 PolarHBondContact O-N 2.85Å
82	P	29.6	Very low	43.7	Very low	98 Å²	98	96 Å²	96	64%	0.636	54%	0.538	S	S	*	.			trans	-56.2	118.5	-161.7	19.2	-30.5	0	0	0	108.9	S84	P82-S84 PolarHBondContact O-N 3.29Å
83	H	30.9	Very low	42.9	Very low	155 Å²	155	96.3 Å²	96.3	72%	0.718	54%	0.54	S	S	*	.			trans	-44.5	106.4	170.8	-77.1	-69.4	0	0	0	108.3	I81 K85	I81-H83 PolarHBondContact O-N 2.85Å; H83-K85 PolarHBondContact O-N 3.16Å
84	S	33.1	Very low	42.5	Very low	89 Å²	89	101.8 Å²	101.8	62%	0.622	56%	0.56	S	S	*	*			trans	-50.5	129.4	154.6	57.3	0	0	0	0	104.9	P82 G86	P82-S84 PolarHBondContact O-N 3.29Å; S84-G86 PolarHBondContact O-N 3.44Å
85	K	38.6	Very low	41.9	Very low	190 Å²	190	95.9 Å²	95.9	83%	0.826	53%	0.533	S	S	*	.	S	Bend	trans	-71.5	26.6	171.3	-90.8	-173.3	173.6	-176.9	0	111.8	H83	H83-K85 PolarHBondContact O-N 3.16Å
86	G	34.8	Very low	41.5	Very low	45 Å²	45	94.3 Å²	94.3	46%	0.464	52%	0.524	S	S	.	.	S	Bend	trans	-90.5	141.7	157.2	0	0	0	0	0	107.5	S84 A88	S84-G86 PolarHBondContact O-N 3.44Å; G86-A88 PolarHBondContact O-N 3.27Å
87	K	34	Very low	41.4	Very low	203 Å²	203	96.6 Å²	96.6	88%	0.883	53%	0.525	S	S	*	.			trans	-25.8	133.2	-179.8	-69.2	171.8	175.5	177.8	0	113.7	D89	K87-D89 PolarHBondContact O-N 3.42Å
88	A	34.9	Very low	41.4	Very low	81 Å²	81	97.1 Å²	97.1	67%	0.669	52%	0.524	S	S	*	.			trans	-32.9	126.3	170.3	0	0	0	0	0	110.5	G86 S90	G86-A88 PolarHBondContact O-N 3.27Å; A88-S90 PolarHBondContact O-N 2.97Å
89	D	43	Very low	41.4	Very low	71 Å²	71	94.6 Å²	94.6	38%	0.38	50%	0.504	S	S	.	.			trans	-37.8	111.3	174.3	-105.4	-11.3	0	0	0	106.9	K87 D93 R97	K87-D89 PolarHBondContact O-N 3.42Å; D89-D93 HydrophobicContact CB-CB 4.39Å; D89-R97 IonicContact OD2-CZ 3.9Å; D89-R97 IonicContact OD2-NH1 3.04Å; D89-R97 PolarHBondContact OD2-NH1 3.47Å; D89-R97 IonicContact OD2-NH2 3.88Å
90	S	47.2	Very low	41.5	Very low	52 Å²	52	95.8 Å²	95.8	36%	0.364	50%	0.5	S	S	.	.			trans	-61.8	154.8	-173.9	65.7	0	0	0	0	108.1	A88 A92 D93 R94	A88-S90 PolarHBondContact O-N 2.97Å; S90-A92 PolarHBondContact O-N 3.36Å; S90-A92 VanDerWaalsContact O-N 3.11Å; S90-D93 WeakPolarHBondContact CB-OD2 3.47Å; S90-D93 PolarHBondContact N-OD2 3.28Å; S90-D93 WeakPolarHBondContact O-CA 3.26Å; S90-D93 WeakPolarHBondContact O-CB 3.27Å; S90-D93 PolarHBondContact O-N 2.65Å; S90-D93 PolarHBondContact OG-N 3.22Å; S90-D93 PolarHBondContact OG-OD2 2.84Å; S90-R94 PolarHBondContact O-N 3.4Å
91	M	47.6	Very low	42.1	Very low	73 Å²	73	93.6 Å²	93.6	36%	0.36	48%	0.48	S	S	.	.	H	α-helix	trans	-53.2	-34.7	175	-173.6	173.3	-74	0	0	111.1	R94 V95 L696 L700	M91-R94 PolarHBondContact O-N 3.11Å; M91-V95 WeakPolarHBondContact O-CG2 3.37Å; M91-V95 PolarHBondContact O-N 3.24Å; M91-L696 HydrophobicContact CE-CB 4.39Å; M91-L696 HydrophobicContact CE-CD2 3.81Å; M91-L696 HydrophobicContact CE-CG 4.16Å; M91-L696 HydrophobicContact SD-CB 4.21Å; M91-L696 HydrophobicContact SD-CD2 3.31Å; M91-L696 WeakPolarHBondContact SD-CD2 3.49Å; M91-L696 HydrophobicContact SD-CG 3.43Å; M91-L696 WeakPolarHBondContact SD-CG 3.4Å; M91-L700 HydrophobicContact CG-CD1 4.17Å; M91-L700 HydrophobicContact SD-CD1 3.96Å
92	A	46.1	Very low	42.7	Very low	28 Å²	28	91.6 Å²	91.6	23%	0.231	46%	0.464	C	S	.	.	H	α-helix	trans	-55.2	-48.5	169.1	0	0	0	0	0	113.1	S90 R94 V95 Y96 L632	S90-A92 PolarHBondContact O-N 3.36Å; S90-A92 VanDerWaalsContact O-N 3.11Å; A92-R94 VanDerWaalsContact C-N 3.3Å; A92-R94 PolarHBondContact O-N 3.34Å; A92-V95 PolarHBondContact O-N 3.19Å; A92-Y96 WeakPolarHBondContact O-CB 3.42Å; A92-Y96 PolarHBondContact O-N 2.88Å; A92-L632 HydrophobicContact CB-CD2 3.36Å
93	D	48.1	Very low	42.9	Very low	76 Å²	76	90.6 Å²	90.6	41%	0.406	46%	0.458	S	S	.	.	H	α-helix	trans	-62.8	-33.6	179.1	-63.9	-49.7	0	0	0	112.8	D89 S90 R97	D89-D93 HydrophobicContact CB-CB 4.39Å; S90-D93 WeakPolarHBondContact CB-OD2 3.47Å; S90-D93 PolarHBondContact N-OD2 3.28Å; S90-D93 WeakPolarHBondContact O-CA 3.26Å; S90-D93 WeakPolarHBondContact O-CB 3.27Å; S90-D93 PolarHBondContact O-N 2.65Å; S90-D93 PolarHBondContact OG-N 3.22Å; S90-D93 PolarHBondContact OG-OD2 2.84Å; D93-R97 WeakPolarHBondContact O-CB 3.5Å; D93-R97 PolarHBondContact O-N 2.84Å
94	R	52.7	Low	42.9	Very low	136 Å²	136	87.6 Å²	87.6	51%	0.513	45%	0.451	S	S	.	.	H	α-helix	trans	-71.2	-48.2	176.4	-66.2	-177.1	-178	-176.6	-1.4	112.3	S90 M91 A92 Y96 R97 Q98	S90-R94 PolarHBondContact O-N 3.4Å; M91-R94 PolarHBondContact O-N 3.11Å; A92-R94 VanDerWaalsContact C-N 3.3Å; A92-R94 PolarHBondContact O-N 3.34Å; R94-Y96 PolarHBondContact O-N 2.96Å; R94-R97 PolarHBondContact O-N 3.37Å; R94-Q98 PolarHBondContact O-N 3.03Å
95	V	49.2	Very low	42.7	Very low	5 Å²	5	89.9 Å²	89.9	3%	0.03	46%	0.457	C	S	.	.	H	α-helix	trans	-58.9	-41.4	174	173.4	0	0	0	0	109.8	M91 A92 Q98 I99 L700 I704	M91-V95 WeakPolarHBondContact O-CG2 3.37Å; M91-V95 PolarHBondContact O-N 3.24Å; A92-V95 PolarHBondContact O-N 3.19Å; V95-Q98 PolarHBondContact O-N 3.49Å; V95-I99 HydrophobicContact CG1-CD1 4.1Å; V95-I99 WeakPolarHBondContact O-CG1 3.32Å; V95-I99 PolarHBondContact O-N 3.47Å; V95-L700 HydrophobicContact CG2-CB 4.15Å; V95-L700 HydrophobicContact CG2-CD1 3.92Å; V95-I704 HydrophobicContact CG1-CD1 3.75Å
96	Y	50.6	Low	42.2	Very low	93 Å²	93	84.9 Å²	84.9	37%	0.365	45%	0.445	S	S	.	.	H	α-helix	trans	-64.1	-46.9	177.2	-155.3	-82.9	0	0	0	112.8	A92 R94 Q98 I99 F100 Q625 L629	A92-Y96 WeakPolarHBondContact O-CB 3.42Å; A92-Y96 PolarHBondContact O-N 2.88Å; R94-Y96 PolarHBondContact O-N 2.96Å; Y96-Q98 VanDerWaalsContact C-N 3.27Å; Y96-Q98 PolarHBondContact O-N 3.11Å; Y96-I99 PolarHBondContact O-N 3.04Å; Y96-F100 HydrophobicContact CE1-CD2 4.35Å; Y96-F100 PolarHBondContact O-N 2.9Å; Y96-Q625 VanDerWaalsContact CZ-NE2 3.25Å; Y96-Q625 PolarHBondContact OH-NE2 3.34Å; Y96-L629 HydrophobicContact CD2-CD2 3.82Å; Y96-L629 HydrophobicContact CD2-CG 4.45Å; Y96-L629 HydrophobicContact CE2-CD1 3.75Å; Y96-L629 HydrophobicContact CE2-CD2 3.43Å; Y96-L629 VanDerWaalsContact CE2-CD2 3.43Å; Y96-L629 HydrophobicContact CE2-CG 3.87Å
97	R	53	Low	41.7	Very low	150 Å²	150	90.5 Å²	90.5	57%	0.566	46%	0.464	S	S	*	.	H	α-helix	trans	-58.3	-39.2	174.9	-95.5	-171.2	-177.6	140.1	8.7	111.8	D89 D93 R94 F100 L101	D89-R97 IonicContact OD2-CZ 3.9Å; D89-R97 IonicContact OD2-NH1 3.04Å; D89-R97 PolarHBondContact OD2-NH1 3.47Å; D89-R97 IonicContact OD2-NH2 3.88Å; D93-R97 WeakPolarHBondContact O-CB 3.5Å; D93-R97 PolarHBondContact O-N 2.84Å; R94-R97 PolarHBondContact O-N 3.37Å; R97-F100 CarbonylContact O-C 3.15Å; R97-F100 WeakPolarHBondContact O-CA 3.45Å; R97-F100 WeakPolarHBondContact O-CB 3.47Å; R97-F100 PolarHBondContact O-N 3.43Å; R97-L101 WeakPolarHBondContact O-CB 3.49Å; R97-L101 VanDerWaalsContact O-CG 3.28Å; R97-L101 WeakPolarHBondContact O-CG 3.41Å; R97-L101 PolarHBondContact O-N 2.89Å
98	Q	51.5	Low	41.4	Very low	72 Å²	72	88.6 Å²	88.6	34%	0.336	46%	0.464	S	S	.	.	H	α-helix	trans	-73.3	-38.4	-179.3	-165.2	64.3	10	0	0	112.7	R94 V95 Y96 F100 L101 Y102 Y701	R94-Q98 PolarHBondContact O-N 3.03Å; V95-Q98 PolarHBondContact O-N 3.49Å; Y96-Q98 VanDerWaalsContact C-N 3.27Å; Y96-Q98 PolarHBondContact O-N 3.11Å; Q98-F100 PolarHBondContact O-N 3.23Å; Q98-L101 PolarHBondContact O-N 3.43Å; Q98-Y102 HydrophobicContact CG-CD2 4.32Å; Q98-Y102 PolarHBondContact O-N 3.16Å; Q98-Y701 HydrophobicContact CB-CE1 3.91Å; Q98-Y701 HydrophobicContact CG-CE1 3.85Å
99	I	45	Very low	41	Very low	16 Å²	16	88.5 Å²	88.5	8%	0.082	47%	0.47	C	S	.	.	H	α-helix	trans	-54.4	-38.1	168.2	-67.8	167.3	0	0	0	109.8	V95 Y96 M621 Q625 I704	V95-I99 HydrophobicContact CG1-CD1 4.1Å; V95-I99 WeakPolarHBondContact O-CG1 3.32Å; V95-I99 PolarHBondContact O-N 3.47Å; Y96-I99 PolarHBondContact O-N 3.04Å; I99-M621 HydrophobicContact CG2-CE 3.94Å; I99-M621 WeakPolarHBondContact O-CE 3.44Å; I99-Q625 HydrophobicContact CG2-CB 4.24Å; I99-Q625 HydrophobicContact CG2-CG 4.25Å; I99-I704 HydrophobicContact CD1-CD1 3.86Å; I99-I704 HydrophobicContact CG1-CD1 3.88Å
100	F	42.1	Very low	40.3	Very low	122 Å²	122	92.7 Å²	92.7	54%	0.535	49%	0.485	S	S	.	.	H	α-helix	trans	-77.6	-36.4	178.2	-136.1	-87.2	0	0	0	114.2	Y96 R97 Q98 Y102 C103	Y96-F100 HydrophobicContact CE1-CD2 4.35Å; Y96-F100 PolarHBondContact O-N 2.9Å; R97-F100 CarbonylContact O-C 3.15Å; R97-F100 WeakPolarHBondContact O-CA 3.45Å; R97-F100 WeakPolarHBondContact O-CB 3.47Å; R97-F100 PolarHBondContact O-N 3.43Å; Q98-F100 PolarHBondContact O-N 3.23Å; F100-Y102 VanDerWaalsContact C-N 3.32Å; F100-C103 WeakPolarHBondContact O-CB 3.2Å; F100-C103 PolarHBondContact O-N 2.83Å; F100-C103 VanDerWaalsContact O-N 3.11Å
101	L	44.5	Very low	39.2	Very low	75 Å²	75	96.9 Å²	96.9	39%	0.393	51%	0.509	S	S	.	.	H	α-helix	trans	-69.8	-30.4	178	-76.2	165.3	0	0	0	111.7	R97 Q98 C103 T104 N105	R97-L101 WeakPolarHBondContact O-CB 3.49Å; R97-L101 VanDerWaalsContact O-CG 3.28Å; R97-L101 WeakPolarHBondContact O-CG 3.41Å; R97-L101 PolarHBondContact O-N 2.89Å; Q98-L101 PolarHBondContact O-N 3.43Å; L101-C103 PolarHBondContact O-N 3.35Å; L101-T104 PolarHBondContact O-N 3.48Å; L101-T104 PolarHBondContact O-OG1 3.39Å; L101-N105 PolarHBondContact O-N 2.95Å
102	Y	41	Very low	38	Very low	93 Å²	93	101.4 Å²	101.4	37%	0.365	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24	168.9	-103.4	-78.9	0	0	0	113.2	Q98 F100 Y613	Q98-Y102 HydrophobicContact CG-CD2 4.32Å; Q98-Y102 PolarHBondContact O-N 3.16Å; F100-Y102 VanDerWaalsContact C-N 3.32Å; Y102-Y613 AromaticContact CE1-CE1 3.73Å; Y102-Y613 HydrophobicContact CE1-CE1 3.73Å
103	C	33	Very low	36.9	Very low	77 Å²	77	104.9 Å²	104.9	52%	0.52	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.7	-9.2	175.3	-64.6	0	0	0	0	114.3	F100 L101	F100-C103 WeakPolarHBondContact O-CB 3.2Å; F100-C103 PolarHBondContact O-N 2.83Å; F100-C103 VanDerWaalsContact O-N 3.11Å; L101-C103 PolarHBondContact O-N 3.35Å
104	T	31.4	Very low	35.7	Very low	93 Å²	93	106.4 Å²	106.4	57%	0.571	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.8	-20.3	-168.9	47.7	0	0	0	0	115.7	L101	L101-T104 PolarHBondContact O-N 3.48Å; L101-T104 PolarHBondContact O-OG1 3.39Å
105	N	28.2	Very low	34.4	Very low	137 Å²	137	109.5 Å²	109.5	73%	0.733	59%	0.585	S	S	*	*			trans	-109.3	79.1	-177.7	-73.4	-25.6	0	0	0	112.5	L101	L101-N105 PolarHBondContact O-N 2.95Å
106	S	28.3	Very low	33.3	Very low	84 Å²	84	113.9 Å²	113.9	59%	0.587	62%	0.616	S	S	*	*			trans	-138.9	76.5	164.9	-176.3	0	0	0	0	109.6
107	L	24.7	Very low	32.2	Very low	164 Å²	164	117.5 Å²	117.5	86%	0.859	64%	0.636	S	S	*	*			trans	-159	88.6	173.5	-98	154.4	0	0	0	107.1
108	N	27.2	Very low	31.2	Very low	163 Å²	163	114.6 Å²	114.6	87%	0.872	64%	0.635	S	S	*	*			trans	-161.8	88.7	153.5	-90.6	-26	0	0	0	108.3
109	G	25.7	Very low	30.4	Very low	78 Å²	78	117 Å²	117	80%	0.804	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-73.4	145.5	178.8	0	0	0	0	0	112.4
110	F	28.5	Very low	30.4	Very low	160 Å²	160	119.8 Å²	119.8	70%	0.702	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-85	139.4	169.9	-76.1	-91.1	0	0	0	109.9
111	T	23.9	Very low	30.7	Very low	140 Å²	140	116.1 Å²	116.1	86%	0.859	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-98.2	133.6	178.3	49.5	0	0	0	0	111.7
112	H	23.3	Very low	31.1	Very low	168 Å²	168	113.2 Å²	113.2	78%	0.778	64%	0.643	S	S	*	*			trans	-38.7	141.8	178.6	-79.6	-84.2	0	0	0	117.3
113	S	23.4	Very low	31.6	Very low	101 Å²	101	109.1 Å²	109.1	71%	0.706	63%	0.628	S	S	*	*			trans	-114	107.9	144.9	92.2	0	0	0	0	109	K115	S113-K115 PolarHBondContact O-N 3.04Å
114	S	23.6	Very low	32.7	Very low	107 Å²	107	108 Å²	108	75%	0.748	62%	0.619	S	S	*	*			trans	-71.5	110.8	171.6	53.3	0	0	0	0	109.7
115	K	24.7	Very low	33.9	Very low	201 Å²	201	105.4 Å²	105.4	87%	0.874	61%	0.606	S	S	*	*			trans	-98.1	90.7	161.2	-74.5	-175.6	178.8	179.3	0	107.8	S113	S113-K115 PolarHBondContact O-N 3.04Å
116	S	26.1	Very low	35.1	Very low	97 Å²	97	102.4 Å²	102.4	68%	0.678	59%	0.589	S	S	*	*			trans	-97	147.8	164.2	60	0	0	0	0	109.2
117	E	27.5	Very low	36.4	Very low	169 Å²	169	102.1 Å²	102.1	79%	0.79	58%	0.575	S	S	*	*			trans	94	77.7	179.1	-55.5	-176.7	177.1	0	0	114.6	T119	E117-T119 VanDerWaalsContact C-N 3.27Å; E117-T119 PolarHBondContact O-N 3.5Å; E117-T119 VanDerWaalsContact O-N 3.08Å
118	T	32	Very low	38	Very low	90 Å²	90	102.8 Å²	102.8	55%	0.552	57%	0.571	S	S	*	*			trans	-65.4	91.1	146.8	30.7	0	0	0	0	108.3	Y120	T118-Y120 PolarHBondContact O-N 3.18Å
119	T	34.5	Very low	39.6	Very low	121 Å²	121	102.1 Å²	102.1	74%	0.742	57%	0.566	S	S	*	*			trans	-74.2	104.1	163.7	48.9	0	0	0	0	108.2	E117 A121	E117-T119 VanDerWaalsContact C-N 3.27Å; E117-T119 PolarHBondContact O-N 3.5Å; E117-T119 VanDerWaalsContact O-N 3.08Å; T119-A121 PolarHBondContact O-N 2.98Å
120	Y	45.5	Very low	41.8	Very low	76 Å²	76	106.3 Å²	106.3	30%	0.298	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-61.9	122.6	166.1	-69.4	-86.2	0	0	0	108.6	T118 C465	T118-Y120 PolarHBondContact O-N 3.18Å; Y120-C465 HydrophobicContact CE2-CB 4.5Å; Y120-C465 WeakPolarHBondContact OH-CB 3.39Å; Y120-C465 PolarHBondContact OH-SG 2.69Å
121	A	48.6	Very low	44.3	Very low	45 Å²	45	104.5 Å²	104.5	37%	0.372	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-79	124	171.7	0	0	0	0	0	108.5	T119 A125 M126	T119-A121 PolarHBondContact O-N 2.98Å; A121-A125 HydrophobicContact CB-CB 4.06Å; A121-M126 HydrophobicContact CB-CG 3.74Å
122	S	52.8	Low	47.3	Very low	13 Å²	13	98.7 Å²	98.7	9%	0.091	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-59.3	159.4	169.2	70.5	0	0	0	0	110.7	T124 A125 M126 D450	S122-T124 PolarHBondContact O-N 2.95Å; S122-T124 VanDerWaalsContact O-N 3.15Å; S122-A125 CarbonylContact O-C 3.54Å; S122-A125 WeakPolarHBondContact O-CA 3.42Å; S122-A125 WeakPolarHBondContact O-CB 3.39Å; S122-A125 PolarHBondContact O-N 3Å; S122-A125 PolarHBondContact OG-N 3.27Å; S122-M126 PolarHBondContact O-N 2.78Å; S122-D450 VanDerWaalsContact CB-CG 3.49Å; S122-D450 WeakPolarHBondContact CB-OD1 3.42Å; S122-D450 VanDerWaalsContact CB-OD2 3.3Å; S122-D450 WeakPolarHBondContact CB-OD2 3.35Å; S122-D450 VanDerWaalsContact OG-CG 3.27Å; S122-D450 PolarHBondContact OG-OD1 3.13Å; S122-D450 VanDerWaalsContact OG-OD1 3.08Å; S122-D450 PolarHBondContact OG-OD2 2.85Å
123	P	50.4	Low	50.5	Low	7 Å²	7	96.1 Å²	96.1	5%	0.045	51%	0.512	C	S	.	.	H	α-helix	trans	-51.1	-40.1	173.6	-26.7	35.3	0	0	0	111.9	A125 M126 R127 N220 W247	P123-A125 VanDerWaalsContact C-N 3.3Å; P123-A125 PolarHBondContact O-N 2.85Å; P123-M126 PolarHBondContact O-N 3.22Å; P123-R127 VanDerWaalsContact O-CG 3.31Å; P123-R127 WeakPolarHBondContact O-CG 3.26Å; P123-R127 PolarHBondContact O-N 2.89Å; P123-N220 HydrophobicContact CG-CB 4.18Å; P123-W247 HydrophobicContact CB-CB 4.44Å; P123-W247 HydrophobicContact CG-CB 3.54Å; P123-W247 VanDerWaalsContact CG-CD1 3.49Å; P123-W247 HydrophobicContact CG-CD2 3.56Å; P123-W247 HydrophobicContact CG-CE3 4.23Å; P123-W247 HydrophobicContact CG-CG 3.25Å
124	T	55.8	Low	53.9	Low	55 Å²	55	93.1 Å²	93.1	34%	0.337	49%	0.485	S	S	.	.	H	α-helix	trans	-61.7	-36.4	177.2	-54.1	0	0	0	0	112.3	S122	S122-T124 PolarHBondContact O-N 2.95Å; S122-T124 VanDerWaalsContact O-N 3.15Å
125	A	56.2	Low	57.1	Low	37 Å²	37	93 Å²	93	31%	0.306	47%	0.473	S	S	.	.	H	α-helix	trans	-75.5	-41.4	172.9	0	0	0	0	0	112.6	A121 S122 P123 R127 K128	A121-A125 HydrophobicContact CB-CB 4.06Å; S122-A125 CarbonylContact O-C 3.54Å; S122-A125 WeakPolarHBondContact O-CA 3.42Å; S122-A125 WeakPolarHBondContact O-CB 3.39Å; S122-A125 PolarHBondContact O-N 3Å; S122-A125 PolarHBondContact OG-N 3.27Å; P123-A125 VanDerWaalsContact C-N 3.3Å; P123-A125 PolarHBondContact O-N 2.85Å; A125-R127 VanDerWaalsContact C-N 3.33Å; A125-R127 PolarHBondContact O-N 3.15Å; A125-K128 WeakPolarHBondContact O-CB 3.11Å; A125-K128 PolarHBondContact O-N 2.53Å; A125-K128 VanDerWaalsContact O-N 3.1Å
126	M	54.3	Low	60.4	Low	74 Å²	74	87 Å²	87	37%	0.365	45%	0.45	S	S	.	.	H	α-helix	trans	-62.9	-36.4	177.7	-79.9	-155.9	-81.7	0	0	113	A121 S122 P123 K128 I129 K130 W247	A121-M126 HydrophobicContact CB-CG 3.74Å; S122-M126 PolarHBondContact O-N 2.78Å; P123-M126 PolarHBondContact O-N 3.22Å; M126-K128 PolarHBondContact O-N 3.27Å; M126-K128 VanDerWaalsContact O-N 3.08Å; M126-I129 PolarHBondContact O-N 3.02Å; M126-K130 PolarHBondContact O-N 3.05Å; M126-K130 VanDerWaalsContact O-N 3.14Å; M126-W247 HydrophobicContact CE-CB 4.44Å
127	R	55.8	Low	63.6	Low	78 Å²	78	83.8 Å²	83.8	29%	0.294	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.6	173.6	-76.6	179.3	-162.8	149.5	12.6	113.3	P123 A125 S219 P223 N240	P123-R127 VanDerWaalsContact O-CG 3.31Å; P123-R127 WeakPolarHBondContact O-CG 3.26Å; P123-R127 PolarHBondContact O-N 2.89Å; A125-R127 VanDerWaalsContact C-N 3.33Å; A125-R127 PolarHBondContact O-N 3.15Å; R127-S219 PolarHBondContact NH2-O 3.32Å; R127-P223 VanDerWaalsContact NH2-CA 3.27Å; R127-P223 VanDerWaalsContact NH2-CB 3.32Å; R127-N240 PolarHBondContact NH2-ND2 2.89Å; R127-N240 VanDerWaalsContact NH2-ND2 3.17Å
128	K	57.3	Low	66.7	Low	178 Å²	178	76.5 Å²	76.5	77%	0.774	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.3	177.3	-64.3	-177.3	179.1	178.2	0	113.6	A125 M126	A125-K128 WeakPolarHBondContact O-CB 3.11Å; A125-K128 PolarHBondContact O-N 2.53Å; A125-K128 VanDerWaalsContact O-N 3.1Å; M126-K128 PolarHBondContact O-N 3.27Å; M126-K128 VanDerWaalsContact O-N 3.08Å
129	I	61.2	Low	69.6	Low	149 Å²	149	75.1 Å²	75.1	76%	0.764	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-36.4	-169.4	-55.9	175.3	0	0	0	111.6	M126	M126-I129 PolarHBondContact O-N 3.02Å
130	K	72.9	Confident	72.4	Confident	167 Å²	167	75.3 Å²	75.3	73%	0.726	38%	0.381	S	S	*	.	S	Bend	trans	-121	130.1	-176	-172.6	179	177	-175.1	0	110.2	M126 S132	M126-K130 PolarHBondContact O-N 3.05Å; M126-K130 VanDerWaalsContact O-N 3.14Å; K130-S132 PolarHBondContact O-N 3.46Å
131	I	80.5	Confident	74.7	Confident	122 Å²	122	73.3 Å²	73.3	63%	0.626	37%	0.374	S	S	*	.			trans	-62.2	128.4	170.8	-58	174.8	0	0	0	108.1	E135 I136	I131-E135 HydrophobicContact CG2-CB 4.21Å; I131-I136 HydrophobicContact CG2-CD1 4.2Å; I131-I136 HydrophobicContact CG2-CG1 3.8Å
132	S	87.5	Confident	76.7	Confident	18 Å²	18	75.2 Å²	75.2	13%	0.126	38%	0.381	C	S	.	.			trans	-74.3	148.6	-176.5	139	0	0	0	0	111.3	K130 Y134 E135 I136 E249	K130-S132 PolarHBondContact O-N 3.46Å; S132-Y134 PolarHBondContact O-N 3.41Å; S132-Y134 WeakPolarHBondContact OG-CB 3.06Å; S132-Y134 PolarHBondContact OG-N 3.46Å; S132-Y134 VanDerWaalsContact OG-N 3.13Å; S132-E135 PolarHBondContact N-OE2 3.05Å; S132-E135 PolarHBondContact O-N 3.1Å; S132-E135 PolarHBondContact OG-N 3.24Å; S132-I136 WeakPolarHBondContact O-CG1 3.41Å; S132-I136 PolarHBondContact O-N 3.47Å; S132-E249 WeakPolarHBondContact CB-OE2 3.39Å; S132-E249 PolarHBondContact OG-OE2 3.43Å
133	Q	90.6	Very high	78.6	Confident	113 Å²	113	82.5 Å²	82.5	53%	0.528	41%	0.413	S	S	.	.	H	α-helix	trans	-62.4	-35.9	174.2	-63.7	-174	-1.2	0	0	110.8	E135 I136 I137 E249 V251	Q133-E135 VanDerWaalsContact C-N 3.32Å; Q133-E135 PolarHBondContact O-N 3.41Å; Q133-I136 PolarHBondContact O-N 3.12Å; Q133-I137 WeakPolarHBondContact O-CB 3.43Å; Q133-I137 VanDerWaalsContact O-CG1 3.29Å; Q133-I137 WeakPolarHBondContact O-CG1 3.5Å; Q133-I137 PolarHBondContact O-N 3Å; Q133-E249 WeakPolarHBondContact CA-OE1 3.45Å; Q133-E249 VanDerWaalsContact CB-OE1 3.24Å; Q133-E249 WeakPolarHBondContact CB-OE1 3.28Å; Q133-E249 PolarHBondContact N-OE1 2.96Å; Q133-V251 HydrophobicContact CB-CG2 4.24Å
134	Y	93.4	Very high	80.6	Confident	39 Å²	39	84.7 Å²	84.7	15%	0.153	43%	0.432	C	S	.	.	H	α-helix	trans	-60	-41.2	175.1	170.9	-105.1	0	0	0	112.3	S132 I137 S138 A236 V238 V251	S132-Y134 PolarHBondContact O-N 3.41Å; S132-Y134 WeakPolarHBondContact OG-CB 3.06Å; S132-Y134 PolarHBondContact OG-N 3.46Å; S132-Y134 VanDerWaalsContact OG-N 3.13Å; Y134-I137 PolarHBondContact O-N 3.3Å; Y134-S138 VanDerWaalsContact CE2-OG 3.31Å; Y134-S138 WeakPolarHBondContact CE2-OG 3.01Å; Y134-S138 WeakPolarHBondContact O-CB 3.43Å; Y134-S138 PolarHBondContact O-N 2.73Å; Y134-S138 PolarHBondContact O-OG 3.31Å; Y134-A236 HydrophobicContact CD2-CB 4.16Å; Y134-A236 HydrophobicContact CE2-CB 3.97Å; Y134-A236 WeakPolarHBondContact CE2-O 3.25Å; Y134-V238 HydrophobicContact CD1-CB 4.36Å; Y134-V238 HydrophobicContact CD1-CG1 3.71Å; Y134-V238 HydrophobicContact CD2-CB 3.86Å; Y134-V238 HydrophobicContact CD2-CG1 3.88Å; Y134-V238 HydrophobicContact CE1-CG1 4.1Å; Y134-V238 HydrophobicContact CE2-CG1 4.27Å; Y134-V238 HydrophobicContact CG-CB 3.72Å; Y134-V238 HydrophobicContact CG-CG1 3.57Å; Y134-V238 HydrophobicContact CG-CG2 4.42Å; Y134-V251 HydrophobicContact CD2-CG1 4.24Å
135	E	91.4	Very high	82.4	Confident	103 Å²	103	91.2 Å²	91.2	48%	0.481	46%	0.456	S	S	.	.	H	α-helix	trans	-65.4	-42.7	177	-65.7	175.2	141.1	0	0	111.3	I131 S132 Q133 S138 A139	I131-E135 HydrophobicContact CG2-CB 4.21Å; S132-E135 PolarHBondContact N-OE2 3.05Å; S132-E135 PolarHBondContact O-N 3.1Å; S132-E135 PolarHBondContact OG-N 3.24Å; Q133-E135 VanDerWaalsContact C-N 3.32Å; Q133-E135 PolarHBondContact O-N 3.41Å; E135-S138 PolarHBondContact O-N 2.84Å; E135-A139 WeakPolarHBondContact O-CB 3.13Å; E135-A139 PolarHBondContact O-N 3.29Å
136	I	93.5	Very high	84.2	Confident	77 Å²	77	95.6 Å²	95.6	40%	0.395	47%	0.47	S	S	.	.	H	α-helix	trans	-62.9	-47.4	176.9	-64.4	167.8	0	0	0	110.7	I131 S132 Q133 K140	I131-I136 HydrophobicContact CG2-CD1 4.2Å; I131-I136 HydrophobicContact CG2-CG1 3.8Å; S132-I136 WeakPolarHBondContact O-CG1 3.41Å; S132-I136 PolarHBondContact O-N 3.47Å; Q133-I136 PolarHBondContact O-N 3.12Å; I136-K140 HydrophobicContact CG2-CD 4.43Å; I136-K140 WeakPolarHBondContact O-CG 3.2Å; I136-K140 PolarHBondContact O-N 2.91Å; I136-K140 VanDerWaalsContact O-N 3.15Å
137	I	94.2	Very high	86.2	Confident	28 Å²	28	95 Å²	95	14%	0.144	47%	0.468	C	S	.	.	H	α-helix	trans	-62.5	-49	178.2	-72.3	164.5	0	0	0	109.8	Q133 Y134 A139 K140 M141 Y148 A236 V251	Q133-I137 WeakPolarHBondContact O-CB 3.43Å; Q133-I137 VanDerWaalsContact O-CG1 3.29Å; Q133-I137 WeakPolarHBondContact O-CG1 3.5Å; Q133-I137 PolarHBondContact O-N 3Å; Y134-I137 PolarHBondContact O-N 3.3Å; I137-A139 VanDerWaalsContact C-N 3.34Å; I137-A139 PolarHBondContact O-N 3.03Å; I137-K140 PolarHBondContact O-N 3.2Å; I137-M141 HydrophobicContact CG2-CG 4.23Å; I137-M141 VanDerWaalsContact O-CG 3.31Å; I137-M141 WeakPolarHBondContact O-CG 3.28Å; I137-M141 PolarHBondContact O-N 2.57Å; I137-Y148 HydrophobicContact CD1-CE2 4.2Å; I137-Y148 HydrophobicContact CG1-CE2 4.34Å; I137-Y148 HydrophobicContact CG2-CD1 4.21Å; I137-Y148 HydrophobicContact CG2-CD2 3.39Å; I137-Y148 HydrophobicContact CG2-CE1 4.37Å; I137-Y148 HydrophobicContact CG2-CE2 3.58Å; I137-Y148 HydrophobicContact CG2-CG 3.74Å; I137-A236 HydrophobicContact CG2-CB 4.06Å; I137-V251 HydrophobicContact CD1-CB 4.14Å; I137-V251 HydrophobicContact CD1-CG1 3.83Å; I137-V251 HydrophobicContact CD1-CG2 4.39Å
138	S	92.5	Very high	88.2	Confident	17 Å²	17	92.3 Å²	92.3	12%	0.119	46%	0.458	C	S	.	.	H	α-helix	trans	-61.1	-42.5	-178.6	-66.5	0	0	0	0	111.8	Y134 E135 K140 M141 V142 T234	Y134-S138 VanDerWaalsContact CE2-OG 3.31Å; Y134-S138 WeakPolarHBondContact CE2-OG 3.01Å; Y134-S138 WeakPolarHBondContact O-CB 3.43Å; Y134-S138 PolarHBondContact O-N 2.73Å; Y134-S138 PolarHBondContact O-OG 3.31Å; E135-S138 PolarHBondContact O-N 2.84Å; S138-K140 PolarHBondContact O-N 3.25Å; S138-M141 PolarHBondContact O-N 3.48Å; S138-V142 VanDerWaalsContact O-CG2 3.3Å; S138-V142 WeakPolarHBondContact O-CG2 3.33Å; S138-V142 PolarHBondContact O-N 2.97Å; S138-T234 PolarHBondContact OG-OG1 2.84Å
139	A	91.8	Very high	90.1	Very high	61 Å²	61	89.6 Å²	89.6	50%	0.504	45%	0.448	S	S	.	.	H	α-helix	trans	-59.8	-45.7	175.5	0	0	0	0	0	112.1	E135 I137 M141 V142 E143	E135-A139 WeakPolarHBondContact O-CB 3.13Å; E135-A139 PolarHBondContact O-N 3.29Å; I137-A139 VanDerWaalsContact C-N 3.34Å; I137-A139 PolarHBondContact O-N 3.03Å; A139-M141 VanDerWaalsContact C-N 3.35Å; A139-M141 PolarHBondContact O-N 3.38Å; A139-V142 PolarHBondContact O-N 3.04Å; A139-E143 PolarHBondContact O-N 3.31Å
140	K	94.1	Very high	91.9	Very high	125 Å²	125	82.6 Å²	82.6	54%	0.543	41%	0.412	S	S	.	.	H	α-helix	trans	-61.5	-41.1	176.3	-72.6	176.7	177.8	-178.4	0	112.4	I136 I137 S138 E143 A144	I136-K140 HydrophobicContact CG2-CD 4.43Å; I136-K140 WeakPolarHBondContact O-CG 3.2Å; I136-K140 PolarHBondContact O-N 2.91Å; I136-K140 VanDerWaalsContact O-N 3.15Å; I137-K140 PolarHBondContact O-N 3.2Å; S138-K140 PolarHBondContact O-N 3.25Å; K140-E143 PolarHBondContact O-N 3.36Å; K140-A144 WeakPolarHBondContact O-CB 3.31Å; K140-A144 PolarHBondContact O-N 2.75Å
141	M	93.9	Very high	93	Very high	34 Å²	34	79.6 Å²	79.6	17%	0.167	41%	0.41	C	S	.	.	H	α-helix	trans	-68.9	-39.1	179.9	-68.6	-54.4	98.9	0	0	112.3	I137 S138 A139 E143 A144 K145 E146 Y148 T234	I137-M141 HydrophobicContact CG2-CG 4.23Å; I137-M141 VanDerWaalsContact O-CG 3.31Å; I137-M141 WeakPolarHBondContact O-CG 3.28Å; I137-M141 PolarHBondContact O-N 2.57Å; S138-M141 PolarHBondContact O-N 3.48Å; A139-M141 VanDerWaalsContact C-N 3.35Å; A139-M141 PolarHBondContact O-N 3.38Å; M141-E143 VanDerWaalsContact C-N 3.34Å; M141-A144 PolarHBondContact O-N 3.2Å; M141-K145 WeakPolarHBondContact O-CA 3.31Å; M141-K145 PolarHBondContact O-N 3.25Å; M141-E146 WeakPolarHBondContact CB-O 3.21Å; M141-E146 PolarHBondContact O-N 3.35Å; M141-Y148 HydrophobicContact CG-CD2 4.41Å; M141-Y148 VanDerWaalsContact SD-CA 3.57Å; M141-Y148 HydrophobicContact SD-CD2 4.2Å; M141-T234 HydrophobicContact CB-CG2 4.19Å
142	V	91.5	Very high	93.7	Very high	84 Å²	84	80.6 Å²	80.6	51%	0.509	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-43.1	173.7	171.3	0	0	0	0	110.9	S138 A139 K145 T234	S138-V142 VanDerWaalsContact O-CG2 3.3Å; S138-V142 WeakPolarHBondContact O-CG2 3.33Å; S138-V142 PolarHBondContact O-N 2.97Å; A139-V142 PolarHBondContact O-N 3.04Å; V142-K145 PolarHBondContact O-N 3.32Å; V142-T234 HydrophobicContact CG2-CG2 3.67Å
143	E	92.2	Very high	94.2	Very high	166 Å²	166	80 Å²	80	78%	0.776	41%	0.407	S	S	*	.	H	α-helix	trans	-64.6	-47.1	177.4	-175.3	177.2	-169.8	0	0	112.1	A139 K140 M141 K145	A139-E143 PolarHBondContact O-N 3.31Å; K140-E143 PolarHBondContact O-N 3.36Å; M141-E143 VanDerWaalsContact C-N 3.34Å; E143-K145 PolarHBondContact O-N 3.05Å
144	A	92.8	Very high	94.5	Very high	53 Å²	53	76.5 Å²	76.5	44%	0.438	39%	0.394	S	S	.	.	H	α-helix	trans	-70.5	-18	178.7	0	0	0	0	0	113.5	K140 M141 E146	K140-A144 WeakPolarHBondContact O-CB 3.31Å; K140-A144 PolarHBondContact O-N 2.75Å; M141-A144 PolarHBondContact O-N 3.2Å; A144-E146 HydrophobicContact CB-CB 4.22Å; A144-E146 HydrophobicContact CB-CG 4.2Å; A144-E146 PolarHBondContact O-N 3.32Å
145	K	91.9	Very high	94.7	Very high	193 Å²	193	75.8 Å²	75.8	84%	0.839	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	34.4	-168.9	-57.1	178.9	179.9	175.8	0	112.7	M141 V142 E143	M141-K145 WeakPolarHBondContact O-CA 3.31Å; M141-K145 PolarHBondContact O-N 3.25Å; V142-K145 PolarHBondContact O-N 3.32Å; E143-K145 PolarHBondContact O-N 3.05Å
146	E	95.2	Very high	94.9	Very high	129 Å²	129	74.5 Å²	74.5	60%	0.603	39%	0.393	S	S	*	.			trans	-115.7	158.5	179.3	-68.5	-176.1	174	0	0	110.4	M141 A144	M141-E146 WeakPolarHBondContact CB-O 3.21Å; M141-E146 PolarHBondContact O-N 3.35Å; A144-E146 HydrophobicContact CB-CB 4.22Å; A144-E146 HydrophobicContact CB-CG 4.2Å; A144-E146 PolarHBondContact O-N 3.32Å
147	L	96.6	Very high	94.9	Very high	60 Å²	60	75.4 Å²	75.4	31%	0.314	40%	0.398	S	S	.	.			trans	-93.9	134.7	172.6	-64	177.5	0	0	0	109.7	Q149 R174 Y233 T234	L147-Q149 PolarHBondContact O-N 3.4Å; L147-R174 VanDerWaalsContact CB-CZ 3.43Å; L147-R174 VanDerWaalsContact CB-NH2 3.3Å; L147-R174 PolarHBondContact O-NH2 3.06Å; L147-Y233 HydrophobicContact CD1-CE1 3.88Å; L147-Y233 HydrophobicContact CD2-CD1 3.83Å; L147-Y233 HydrophobicContact CD2-CE1 3.41Å; L147-Y233 VanDerWaalsContact CD2-CE1 3.41Å; L147-Y233 HydrophobicContact CG-CE1 4.32Å; L147-T234 WeakPolarHBondContact CA-O 3.49Å
148	Y	97.6	Very high	94.9	Very high	22 Å²	22	77.4 Å²	77.4	9%	0.086	42%	0.419	C	S	.	.			trans	-52.3	140.7	-178.9	-173.1	-125.5	0	0	0	111.7	I137 M141 D150 P151 R174 T234 A236 V251 D253	I137-Y148 HydrophobicContact CD1-CE2 4.2Å; I137-Y148 HydrophobicContact CG1-CE2 4.34Å; I137-Y148 HydrophobicContact CG2-CD1 4.21Å; I137-Y148 HydrophobicContact CG2-CD2 3.39Å; I137-Y148 HydrophobicContact CG2-CE1 4.37Å; I137-Y148 HydrophobicContact CG2-CE2 3.58Å; I137-Y148 HydrophobicContact CG2-CG 3.74Å; M141-Y148 HydrophobicContact CG-CD2 4.41Å; M141-Y148 VanDerWaalsContact SD-CA 3.57Å; M141-Y148 HydrophobicContact SD-CD2 4.2Å; Y148-D150 HydrophobicContact CE1-CB 3.89Å; Y148-P151 WeakPolarHBondContact OH-CD 3.34Å; Y148-R174 PolarHBondContact O-NH1 3.37Å; Y148-R174 PolarHBondContact O-NH2 3.36Å; Y148-T234 PolarHBondContact N-O 3.4Å; Y148-A236 HydrophobicContact CD1-CB 3.65Å; Y148-A236 HydrophobicContact CG-CB 3.9Å; Y148-V251 HydrophobicContact CE1-CG1 4.1Å; Y148-D253 HydrophobicContact CD1-CB 3.84Å; Y148-D253 HydrophobicContact CE1-CB 4.47Å; Y148-D253 WeakPolarHBondContact O-CB 3.26Å
149	Q	97.9	Very high	95	Very high	122 Å²	122	76.7 Å²	76.7	57%	0.57	41%	0.414	S	S	*	.			trans	-130.6	116.3	171.9	-62.4	-165.9	45	0	0	106.4	L147 P151 R255	L147-Q149 PolarHBondContact O-N 3.4Å; Q149-P151 VanDerWaalsContact O-CD 3.24Å; Q149-P151 WeakPolarHBondContact O-CD 3.23Å; Q149-R255 VanDerWaalsContact CA-NH2 3.28Å; Q149-R255 VanDerWaalsContact CB-NH2 3.32Å
150	D	97.7	Very high	95.2	Very high	2 Å²	2	74 Å²	74	1%	0.011	39%	0.391	C	S	.	.			trans	-72.8	114.7	-175.1	-168.5	-20.1	0	0	0	110.3	Y148 E152 F153 P154 V251 D253 K287	Y148-D150 HydrophobicContact CE1-CB 3.89Å; D150-E152 VanDerWaalsContact C-N 3.31Å; D150-E152 PolarHBondContact OD1-N 2.84Å; D150-F153 CarbonylContact O-C 3.57Å; D150-F153 PolarHBondContact OD1-N 2.81Å; D150-P154 WeakPolarHBondContact O-CA 3.37Å; D150-V251 VanDerWaalsContact OD2-O 3.08Å; D150-D253 HydrophobicContact CB-CB 4.31Å; D150-D253 WeakPolarHBondContact CB-OD2 3.34Å; D150-D253 PolarHBondContact N-OD2 3.21Å; D150-K287 VanDerWaalsContact CG-NZ 3.33Å; D150-K287 IonicContact OD1-NZ 2.69Å; D150-K287 PolarHBondContact OD1-NZ 3.05Å; D150-K287 VanDerWaalsContact OD1-NZ 3.1Å; D150-K287 WeakPolarHBondContact OD2-CD 3.32Å; D150-K287 IonicContact OD2-NZ 3.66Å; D150-K287 PolarHBondContact OD2-NZ 2.74Å
151	P	96.5	Very high	95	Very high	104 Å²	104	69.4 Å²	69.4	68%	0.675	38%	0.38	S	S	*	.	S	Bend	trans	-74.2	-24.5	179.4	30.9	-33.4	0	0	0	112.4	Y148 Q149	Y148-P151 WeakPolarHBondContact OH-CD 3.34Å; Q149-P151 VanDerWaalsContact O-CD 3.24Å; Q149-P151 WeakPolarHBondContact O-CD 3.23Å
152	E	95.4	Very high	94.9	Very high	143 Å²	143	74.5 Å²	74.5	67%	0.668	41%	0.407	S	S	*	.	S	Bend	trans	-87	-22.5	-178.4	-60.1	177.3	145.5	0	0	112	D150 K287	D150-E152 VanDerWaalsContact C-N 3.31Å; D150-E152 PolarHBondContact OD1-N 2.84Å; E152-K287 VanDerWaalsContact OE2-CE 3.27Å; E152-K287 WeakPolarHBondContact OE2-CE 3.46Å; E152-K287 IonicContact OE2-NZ 3.04Å; E152-K287 PolarHBondContact OE2-NZ 3.49Å
153	F	97.3	Very high	94.9	Very high	5 Å²	5	71 Å²	71	2%	0.022	39%	0.386	C	S	.	.	S	Bend	trans	-135.5	68.2	177.9	-156.1	-104.9	0	0	0	110.9	D150 S159 K283 A286 K287 Y292	D150-F153 CarbonylContact O-C 3.57Å; D150-F153 PolarHBondContact OD1-N 2.81Å; F153-S159 WeakPolarHBondContact CG-OG 3.49Å; F153-S159 WeakPolarHBondContact CZ-O 3.19Å; F153-K283 HydrophobicContact CD1-CG 4.17Å; F153-K283 HydrophobicContact CE1-CG 3.92Å; F153-A286 HydrophobicContact CE1-CB 4.43Å; F153-A286 HydrophobicContact CZ-CB 3.78Å; F153-K287 HydrophobicContact CB-CB 4.07Å; F153-K287 HydrophobicContact CB-CD 3.79Å; F153-K287 HydrophobicContact CB-CG 3.87Å; F153-K287 HydrophobicContact CD1-CB 4.19Å; F153-K287 VanDerWaalsContact CD2-CA 3.49Å; F153-K287 HydrophobicContact CD2-CB 3.67Å; F153-K287 HydrophobicContact CD2-CG 4.03Å; F153-K287 VanDerWaalsContact CE2-CA 3.47Å; F153-K287 HydrophobicContact CE2-CB 4.08Å; F153-K287 HydrophobicContact CG-CB 3.72Å; F153-K287 HydrophobicContact CG-CD 4.4Å; F153-K287 HydrophobicContact CG-CG 4.05Å; F153-K287 HydrophobicContact CZ-CB 4.49Å; F153-Y292 HydrophobicContact CE1-CD2 4.27Å; F153-Y292 AromaticContact CE1-CE2 3.91Å; F153-Y292 HydrophobicContact CE1-CE2 3.91Å; F153-Y292 HydrophobicContact CZ-CD2 4.06Å; F153-Y292 HydrophobicContact CZ-CE2 4.15Å
154	P	97.4	Very high	94.8	Very high	39 Å²	39	68 Å²	68	25%	0.253	38%	0.381	S	S	.	.			trans	-65.5	148.5	-171	28	-36.3	0	0	0	112.1	D150 N156 S159	D150-P154 WeakPolarHBondContact O-CA 3.37Å; P154-N156 PolarHBondContact O-N 3.05Å; P154-S159 WeakPolarHBondContact CD-OG 3.29Å; P154-S159 WeakPolarHBondContact O-CB 3.28Å; P154-S159 PolarHBondContact O-OG 3.43Å
155	A	97.2	Very high	94.6	Very high	25 Å²	25	69.9 Å²	69.9	21%	0.207	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	63.6	177.7	0	0	0	0	0	112.4	W172 R255	A155-W172 VanDerWaalsContact C-CD1 3.5Å; A155-W172 HydrophobicContact CB-CB 3.81Å; A155-W172 HydrophobicContact CB-CD2 3.66Å; A155-W172 HydrophobicContact CB-CE3 3.77Å; A155-W172 HydrophobicContact CB-CG 3.71Å; A155-W172 HydrophobicContact CB-CZ3 4.45Å; A155-W172 VanDerWaalsContact O-CD1 3.27Å; A155-R255 HydrophobicContact CB-CB 4.04Å
156	N	95.4	Very high	94.5	Very high	75 Å²	75	61.1 Å²	61.1	40%	0.401	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.3	-174.3	179.3	67.2	30	0	0	0	110.8	P154 A158 S159	P154-N156 PolarHBondContact O-N 3.05Å; N156-A158 PolarHBondContact O-N 2.87Å; N156-A158 VanDerWaalsContact OD1-CB 3.23Å; N156-A158 WeakPolarHBondContact OD1-CB 3.44Å; N156-A158 PolarHBondContact OD1-N 3.41Å; N156-S159 PolarHBondContact O-N 3.25Å
157	D	93.5	Very high	94.1	Very high	96 Å²	96	58.5 Å²	58.5	51%	0.513	34%	0.339	S	S	.	.	H	α-helix	trans	-63.4	-21.6	-175.6	-68.6	-21.8	0	0	0	114.3	S159 I160 G161	D157-S159 VanDerWaalsContact C-N 3.31Å; D157-S159 PolarHBondContact O-N 3.17Å; D157-I160 PolarHBondContact O-N 2.75Å; D157-G161 PolarHBondContact O-N 3.24Å
158	A	93.7	Very high	93.7	Very high	70 Å²	70	58 Å²	58	58%	0.579	35%	0.348	S	S	*	.	H	α-helix	trans	-63.4	-38.9	178.1	0	0	0	0	0	111.8	N156 G161	N156-A158 PolarHBondContact O-N 2.87Å; N156-A158 VanDerWaalsContact OD1-CB 3.23Å; N156-A158 WeakPolarHBondContact OD1-CB 3.44Å; N156-A158 PolarHBondContact OD1-N 3.41Å; A158-G161 PolarHBondContact O-N 2.99Å
159	S	96	Very high	93.5	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.014	37%	0.373	C	S	.	.	H	α-helix	trans	-75.1	-26.6	177.2	-65.8	0	0	0	0	113.1	F153 P154 N156 D157 S291 Y292	F153-S159 WeakPolarHBondContact CG-OG 3.49Å; F153-S159 WeakPolarHBondContact CZ-O 3.19Å; P154-S159 WeakPolarHBondContact CD-OG 3.29Å; P154-S159 WeakPolarHBondContact O-CB 3.28Å; P154-S159 PolarHBondContact O-OG 3.43Å; N156-S159 PolarHBondContact O-N 3.25Å; D157-S159 VanDerWaalsContact C-N 3.31Å; D157-S159 PolarHBondContact O-N 3.17Å; S159-S291 WeakPolarHBondContact O-CA 3.39Å; S159-S291 WeakPolarHBondContact O-CB 3.43Å; S159-Y292 WeakPolarHBondContact O-CD2 3.48Å; S159-Y292 PolarHBondContact O-N 3.33Å
160	I	95.2	Very high	93.4	Very high	4 Å²	4	60 Å²	60	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-71.1	-42.8	172.3	-58.3	-61.2	0	0	0	110.1	D157 L163 V166 V170 W172 P257 F267 Y292 A293	D157-I160 PolarHBondContact O-N 2.75Å; I160-L163 HydrophobicContact CG2-CB 4.37Å; I160-L163 HydrophobicContact CG2-CD1 3.98Å; I160-V166 HydrophobicContact CG2-CG2 3.74Å; I160-V170 HydrophobicContact CD1-CG1 4.29Å; I160-W172 HydrophobicContact CD1-CH2 4.26Å; I160-W172 HydrophobicContact CD1-CZ2 3.56Å; I160-W172 HydrophobicContact CG1-CZ2 3.91Å; I160-P257 HydrophobicContact CD1-CB 4.09Å; I160-P257 HydrophobicContact CD1-CG 3.9Å; I160-F267 HydrophobicContact CD1-CE2 3.8Å; I160-F267 HydrophobicContact CD1-CZ 4.14Å; I160-Y292 HydrophobicContact CD1-CD2 4.08Å; I160-A293 WeakPolarHBondContact O-CB 3.33Å; I160-A293 PolarHBondContact O-N 3.29Å
161	G	91.4	Very high	93.3	Very high	30 Å²	30	63.4 Å²	63.4	31%	0.309	37%	0.368	S	S	.	.			trans	77.2	-164.7	-175.5	0	0	0	0	0	112.8	D157 A158 L163	D157-G161 PolarHBondContact O-N 3.24Å; A158-G161 PolarHBondContact O-N 2.99Å; G161-L163 PolarHBondContact O-N 3.4Å
162	N	90.4	Very high	93.4	Very high	140 Å²	140	60.4 Å²	60.4	75%	0.749	34%	0.344	S	S	*	.	S	Bend	trans	-78.2	84.9	-176.7	-174.4	17.3	0	0	0	112.3
163	L	91.1	Very high	93.5	Very high	10 Å²	10	55.2 Å²	55.2	5%	0.052	32%	0.319	C	S	.	.			trans	-123.8	89.9	172.6	-68.2	169.4	0	0	0	110.2	I160 G161 H165 V166 S167 L199 F267 A293	I160-L163 HydrophobicContact CG2-CB 4.37Å; I160-L163 HydrophobicContact CG2-CD1 3.98Å; G161-L163 PolarHBondContact O-N 3.4Å; L163-H165 PolarHBondContact O-N 2.93Å; L163-H165 VanDerWaalsContact O-N 3.09Å; L163-V166 HydrophobicContact CB-CG2 3.41Å; L163-V166 VanDerWaalsContact CB-CG2 3.41Å; L163-V166 HydrophobicContact CD1-CG2 4.11Å; L163-V166 HydrophobicContact CG-CG2 4.41Å; L163-V166 WeakPolarHBondContact O-CG2 3.35Å; L163-V166 PolarHBondContact O-N 3.21Å; L163-V166 VanDerWaalsContact O-N 3.14Å; L163-S167 PolarHBondContact O-N 3.42Å; L163-L199 HydrophobicContact CD1-CD1 3.81Å; L163-L199 HydrophobicContact CD2-CD1 4.07Å; L163-F267 HydrophobicContact CD1-CE1 4.3Å; L163-F267 HydrophobicContact CD1-CZ 4.2Å; L163-A293 HydrophobicContact CD1-CB 4.26Å; L163-A293 HydrophobicContact CD2-CB 4.2Å; L163-A293 HydrophobicContact CG-CB 3.79Å
164	P	89.8	Confident	93.6	Very high	103 Å²	103	56.5 Å²	56.5	67%	0.669	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.3	-173.8	-27.7	35.1	0	0	0	115
165	H	89.9	Confident	93.6	Very high	94 Å²	94	54.6 Å²	54.6	44%	0.435	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-18.4	-177.3	57.7	-85.2	0	0	0	113.9	L163 R169	L163-H165 PolarHBondContact O-N 2.93Å; L163-H165 VanDerWaalsContact O-N 3.09Å; H165-R169 PolarHBondContact O-NH1 3.43Å
166	V	89.7	Confident	93.5	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.048	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-19.3	174.6	-55.6	0	0	0	0	113.1	I160 L163 G168 R169 V170 V266	I160-V166 HydrophobicContact CG2-CG2 3.74Å; L163-V166 HydrophobicContact CB-CG2 3.41Å; L163-V166 VanDerWaalsContact CB-CG2 3.41Å; L163-V166 HydrophobicContact CD1-CG2 4.11Å; L163-V166 HydrophobicContact CG-CG2 4.41Å; L163-V166 WeakPolarHBondContact O-CG2 3.35Å; L163-V166 PolarHBondContact O-N 3.21Å; L163-V166 VanDerWaalsContact O-N 3.14Å; V166-G168 PolarHBondContact O-N 3.24Å; V166-R169 WeakPolarHBondContact O-CA 3.04Å; V166-R169 WeakPolarHBondContact O-CB 3.33Å; V166-R169 PolarHBondContact O-N 3.42Å; V166-V170 HydrophobicContact CB-CG2 4.06Å; V166-V170 HydrophobicContact CG2-CG2 4.43Å; V166-V266 HydrophobicContact CG1-CG1 3.91Å
167	S	86.2	Confident	93.5	Very high	75 Å²	75	58.9 Å²	58.9	52%	0.524	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	130.8	-177.2	-170.6	0	0	0	0	112.3	L163 R169	L163-S167 PolarHBondContact O-N 3.42Å; S167-R169 PolarHBondContact O-N 2.81Å
168	G	88.2	Confident	93.7	Very high	48 Å²	48	55.3 Å²	55.3	50%	0.495	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-1.8	-177.5	0	0	0	0	0	116	V166	V166-G168 PolarHBondContact O-N 3.24Å
169	R	93.5	Very high	93.8	Very high	164 Å²	164	53.6 Å²	53.6	62%	0.619	29%	0.289	S	S	*	.	S	Bend	trans	-109.6	8.9	-179.3	-55.9	177.3	-178.2	176.3	-3	113.3	H165 V166 S167 K260	H165-R169 PolarHBondContact O-NH1 3.43Å; V166-R169 WeakPolarHBondContact O-CA 3.04Å; V166-R169 WeakPolarHBondContact O-CB 3.33Å; V166-R169 PolarHBondContact O-N 3.42Å; S167-R169 PolarHBondContact O-N 2.81Å; R169-K260 WeakPolarHBondContact O-CB 3.39Å; R169-K260 PolarHBondContact O-N 2.83Å
170	V	96.1	Very high	93.7	Very high	22 Å²	22	59 Å²	59	13%	0.133	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.1	-177.2	-179.7	0	0	0	0	110.4	I160 V166 P257 V258 V266	I160-V170 HydrophobicContact CD1-CG1 4.29Å; V166-V170 HydrophobicContact CB-CG2 4.06Å; V166-V170 HydrophobicContact CG2-CG2 4.43Å; V170-P257 HydrophobicContact CG1-CB 3.72Å; V170-V258 WeakPolarHBondContact CA-O 3.3Å; V170-V266 HydrophobicContact CG2-CG2 4.26Å
171	E	96.7	Very high	93.7	Very high	75 Å²	75	65.4 Å²	65.4	35%	0.35	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152.8	165	-176.9	-176.2	172.8	0	0	107.8	K173 V258 G261	E171-K173 HydrophobicContact CG-CG 4.39Å; E171-K173 WeakPolarHBondContact OE1-CE 3.49Å; E171-K173 IonicContact OE1-NZ 2.83Å; E171-K173 VanDerWaalsContact OE2-CE 3.31Å; E171-K173 WeakPolarHBondContact OE2-CE 3.4Å; E171-K173 IonicContact OE2-NZ 3.02Å; E171-V258 HydrophobicContact CB-CG2 4.07Å; E171-V258 PolarHBondContact N-O 3.24Å; E171-V258 WeakPolarHBondContact O-CG2 3.06Å; E171-V258 PolarHBondContact O-N 3.45Å; E171-G261 PolarHBondContact OE2-N 3.08Å
172	W	97.9	Very high	93.9	Very high	40 Å²	40	64.2 Å²	64.2	15%	0.152	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.3	179.1	-69.8	83.2	0	0	0	110.2	A155 I160 R255 I256 P257 Y292	A155-W172 VanDerWaalsContact C-CD1 3.5Å; A155-W172 HydrophobicContact CB-CB 3.81Å; A155-W172 HydrophobicContact CB-CD2 3.66Å; A155-W172 HydrophobicContact CB-CE3 3.77Å; A155-W172 HydrophobicContact CB-CG 3.71Å; A155-W172 HydrophobicContact CB-CZ3 4.45Å; A155-W172 VanDerWaalsContact O-CD1 3.27Å; I160-W172 HydrophobicContact CD1-CH2 4.26Å; I160-W172 HydrophobicContact CD1-CZ2 3.56Å; I160-W172 HydrophobicContact CG1-CZ2 3.91Å; W172-R255 HydrophobicContact CB-CB 4.36Å; W172-R255 HydrophobicContact CE3-CB 4.14Å; W172-R255 VanDerWaalsContact CE3-O 3.24Å; W172-R255 VanDerWaalsContact CZ3-O 3.31Å; W172-R255 WeakPolarHBondContact CZ3-O 3.47Å; W172-I256 WeakPolarHBondContact CA-O 3.39Å; W172-P257 HydrophobicContact CD2-CG 4.22Å; W172-P257 HydrophobicContact CE3-CG 3.89Å; W172-P257 HydrophobicContact CH2-CG 3.59Å; W172-P257 HydrophobicContact CZ2-CG 3.89Å; W172-P257 HydrophobicContact CZ3-CG 3.57Å; W172-Y292 AromaticContact CH2-CE2 3.97Å; W172-Y292 HydrophobicContact CH2-CE2 3.97Å
173	K	98.2	Very high	94.1	Very high	35 Å²	35	58.2 Å²	58.2	15%	0.152	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.5	-177.5	-67.3	-171	-175.3	174.4	0	111.4	E171 D177 I178 R255 I256 V258 T262	E171-K173 HydrophobicContact CG-CG 4.39Å; E171-K173 WeakPolarHBondContact OE1-CE 3.49Å; E171-K173 IonicContact OE1-NZ 2.83Å; E171-K173 VanDerWaalsContact OE2-CE 3.31Å; E171-K173 WeakPolarHBondContact OE2-CE 3.4Å; E171-K173 IonicContact OE2-NZ 3.02Å; K173-D177 HydrophobicContact CB-CB 4.29Å; K173-I178 HydrophobicContact CB-CD1 4.09Å; K173-I178 HydrophobicContact CB-CG1 3.7Å; K173-I178 HydrophobicContact CD-CG1 4.44Å; K173-R255 CarbonylContact O-C 3.54Å; K173-R255 WeakPolarHBondContact O-CA 3.47Å; K173-I256 PolarHBondContact N-O 3.41Å; K173-I256 PolarHBondContact O-N 2.99Å; K173-V258 HydrophobicContact CB-CG2 4.33Å; K173-V258 HydrophobicContact CD-CG2 3.83Å; K173-V258 HydrophobicContact CG-CG2 3.84Å; K173-T262 PolarHBondContact NZ-O 3.18Å
174	R	97.7	Very high	94.2	Very high	31 Å²	31	58.4 Å²	58.4	12%	0.117	32%	0.315	C	S	.	.			trans	-75.7	156.4	171.3	-61.2	-166.8	-178.6	-95	4.2	109.7	L147 Y148 K176 D177 I178 D254 R255	L147-R174 VanDerWaalsContact CB-CZ 3.43Å; L147-R174 VanDerWaalsContact CB-NH2 3.3Å; L147-R174 PolarHBondContact O-NH2 3.06Å; Y148-R174 PolarHBondContact O-NH1 3.37Å; Y148-R174 PolarHBondContact O-NH2 3.36Å; R174-K176 PolarHBondContact O-N 2.87Å; R174-K176 VanDerWaalsContact O-N 3.13Å; R174-D177 WeakPolarHBondContact CB-OD2 3.43Å; R174-D177 PolarHBondContact N-OD2 3.22Å; R174-D177 WeakPolarHBondContact O-CB 3.31Å; R174-D177 PolarHBondContact O-N 3.14Å; R174-I178 PolarHBondContact O-N 2.99Å; R174-D254 WeakPolarHBondContact CD-OD1 3.37Å; R174-D254 VanDerWaalsContact CG-OD1 3.32Å; R174-D254 WeakPolarHBondContact CG-OD1 3.34Å; R174-D254 IonicContact CZ-OD1 2.88Å; R174-D254 IonicContact NE-OD1 3.79Å; R174-D254 IonicContact NH1-OD1 3Å; R174-D254 PolarHBondContact NH1-OD1 3.18Å; R174-R255 HydrophobicContact CG-CG 3.78Å
175	P	97.1	Very high	94.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-33.1	-174.7	-30.7	42.8	0	0	0	113.1	D177 I178 N179 A182 F228 D254 I256 F276	P175-D177 VanDerWaalsContact C-N 3.33Å; P175-D177 PolarHBondContact O-N 2.97Å; P175-I178 WeakPolarHBondContact O-CB 3.28Å; P175-I178 PolarHBondContact O-N 2.91Å; P175-N179 PolarHBondContact O-N 3.39Å; P175-N179 VanDerWaalsContact O-O 3.1Å; P175-A182 HydrophobicContact CB-CB 3.71Å; P175-A182 WeakPolarHBondContact O-CB 3.45Å; P175-F228 HydrophobicContact CB-CE1 3.96Å; P175-F228 HydrophobicContact CB-CE2 4.37Å; P175-F228 HydrophobicContact CB-CZ 3.88Å; P175-F228 HydrophobicContact CG-CE1 3.6Å; P175-F228 HydrophobicContact CG-CZ 3.63Å; P175-D254 VanDerWaalsContact CD-O 3.25Å; P175-D254 WeakPolarHBondContact CD-O 3.5Å; P175-D254 WeakPolarHBondContact CD-OD2 3.48Å; P175-D254 HydrophobicContact CG-CB 4.2Å; P175-I256 HydrophobicContact CG-CG1 4.4Å; P175-F276 HydrophobicContact CB-CB 4.48Å; P175-F276 HydrophobicContact CB-CD1 3.84Å; P175-F276 HydrophobicContact CB-CD2 3.88Å; P175-F276 HydrophobicContact CB-CE1 3.95Å; P175-F276 HydrophobicContact CB-CE2 4Å; P175-F276 HydrophobicContact CB-CG 3.8Å; P175-F276 HydrophobicContact CB-CZ 4.03Å; P175-F276 HydrophobicContact CG-CD1 4.09Å; P175-F276 HydrophobicContact CG-CG 4.21Å
176	K	95.6	Very high	94.1	Very high	83 Å²	83	53.6 Å²	53.6	36%	0.361	29%	0.292	S	S	.	.	H	α-helix	trans	-69.9	-25.9	175.6	-69.4	-178.4	-180	168	0	114.5	R174 I178 N179 A182 F228	R174-K176 PolarHBondContact O-N 2.87Å; R174-K176 VanDerWaalsContact O-N 3.13Å; K176-I178 VanDerWaalsContact C-N 3.32Å; K176-N179 WeakPolarHBondContact CA-O 3.32Å; K176-N179 CarbonylContact O-C 3.56Å; K176-A182 HydrophobicContact CG-CB 4.45Å; K176-F228 WeakPolarHBondContact CE-O 3.48Å; K176-F228 PolarHBondContact NZ-O 3.4Å
177	D	96.4	Very high	93.7	Very high	107 Å²	107	62.4 Å²	62.4	57%	0.572	33%	0.329	S	S	*	.	H	α-helix	trans	-79.8	-23.1	174.1	-53.5	-39.2	0	0	0	111.1	K173 R174 P175	K173-D177 HydrophobicContact CB-CB 4.29Å; R174-D177 WeakPolarHBondContact CB-OD2 3.43Å; R174-D177 PolarHBondContact N-OD2 3.22Å; R174-D177 WeakPolarHBondContact O-CB 3.31Å; R174-D177 PolarHBondContact O-N 3.14Å; P175-D177 VanDerWaalsContact C-N 3.33Å; P175-D177 PolarHBondContact O-N 2.97Å
178	I	97	Very high	93.8	Very high	21 Å²	21	62.6 Å²	62.6	11%	0.108	33%	0.33	C	S	.	.	H	α-helix	trans	-81.1	-51.3	175.3	-64	173.1	0	0	0	110	K173 R174 P175 K176 I256 V258 C263 F276	K173-I178 HydrophobicContact CB-CD1 4.09Å; K173-I178 HydrophobicContact CB-CG1 3.7Å; K173-I178 HydrophobicContact CD-CG1 4.44Å; R174-I178 PolarHBondContact O-N 2.99Å; P175-I178 WeakPolarHBondContact O-CB 3.28Å; P175-I178 PolarHBondContact O-N 2.91Å; K176-I178 VanDerWaalsContact C-N 3.32Å; I178-I256 HydrophobicContact CD1-CB 3.98Å; I178-I256 HydrophobicContact CD1-CG1 4.45Å; I178-V258 HydrophobicContact CD1-CG1 3.53Å; I178-V258 HydrophobicContact CG1-CG1 3.99Å; I178-C263 HydrophobicContact CG2-CB 3.99Å; I178-C263 VanDerWaalsContact CG2-O 3.3Å; I178-C263 WeakPolarHBondContact CG2-O 3.46Å; I178-F276 HydrophobicContact CB-CE1 4.25Å; I178-F276 HydrophobicContact CB-CZ 4.11Å; I178-F276 HydrophobicContact CD1-CE1 4.02Å; I178-F276 HydrophobicContact CG2-CE1 3.98Å; I178-F276 HydrophobicContact CG2-CZ 3.82Å
179	N	96	Very high	93.8	Very high	34 Å²	34	63.4 Å²	63.4	18%	0.182	32%	0.319	C	S	.	.			trans	-142.5	119.6	179.1	-173.6	-20.7	0	0	0	110.2	P175 K176 L181 A182 N273 F276	P175-N179 PolarHBondContact O-N 3.39Å; P175-N179 VanDerWaalsContact O-O 3.1Å; K176-N179 WeakPolarHBondContact CA-O 3.32Å; K176-N179 CarbonylContact O-C 3.56Å; N179-L181 PolarHBondContact O-N 3.01Å; N179-L181 PolarHBondContact OD1-N 2.84Å; N179-A182 VanDerWaalsContact O-CB 3.22Å; N179-A182 WeakPolarHBondContact O-CB 3.47Å; N179-A182 PolarHBondContact O-N 3.39Å; N179-N273 PolarHBondContact ND2-O 3.39Å; N179-F276 HydrophobicContact CB-CE2 4.39Å; N179-F276 HydrophobicContact CB-CZ 4.28Å
180	P	94.4	Very high	93.5	Very high	114 Å²	114	57 Å²	57	74%	0.74	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.9	178.4	-25.8	34.7	0	0	0	114.8	A182	P180-A182 VanDerWaalsContact C-N 3.33Å
181	L	94.6	Very high	92.8	Very high	139 Å²	139	57.8 Å²	57.8	73%	0.728	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	11.8	177.6	-60.2	179.7	0	0	0	113.5	N179 A183	N179-L181 PolarHBondContact O-N 3.01Å; N179-L181 PolarHBondContact OD1-N 2.84Å; L181-A183 PolarHBondContact O-N 2.93Å
182	A	95.6	Very high	92.1	Very high	5 Å²	5	57 Å²	57	4%	0.041	30%	0.296	C	S	.	.			trans	-49.1	127.5	-177	0	0	0	0	0	113.3	P175 K176 N179 P180 S274 F276	P175-A182 HydrophobicContact CB-CB 3.71Å; P175-A182 WeakPolarHBondContact O-CB 3.45Å; K176-A182 HydrophobicContact CG-CB 4.45Å; N179-A182 VanDerWaalsContact O-CB 3.22Å; N179-A182 WeakPolarHBondContact O-CB 3.47Å; N179-A182 PolarHBondContact O-N 3.39Å; P180-A182 VanDerWaalsContact C-N 3.33Å; A182-S274 CarbonylContact C-O 3.52Å; A182-S274 WeakPolarHBondContact CA-O 3.4Å; A182-F276 HydrophobicContact CB-CD2 3.88Å; A182-F276 HydrophobicContact CB-CE2 3.54Å; A182-F276 HydrophobicContact CB-CZ 4.39Å
183	A	94.5	Very high	91.6	Very high	15 Å²	15	55.9 Å²	55.9	12%	0.124	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-128.7	147.3	178.4	0	0	0	0	0	109.1	L181 T186 F228 S274 F276	L181-A183 PolarHBondContact O-N 2.93Å; A183-T186 HydrophobicContact CB-CG2 3.92Å; A183-F228 WeakPolarHBondContact O-CE2 3.27Å; A183-S274 PolarHBondContact N-O 2.86Å; A183-F276 PolarHBondContact O-N 3.47Å
184	F	93.7	Very high	91.1	Very high	13 Å²	13	54.2 Å²	54.2	6%	0.057	29%	0.285	C	S	.	.	S	Bend	trans	-68.3	-53.3	178.8	-179.4	-105.4	0	0	0	109.1	Y189 I222 Q226 F228 F237 F239 E275 W277 L280	F184-Y189 HydrophobicContact CE1-CE1 4.37Å; F184-I222 HydrophobicContact CE1-CG2 3.65Å; F184-I222 HydrophobicContact CZ-CG2 3.68Å; F184-Q226 HydrophobicContact CD1-CB 4.14Å; F184-Q226 HydrophobicContact CE1-CB 4.11Å; F184-Q226 HydrophobicContact CG-CB 4.35Å; F184-Q226 HydrophobicContact CZ-CB 4.3Å; F184-F228 VanDerWaalsContact CA-CE2 3.45Å; F184-F228 HydrophobicContact CB-CD2 4.15Å; F184-F228 HydrophobicContact CB-CE2 3.97Å; F184-F228 VanDerWaalsContact N-CE2 3.31Å; F184-F237 HydrophobicContact CB-CE1 4.38Å; F184-F237 AromaticContact CD2-CD1 3.48Å; F184-F237 HydrophobicContact CD2-CD1 3.48Å; F184-F237 VanDerWaalsContact CD2-CD1 3.48Å; F184-F237 AromaticContact CD2-CE1 3.37Å; F184-F237 HydrophobicContact CD2-CE1 3.37Å; F184-F237 HydrophobicContact CD2-CZ 4.47Å; F184-F237 AromaticContact CE2-CD1 3.47Å; F184-F237 HydrophobicContact CE2-CD1 3.47Å; F184-F237 VanDerWaalsContact CE2-CD1 3.47Å; F184-F237 AromaticContact CE2-CE1 3.9Å; F184-F237 HydrophobicContact CE2-CE1 3.9Å; F184-F237 HydrophobicContact CE2-CG 4.44Å; F184-F237 HydrophobicContact CG-CD1 4.45Å; F184-F237 HydrophobicContact CG-CE1 4.09Å; F184-F237 HydrophobicContact CZ-CD1 4.44Å; F184-F239 HydrophobicContact CE2-CE1 4.38Å; F184-F239 AromaticContact CE2-CZ 3.97Å; F184-F239 HydrophobicContact CE2-CZ 3.97Å; F184-F239 HydrophobicContact CZ-CE1 4.02Å; F184-F239 HydrophobicContact CZ-CZ 4.07Å; F184-E275 WeakPolarHBondContact O-CG 3.36Å; F184-W277 HydrophobicContact CD1-CB 4.4Å; F184-W277 HydrophobicContact CD2-CB 4.31Å; F184-W277 HydrophobicContact CE1-CB 4.09Å; F184-W277 HydrophobicContact CE2-CB 4Å; F184-W277 HydrophobicContact CZ-CB 3.89Å; F184-W277 VanDerWaalsContact O-CB 3.29Å; F184-W277 WeakPolarHBondContact O-CB 3.4Å; F184-W277 PolarHBondContact O-N 3.15Å; F184-L280 HydrophobicContact CD2-CD1 3.98Å; F184-L280 HydrophobicContact CE2-CD1 3.97Å
185	C	91.2	Very high	90.7	Very high	37 Å²	37	54.2 Å²	54.2	25%	0.25	29%	0.287	C	S	.	.			trans	-136.7	137.2	166	-179.9	0	0	0	0	108.8	S188 Y189 E275	C185-S188 VanDerWaalsContact SG-C 3.51Å; C185-S188 PolarHBondContact SG-N 3.48Å; C185-Y189 HydrophobicContact CB-CD1 4.3Å; C185-Y189 HydrophobicContact CB-CE1 3.86Å; C185-E275 VanDerWaalsContact CA-OE2 3.24Å; C185-E275 WeakPolarHBondContact CA-OE2 3.47Å; C185-E275 PolarHBondContact SG-OE2 2.98Å
186	T	85.5	Confident	90.2	Very high	60 Å²	60	55.2 Å²	55.2	37%	0.368	29%	0.292	S	S	.	.	S	Bend	trans	-87.7	-34.7	-177	62.1	0	0	0	0	112.7	A183 D272 S274 E275	A183-T186 HydrophobicContact CB-CG2 3.92Å; T186-D272 PolarHBondContact OG1-OD2 3.31Å; T186-S274 WeakPolarHBondContact CG2-OG 3.21Å; T186-E275 HydrophobicContact CG2-CB 4.21Å; T186-E275 PolarHBondContact N-OE2 2.97Å; T186-E275 PolarHBondContact OG1-OE2 3.46Å
187	K	82.3	Confident	90	Very high	193 Å²	193	52.5 Å²	52.5	84%	0.839	29%	0.287	S	S	*	.	S	Bend	trans	-134.1	-70.1	-178.8	-66.1	176.5	-174.5	167.1	0	112.2
188	S	87.1	Confident	89.6	Confident	78 Å²	78	49.9 Å²	49.9	55%	0.545	28%	0.281	S	S	.	.	S	Bend	trans	-159.3	148	-177	57.9	0	0	0	0	107.8	C185 S190	C185-S188 VanDerWaalsContact SG-C 3.51Å; C185-S188 PolarHBondContact SG-N 3.48Å; S188-S190 PolarHBondContact O-N 2.86Å
189	Y	89.3	Confident	89.2	Confident	65 Å²	65	49 Å²	49	26%	0.255	28%	0.277	S	S	.	.			trans	-57.4	125	173.3	-49.4	-56.5	0	0	0	110.5	F184 C185 M218 I222 W277	F184-Y189 HydrophobicContact CE1-CE1 4.37Å; C185-Y189 HydrophobicContact CB-CD1 4.3Å; C185-Y189 HydrophobicContact CB-CE1 3.86Å; Y189-M218 HydrophobicContact CD1-CE 4.35Å; Y189-M218 HydrophobicContact CD2-CB 4.02Å; Y189-M218 HydrophobicContact CD2-CE 3.69Å; Y189-M218 HydrophobicContact CD2-CG 4.31Å; Y189-M218 HydrophobicContact CE2-CB 4.43Å; Y189-M218 HydrophobicContact CE2-CE 4.32Å; Y189-M218 HydrophobicContact CG-CE 3.71Å; Y189-I222 HydrophobicContact CD1-CD1 4.22Å; Y189-I222 HydrophobicContact CE1-CD1 3.8Å; Y189-I222 HydrophobicContact CE2-CB 4.49Å; Y189-I222 HydrophobicContact CE2-CD1 4.26Å; Y189-I222 VanDerWaalsContact OH-CG2 3.28Å; Y189-I222 WeakPolarHBondContact OH-CG2 3.5Å; Y189-W277 AromaticContact CD1-CD1 3.89Å; Y189-W277 AromaticContact CD1-CD2 3.72Å; Y189-W277 HydrophobicContact CD1-CD2 3.72Å; Y189-W277 AromaticContact CD1-CE2 3.77Å; Y189-W277 HydrophobicContact CD1-CE3 4.28Å; Y189-W277 AromaticContact CD1-CG 3.83Å; Y189-W277 HydrophobicContact CD1-CG 3.83Å; Y189-W277 HydrophobicContact CD1-CZ2 4.33Å; Y189-W277 AromaticContact CD1-NE1 3.87Å; Y189-W277 HydrophobicContact CE1-CB 4.2Å; Y189-W277 HydrophobicContact CE1-CD2 4.17Å; Y189-W277 AromaticContact CE1-CG 3.93Å; Y189-W277 HydrophobicContact CE1-CG 3.93Å
190	S	87.3	Confident	88.9	Confident	31 Å²	31	49 Å²	49	22%	0.217	29%	0.285	C	S	.	.			trans	-130.3	141.5	-176.8	151	0	0	0	0	108.7	S188 F192 D193	S188-S190 PolarHBondContact O-N 2.86Å; S190-F192 PolarHBondContact O-N 3.47Å; S190-F192 WeakPolarHBondContact OG-CD2 3.24Å; S190-F192 PolarHBondContact OG-N 3.49Å; S190-F192 VanDerWaalsContact OG-N 3.13Å; S190-D193 WeakPolarHBondContact CA-OD2 3.25Å; S190-D193 WeakPolarHBondContact CB-OD1 3.01Å; S190-D193 WeakPolarHBondContact CB-OD2 3.44Å; S190-D193 PolarHBondContact N-OD2 3.31Å; S190-D193 WeakPolarHBondContact O-CB 3.15Å; S190-D193 PolarHBondContact O-N 3.29Å; S190-D193 VanDerWaalsContact O-OD2 3.08Å; S190-D193 PolarHBondContact OG-OD1 3.07Å
191	R	80.9	Confident	88.7	Confident	38 Å²	38	43.6 Å²	43.6	14%	0.143	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-55.8	-24.3	174.2	66.8	-173.8	-178.4	-179.7	0.6	113.3	D193 V194 A209 T212 R384 E424	R191-D193 VanDerWaalsContact C-N 3.27Å; R191-V194 PolarHBondContact O-N 2.72Å; R191-A209 HydrophobicContact CB-CB 4.01Å; R191-A209 VanDerWaalsContact CB-O 3.26Å; R191-A209 WeakPolarHBondContact CB-O 3.32Å; R191-T212 PolarHBondContact N-OG1 3.41Å; R191-T212 VanDerWaalsContact N-OG1 3.12Å; R191-R384 VanDerWaalsContact O-CZ 3.25Å; R191-R384 PolarHBondContact O-NH1 2.91Å; R191-R384 PolarHBondContact O-NH2 3.39Å; R191-E424 IonicContact CZ-OE1 2.86Å; R191-E424 IonicContact CZ-OE2 3.56Å; R191-E424 IonicContact NH1-OE1 2.88Å; R191-E424 PolarHBondContact NH1-OE1 3.27Å; R191-E424 IonicContact NH1-OE2 3.06Å; R191-E424 PolarHBondContact NH1-OE2 2.99Å; R191-E424 VanDerWaalsContact NH2-CD 3.32Å; R191-E424 IonicContact NH2-OE1 3.65Å; R191-E424 IonicContact NH2-OE2 2.68Å; R191-E424 PolarHBondContact NH2-OE2 3.28Å
192	F	81.9	Confident	88.6	Confident	58 Å²	58	37.8 Å²	37.8	25%	0.254	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-81	-4.3	179.2	-53.4	-65.9	0	0	0	113.7	S190 T271 D422	S190-F192 PolarHBondContact O-N 3.47Å; S190-F192 WeakPolarHBondContact OG-CD2 3.24Å; S190-F192 PolarHBondContact OG-N 3.49Å; S190-F192 VanDerWaalsContact OG-N 3.13Å; F192-T271 PolarHBondContact O-OG1 2.85Å; F192-D422 HydrophobicContact CD1-CB 4.22Å; F192-D422 HydrophobicContact CE1-CB 3.52Å; F192-D422 VanDerWaalsContact CE1-O 3.31Å; F192-D422 WeakPolarHBondContact CE1-O 3.35Å; F192-D422 WeakPolarHBondContact CE1-OD2 3.23Å; F192-D422 HydrophobicContact CZ-CB 4.07Å; F192-D422 WeakPolarHBondContact CZ-OD2 3.41Å
193	D	86.8	Confident	88.5	Confident	16 Å²	16	37.8 Å²	37.8	9%	0.086	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-87.9	4	173.5	-38.1	-28.1	0	0	0	111.2	S190 R191 H269 S270 E275 W277 S278	S190-D193 WeakPolarHBondContact CA-OD2 3.25Å; S190-D193 WeakPolarHBondContact CB-OD1 3.01Å; S190-D193 WeakPolarHBondContact CB-OD2 3.44Å; S190-D193 PolarHBondContact N-OD2 3.31Å; S190-D193 WeakPolarHBondContact O-CB 3.15Å; S190-D193 PolarHBondContact O-N 3.29Å; S190-D193 VanDerWaalsContact O-OD2 3.08Å; S190-D193 PolarHBondContact OG-OD1 3.07Å; R191-D193 VanDerWaalsContact C-N 3.27Å; D193-H269 CarbonylContact O-C 3.5Å; D193-S270 WeakPolarHBondContact CA-OG 3.42Å; D193-S270 WeakPolarHBondContact CB-OG 3.47Å; D193-S270 VanDerWaalsContact O-CA 3.29Å; D193-S270 WeakPolarHBondContact O-CA 3.33Å; D193-S270 PolarHBondContact O-N 3.28Å; D193-E275 WeakPolarHBondContact CB-OE1 3.29Å; D193-W277 HydrophobicContact CB-CZ2 3.71Å; D193-W277 PolarHBondContact OD2-NE1 3.07Å; D193-S278 WeakPolarHBondContact O-CB 3.43Å; D193-S278 PolarHBondContact O-OG 3.49Å
194	V	89.1	Confident	88.5	Confident	1 Å²	1	37 Å²	37	1%	0.006	21%	0.213	C	C	.	.			trans	-118.7	93	-179.8	-172.6	0	0	0	0	108.1	R191 A205 M208 A209 I268 W277 R384	R191-V194 PolarHBondContact O-N 2.72Å; V194-A205 HydrophobicContact CG1-CB 4.13Å; V194-M208 HydrophobicContact CB-SD 4.48Å; V194-M208 HydrophobicContact CG1-CB 4.43Å; V194-M208 HydrophobicContact CG1-SD 3.96Å; V194-M208 HydrophobicContact CG2-CG 3.98Å; V194-M208 HydrophobicContact CG2-SD 3.66Å; V194-A209 HydrophobicContact CB-CB 4.07Å; V194-A209 HydrophobicContact CG1-CB 4.32Å; V194-A209 HydrophobicContact CG2-CB 4.29Å; V194-I268 HydrophobicContact CG1-CG2 4.12Å; V194-W277 HydrophobicContact CG2-CH2 3.74Å; V194-W277 HydrophobicContact CG2-CZ2 4.17Å; V194-R384 PolarHBondContact O-NH2 3.13Å
195	D	87.7	Confident	88.5	Confident	30 Å²	30	36.4 Å²	36.4	16%	0.16	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-108.4	133.5	164.9	-164.5	-1.8	0	0	0	109.4	I268 H269 W387	D195-I268 VanDerWaalsContact O-CA 3.25Å; D195-I268 WeakPolarHBondContact O-CA 3.16Å; D195-H269 WeakPolarHBondContact CB-O 3.16Å; D195-H269 PolarHBondContact N-O 3.08Å; D195-H269 PolarHBondContact O-N 3.25Å; D195-H269 VanDerWaalsContact O-N 3.1Å; D195-W387 VanDerWaalsContact OD1-C 3.28Å; D195-W387 WeakPolarHBondContact OD1-CA 3.5Å
196	Q	88.2	Confident	88.5	Confident	22 Å²	22	34.7 Å²	34.7	10%	0.103	20%	0.199	C	C	.	.			trans	-75.2	132.3	-178.4	-173.3	178.2	-13.1	0	0	110.6	L199 P386 W387	Q196-L199 PolarHBondContact NE2-O 3.28Å; Q196-P386 PolarHBondContact N-O 3.15Å; Q196-W387 VanDerWaalsContact CD-NE1 3.25Å
197	G	89.9	Confident	88.9	Confident	25 Å²	25	31.8 Å²	31.8	26%	0.258	18%	0.181	S	C	.	.			trans	-88.1	-144	174.7	0	0	0	0	0	113.6	L199 F267	G197-L199 PolarHBondContact O-N 3.13Å; G197-F267 VanDerWaalsContact CA-O 3.29Å; G197-F267 WeakPolarHBondContact CA-O 3.24Å; G197-F267 PolarHBondContact N-O 3.34Å
198	A	88.2	Confident	89.5	Confident	53 Å²	53	22.7 Å²	22.7	44%	0.438	14%	0.141	S	C	.	.	S	Bend	trans	-74.7	-5.5	-176.2	0	0	0	0	0	114.8	V266	A198-V266 HydrophobicContact CB-CG1 4.16Å; A198-V266 WeakPolarHBondContact CB-O 3.4Å; A198-V266 PolarHBondContact N-O 3.44Å
199	L	89.9	Confident	89.7	Confident	3 Å²	3	19 Å²	19	2%	0.016	12%	0.116	C	C	.	.	S	Bend	trans	-89	148.4	-175.1	-165.2	57.6	0	0	0	111.5	L163 Q196 G197 D201 F267 Y292 L295 T296	L163-L199 HydrophobicContact CD1-CD1 3.81Å; L163-L199 HydrophobicContact CD2-CD1 4.07Å; Q196-L199 PolarHBondContact NE2-O 3.28Å; G197-L199 PolarHBondContact O-N 3.13Å; L199-D201 HydrophobicContact CB-CB 4.49Å; L199-D201 HydrophobicContact CD2-CB 4.09Å; L199-D201 HydrophobicContact CG-CB 4.03Å; L199-D201 PolarHBondContact O-N 2.8Å; L199-D201 VanDerWaalsContact O-N 3.12Å; L199-F267 HydrophobicContact CB-CD1 3.72Å; L199-F267 HydrophobicContact CB-CE1 4.11Å; L199-F267 HydrophobicContact CD1-CE1 4.35Å; L199-F267 HydrophobicContact CD2-CD1 4.31Å; L199-F267 HydrophobicContact CD2-CE1 4.5Å; L199-Y292 HydrophobicContact CD2-CD1 4.08Å; L199-L295 HydrophobicContact CD2-CB 3.88Å; L199-L295 HydrophobicContact CD2-CD1 4.24Å; L199-L295 HydrophobicContact CD2-CG 4.5Å; L199-T296 VanDerWaalsContact CD1-OG1 3.29Å; L199-T296 WeakPolarHBondContact CD1-OG1 3.4Å
200	G	88.6	Confident	89.7	Confident	34 Å²	34	16.3 Å²	16.3	35%	0.351	11%	0.106	S	C	.	.	S	Bend	trans	-83.6	44	177.5	0	0	0	0	0	113.8	G297	G200-G297 PolarHBondContact O-N 3.11Å
201	D	91.6	Very high	89.9	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.096	C	C	.	.			trans	-107.2	27	-170.1	71.7	-37.4	0	0	0	113.2	L199 W203 F204 A205 I268 L295	L199-D201 HydrophobicContact CB-CB 4.49Å; L199-D201 HydrophobicContact CD2-CB 4.09Å; L199-D201 HydrophobicContact CG-CB 4.03Å; L199-D201 PolarHBondContact O-N 2.8Å; L199-D201 VanDerWaalsContact O-N 3.12Å; D201-W203 PolarHBondContact O-N 3.32Å; D201-F204 HydrophobicContact CB-CB 4.47Å; D201-F204 WeakPolarHBondContact O-CA 3.18Å; D201-F204 WeakPolarHBondContact O-CB 3.4Å; D201-F204 PolarHBondContact O-N 3.24Å; D201-A205 PolarHBondContact O-N 2.97Å; D201-I268 WeakPolarHBondContact OD2-CD1 2.97Å; D201-L295 HydrophobicContact CB-CB 4.01Å; D201-L295 WeakPolarHBondContact CB-O 3.36Å
202	C	91.9	Very high	90.3	Very high	17 Å²	17	13.7 Å²	13.7	12%	0.115	9%	0.093	C	C	.	.	H	α-helix	trans	-53.3	-32	-178	58.6	0	0	0	0	113.8	F204 S206 H361 A362 P386	C202-F204 VanDerWaalsContact C-N 3.28Å; C202-F204 PolarHBondContact O-N 3.12Å; C202-S206 WeakPolarHBondContact O-CB 3.43Å; C202-S206 PolarHBondContact O-N 3.19Å; C202-S206 PolarHBondContact O-OG 3.42Å; C202-H361 WeakPolarHBondContact CB-CE1 3.45Å; C202-H361 VanDerWaalsContact CB-ND1 3.32Å; C202-H361 WeakPolarHBondContact CB-ND1 3.2Å; C202-H361 PolarHBondContact SG-ND1 2.98Å; C202-A362 HydrophobicContact CB-CB 4.3Å; C202-P386 HydrophobicContact CB-CG 4.31Å
203	W	93.1	Very high	90.4	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.015	10%	0.097	C	C	.	.	H	α-helix	trans	-61.4	-35.9	175.5	64.4	-84.7	0	0	0	112.5	D201 V207 Y285 L295 G298 Q300 E302 A303	D201-W203 PolarHBondContact O-N 3.32Å; W203-V207 VanDerWaalsContact O-CG2 3.25Å; W203-V207 WeakPolarHBondContact O-CG2 3.42Å; W203-Y285 AromaticContact CH2-CE1 3.76Å; W203-Y285 HydrophobicContact CH2-CE1 3.76Å; W203-Y285 HydrophobicContact CZ2-CE1 4.47Å; W203-Y285 HydrophobicContact CZ3-CE1 4.35Å; W203-L295 PolarHBondContact NE1-O 3.45Å; W203-G298 WeakPolarHBondContact CB-O 3.46Å; W203-Q300 HydrophobicContact CB-CG 4.25Å; W203-E302 HydrophobicContact CZ3-CB 4.03Å; W203-A303 HydrophobicContact CE3-CB 3.66Å; W203-A303 HydrophobicContact CZ3-CB 3.65Å
204	F	94.2	Very high	90.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-82.4	-48.7	176.2	169.9	-103.1	0	0	0	111.1	D201 C202 S206 V207 M208 I268 E282 Y285 A303 F307	D201-F204 HydrophobicContact CB-CB 4.47Å; D201-F204 WeakPolarHBondContact O-CA 3.18Å; D201-F204 WeakPolarHBondContact O-CB 3.4Å; D201-F204 PolarHBondContact O-N 3.24Å; C202-F204 VanDerWaalsContact C-N 3.28Å; C202-F204 PolarHBondContact O-N 3.12Å; F204-S206 VanDerWaalsContact C-N 3.33Å; F204-S206 PolarHBondContact O-N 3.15Å; F204-V207 PolarHBondContact O-N 3.34Å; F204-V207 VanDerWaalsContact O-N 3.12Å; F204-M208 HydrophobicContact CD1-CE 4.11Å; F204-M208 HydrophobicContact CE1-CE 3.15Å; F204-M208 HydrophobicContact CE2-CE 4.4Å; F204-M208 HydrophobicContact CZ-CE 3.33Å; F204-M208 PolarHBondContact O-N 3.03Å; F204-I268 HydrophobicContact CD1-CD1 3.88Å; F204-I268 HydrophobicContact CE1-CD1 3.89Å; F204-E282 HydrophobicContact CE1-CB 4.02Å; F204-E282 HydrophobicContact CE1-CG 3.99Å; F204-Y285 AromaticContact CD2-CD1 3.43Å; F204-Y285 HydrophobicContact CD2-CD1 3.43Å; F204-Y285 VanDerWaalsContact CD2-CD1 3.43Å; F204-Y285 AromaticContact CD2-CE1 3.53Å; F204-Y285 HydrophobicContact CD2-CE1 3.53Å; F204-Y285 AromaticContact CD2-CG 3.98Å; F204-Y285 HydrophobicContact CD2-CG 3.98Å; F204-Y285 HydrophobicContact CE1-CD1 4.47Å; F204-Y285 AromaticContact CE2-CD1 3.25Å; F204-Y285 HydrophobicContact CE2-CD1 3.25Å; F204-Y285 AromaticContact CE2-CD2 3.89Å; F204-Y285 HydrophobicContact CE2-CD2 3.89Å; F204-Y285 AromaticContact CE2-CE1 3.78Å; F204-Y285 HydrophobicContact CE2-CE1 3.78Å; F204-Y285 HydrophobicContact CE2-CE2 4.35Å; F204-Y285 AromaticContact CE2-CG 3.32Å; F204-Y285 HydrophobicContact CE2-CG 3.32Å; F204-Y285 HydrophobicContact CG-CD1 4.13Å; F204-Y285 HydrophobicContact CG-CE1 4.3Å; F204-Y285 AromaticContact CZ-CD1 3.84Å; F204-Y285 HydrophobicContact CZ-CD1 3.84Å; F204-Y285 AromaticContact CZ-CG 3.8Å; F204-Y285 HydrophobicContact CZ-CG 3.8Å; F204-A303 HydrophobicContact CB-CB 4.49Å; F204-A303 HydrophobicContact CD2-CB 4.28Å; F204-F307 AromaticContact CD2-CE2 3.55Å; F204-F307 HydrophobicContact CD2-CE2 3.55Å; F204-F307 AromaticContact CD2-CZ 3.92Å; F204-F307 HydrophobicContact CD2-CZ 3.92Å; F204-F307 HydrophobicContact CE2-CD2 4.5Å; F204-F307 HydrophobicContact CE2-CE1 4.29Å; F204-F307 AromaticContact CE2-CE2 3.3Å; F204-F307 HydrophobicContact CE2-CE2 3.3Å; F204-F307 AromaticContact CE2-CZ 3.17Å; F204-F307 HydrophobicContact CE2-CZ 3.17Å; F204-F307 HydrophobicContact CZ-CE2 4.13Å; F204-F307 AromaticContact CZ-CZ 3.63Å; F204-F307 HydrophobicContact CZ-CZ 3.63Å
205	A	93.7	Very high	90.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.4	-41.8	180	0	0	0	0	0	112.6	V194 D201 V207 M208 A209 I268 P386	V194-A205 HydrophobicContact CG1-CB 4.13Å; D201-A205 PolarHBondContact O-N 2.97Å; A205-V207 VanDerWaalsContact C-N 3.31Å; A205-V207 PolarHBondContact O-N 3.26Å; A205-M208 PolarHBondContact O-N 3.11Å; A205-A209 WeakPolarHBondContact O-CB 3.31Å; A205-A209 PolarHBondContact O-N 3.02Å; A205-I268 HydrophobicContact CB-CD1 3.85Å; A205-I268 HydrophobicContact CB-CG1 4.47Å; A205-P386 HydrophobicContact CB-CB 3.98Å
206	S	92.2	Very high	90	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-40.9	176.7	-63.5	0	0	0	0	112.2	C202 F204 T210 A362 S364 P386	C202-S206 WeakPolarHBondContact O-CB 3.43Å; C202-S206 PolarHBondContact O-N 3.19Å; C202-S206 PolarHBondContact O-OG 3.42Å; F204-S206 VanDerWaalsContact C-N 3.33Å; F204-S206 PolarHBondContact O-N 3.15Å; S206-T210 WeakPolarHBondContact O-CB 3.47Å; S206-T210 PolarHBondContact O-N 3.02Å; S206-T210 VanDerWaalsContact O-N 3.13Å; S206-T210 PolarHBondContact O-OG1 3.24Å; S206-A362 PolarHBondContact OG-O 3.27Å; S206-S364 PolarHBondContact O-OG 2.96Å; S206-P386 WeakPolarHBondContact OG-CD 3.19Å; S206-P386 VanDerWaalsContact OG-CG 3.31Å; S206-P386 WeakPolarHBondContact OG-CG 3.28Å
207	V	94.1	Very high	90	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-74.5	-45.2	180	178.2	0	0	0	0	110.6	W203 F204 A205 A209 T210 V211 Q300 A303 M304 F307	W203-V207 VanDerWaalsContact O-CG2 3.25Å; W203-V207 WeakPolarHBondContact O-CG2 3.42Å; F204-V207 PolarHBondContact O-N 3.34Å; F204-V207 VanDerWaalsContact O-N 3.12Å; A205-V207 VanDerWaalsContact C-N 3.31Å; A205-V207 PolarHBondContact O-N 3.26Å; V207-A209 PolarHBondContact O-N 3.17Å; V207-T210 WeakPolarHBondContact O-CA 3.39Å; V207-T210 WeakPolarHBondContact O-CB 3.44Å; V207-T210 PolarHBondContact O-N 3.2Å; V207-V211 HydrophobicContact CG1-CG1 4.23Å; V207-V211 PolarHBondContact O-N 3.26Å; V207-Q300 HydrophobicContact CG2-CB 3.8Å; V207-Q300 HydrophobicContact CG2-CG 4.47Å; V207-A303 HydrophobicContact CB-CB 3.89Å; V207-A303 HydrophobicContact CG1-CB 4.14Å; V207-A303 HydrophobicContact CG2-CB 3.93Å; V207-M304 HydrophobicContact CB-CG 4.34Å; V207-M304 HydrophobicContact CG1-CB 4.3Å; V207-M304 HydrophobicContact CG1-CG 3.72Å; V207-M304 HydrophobicContact CG2-CE 4.03Å; V207-M304 HydrophobicContact CG2-CG 3.59Å; V207-F307 HydrophobicContact CB-CD2 4.28Å; V207-F307 HydrophobicContact CG1-CB 4.44Å; V207-F307 HydrophobicContact CG1-CD2 3.61Å; V207-F307 HydrophobicContact CG1-CE2 4.34Å; V207-F307 HydrophobicContact CG1-CG 4.42Å
208	M	94.4	Very high	90	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-50.9	-48.5	174.7	-177	-168	-64.6	0	0	110.7	V194 F204 A205 T210 V211 T212 I268 W277 L281 E282 F307	V194-M208 HydrophobicContact CB-SD 4.48Å; V194-M208 HydrophobicContact CG1-CB 4.43Å; V194-M208 HydrophobicContact CG1-SD 3.96Å; V194-M208 HydrophobicContact CG2-CG 3.98Å; V194-M208 HydrophobicContact CG2-SD 3.66Å; F204-M208 HydrophobicContact CD1-CE 4.11Å; F204-M208 HydrophobicContact CE1-CE 3.15Å; F204-M208 HydrophobicContact CE2-CE 4.4Å; F204-M208 HydrophobicContact CZ-CE 3.33Å; F204-M208 PolarHBondContact O-N 3.03Å; A205-M208 PolarHBondContact O-N 3.11Å; M208-T210 VanDerWaalsContact C-N 3.32Å; M208-T210 PolarHBondContact O-N 3Å; M208-V211 WeakPolarHBondContact O-CG2 3.33Å; M208-V211 PolarHBondContact O-N 3.02Å; M208-T212 WeakPolarHBondContact O-CG2 3.37Å; M208-I268 HydrophobicContact CE-CD1 4Å; M208-W277 HydrophobicContact CG-CH2 4.3Å; M208-W277 HydrophobicContact CG-CZ3 4.1Å; M208-W277 HydrophobicContact SD-CH2 4.26Å; M208-W277 HydrophobicContact SD-CZ3 3.93Å; M208-L281 HydrophobicContact CE-CB 4.2Å; M208-L281 HydrophobicContact CE-CD2 3.81Å; M208-L281 HydrophobicContact CE-CG 3.92Å; M208-L281 HydrophobicContact CG-CD2 3.82Å; M208-L281 HydrophobicContact SD-CD2 3.93Å; M208-E282 HydrophobicContact CE-CB 4.4Å; M208-F307 HydrophobicContact CB-CE2 4.07Å; M208-F307 HydrophobicContact CB-CZ 3.92Å; M208-F307 HydrophobicContact CE-CZ 4.39Å; M208-F307 HydrophobicContact CG-CZ 4.2Å
209	A	91.1	Very high	90.1	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-63.4	-38	177.4	0	0	0	0	0	112.5	R191 V194 A205 V207 T212	R191-A209 HydrophobicContact CB-CB 4.01Å; R191-A209 VanDerWaalsContact CB-O 3.26Å; R191-A209 WeakPolarHBondContact CB-O 3.32Å; V194-A209 HydrophobicContact CB-CB 4.07Å; V194-A209 HydrophobicContact CG1-CB 4.32Å; V194-A209 HydrophobicContact CG2-CB 4.29Å; A205-A209 WeakPolarHBondContact O-CB 3.31Å; A205-A209 PolarHBondContact O-N 3.02Å; V207-A209 PolarHBondContact O-N 3.17Å; A209-T212 PolarHBondContact O-OG1 3Å
210	T	90.1	Very high	90.1	Very high	8 Å²	8	17.7 Å²	17.7	5%	0.049	11%	0.111	C	C	.	.	H	α-helix	trans	-67.4	-40.7	-179.6	-58.6	0	0	0	0	112.2	S206 V207 M208 T212 K213 V339 S364	S206-T210 WeakPolarHBondContact O-CB 3.47Å; S206-T210 PolarHBondContact O-N 3.02Å; S206-T210 VanDerWaalsContact O-N 3.13Å; S206-T210 PolarHBondContact O-OG1 3.24Å; V207-T210 WeakPolarHBondContact O-CA 3.39Å; V207-T210 WeakPolarHBondContact O-CB 3.44Å; V207-T210 PolarHBondContact O-N 3.2Å; M208-T210 VanDerWaalsContact C-N 3.32Å; M208-T210 PolarHBondContact O-N 3Å; T210-T212 VanDerWaalsContact C-N 3.26Å; T210-T212 PolarHBondContact O-N 3.18Å; T210-K213 WeakPolarHBondContact O-CB 3.06Å; T210-K213 WeakPolarHBondContact O-CG 3.26Å; T210-K213 PolarHBondContact O-N 2.71Å; T210-V339 HydrophobicContact CG2-CB 3.94Å; T210-V339 HydrophobicContact CG2-CG1 3.62Å; T210-S364 WeakPolarHBondContact OG1-CB 3.32Å; T210-S364 PolarHBondContact OG1-OG 3.29Å
211	V	90.6	Very high	90.4	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-70.5	-20.3	-176.6	-63.1	0	0	0	0	113.4	V207 M208 K213 Y214 L217 M218 I221 F307 T308	V207-V211 HydrophobicContact CG1-CG1 4.23Å; V207-V211 PolarHBondContact O-N 3.26Å; M208-V211 WeakPolarHBondContact O-CG2 3.33Å; M208-V211 PolarHBondContact O-N 3.02Å; V211-K213 PolarHBondContact O-N 3.28Å; V211-Y214 PolarHBondContact O-N 3.46Å; V211-L217 HydrophobicContact CB-CD2 4.02Å; V211-L217 HydrophobicContact CG1-CD2 3.89Å; V211-M218 HydrophobicContact CB-SD 4.44Å; V211-M218 HydrophobicContact CG2-SD 3.96Å; V211-I221 HydrophobicContact CB-CD1 4.33Å; V211-I221 HydrophobicContact CG2-CD1 3.95Å; V211-F307 HydrophobicContact CG1-CB 4.03Å; V211-F307 HydrophobicContact CG2-CD1 4.37Å; V211-F307 HydrophobicContact CG2-CG 4.35Å; V211-T308 HydrophobicContact CG1-CG2 4.01Å
212	T	89.8	Confident	90.5	Very high	14 Å²	14	16.2 Å²	16.2	9%	0.086	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.3	172.8	67.4	0	0	0	0	113.7	R191 M208 A209 T210 Y214 M218 W277	R191-T212 PolarHBondContact N-OG1 3.41Å; R191-T212 VanDerWaalsContact N-OG1 3.12Å; M208-T212 WeakPolarHBondContact O-CG2 3.37Å; A209-T212 PolarHBondContact O-OG1 3Å; T210-T212 VanDerWaalsContact C-N 3.26Å; T210-T212 PolarHBondContact O-N 3.18Å; T212-Y214 PolarHBondContact O-N 2.83Å; T212-M218 HydrophobicContact CG2-CE 4.48Å; T212-M218 HydrophobicContact CG2-SD 4.41Å; T212-W277 HydrophobicContact CG2-CH2 3.77Å; T212-W277 HydrophobicContact CG2-CZ2 4.22Å
213	K	83.6	Confident	90.5	Very high	75 Å²	75	15.9 Å²	15.9	33%	0.326	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.6	175.7	-66.4	-176.5	174.8	-175.7	0	114.1	T210 V211 P215 T366	T210-K213 WeakPolarHBondContact O-CB 3.06Å; T210-K213 WeakPolarHBondContact O-CG 3.26Å; T210-K213 PolarHBondContact O-N 2.71Å; V211-K213 PolarHBondContact O-N 3.28Å; K213-P215 WeakPolarHBondContact O-CD 3.27Å; K213-T366 VanDerWaalsContact NZ-CG2 3.31Å
214	Y	85.6	Confident	90.3	Very high	24 Å²	24	19.5 Å²	19.5	9%	0.094	12%	0.117	C	C	.	.			trans	-120.2	89.6	-172.6	-55.4	-61.8	0	0	0	110.3	V211 T212 S216 L217 M218 C338 V339 F444 I455	V211-Y214 PolarHBondContact O-N 3.46Å; T212-Y214 PolarHBondContact O-N 2.83Å; Y214-S216 VanDerWaalsContact C-N 3.33Å; Y214-S216 PolarHBondContact O-N 3.29Å; Y214-L217 WeakPolarHBondContact O-CB 3.35Å; Y214-L217 PolarHBondContact O-N 2.91Å; Y214-M218 PolarHBondContact O-N 3.46Å; Y214-C338 PolarHBondContact OH-O 3.08Å; Y214-V339 HydrophobicContact CD2-CG1 4.26Å; Y214-V339 HydrophobicContact CE2-CG1 3.37Å; Y214-F444 HydrophobicContact CD2-CE2 4.27Å; Y214-F444 HydrophobicContact CD2-CZ 4.43Å; Y214-F444 HydrophobicContact CE2-CE2 4.26Å; Y214-F444 HydrophobicContact CE2-CZ 4.32Å; Y214-I455 HydrophobicContact CD1-CD1 3.61Å; Y214-I455 HydrophobicContact CD1-CG1 4.45Å; Y214-I455 HydrophobicContact CD1-CG2 3.46Å; Y214-I455 VanDerWaalsContact CD1-CG2 3.46Å; Y214-I455 HydrophobicContact CE1-CD1 4.32Å; Y214-I455 HydrophobicContact CE1-CG2 3.62Å; Y214-I455 HydrophobicContact CG-CD1 4Å
215	P	85.9	Confident	89.9	Confident	101 Å²	101	26.9 Å²	26.9	66%	0.656	16%	0.156	S	C	*	.	H	α-helix	trans	-55.8	-40.7	-175.9	-28.7	35.7	0	0	0	114.5	K213 L217 M218 S219	K213-P215 WeakPolarHBondContact O-CD 3.27Å; P215-L217 VanDerWaalsContact C-N 3.31Å; P215-L217 PolarHBondContact O-N 2.94Å; P215-M218 PolarHBondContact O-N 3.05Å; P215-S219 PolarHBondContact O-N 3.36Å
216	S	83.5	Confident	89.8	Confident	35 Å²	35	27.7 Å²	27.7	25%	0.245	16%	0.16	C	C	.	.	H	α-helix	trans	-60.5	-42.7	176.4	-57.4	0	0	0	0	111.3	Y214 S219 N220	Y214-S216 VanDerWaalsContact C-N 3.33Å; Y214-S216 PolarHBondContact O-N 3.29Å; S216-S219 PolarHBondContact O-N 3.4Å; S216-S219 PolarHBondContact O-OG 2.92Å; S216-N220 PolarHBondContact O-N 3.29Å
217	L	87.4	Confident	89.7	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.5	-41.7	177	-174.4	65.9	0	0	0	111.8	V211 Y214 P215 S219 N220 I221 W247 F307 T308 F444	V211-L217 HydrophobicContact CB-CD2 4.02Å; V211-L217 HydrophobicContact CG1-CD2 3.89Å; Y214-L217 WeakPolarHBondContact O-CB 3.35Å; Y214-L217 PolarHBondContact O-N 2.91Å; P215-L217 VanDerWaalsContact C-N 3.31Å; P215-L217 PolarHBondContact O-N 2.94Å; L217-S219 PolarHBondContact O-N 3.42Å; L217-N220 WeakPolarHBondContact O-CA 3.39Å; L217-N220 WeakPolarHBondContact O-CB 3.31Å; L217-N220 PolarHBondContact O-N 3.38Å; L217-I221 HydrophobicContact CD2-CD1 4.44Å; L217-I221 HydrophobicContact CG-CD1 3.99Å; L217-I221 WeakPolarHBondContact O-CG1 3.41Å; L217-I221 PolarHBondContact O-N 3.4Å; L217-W247 HydrophobicContact CD1-CH2 3.99Å; L217-W247 HydrophobicContact CD1-CZ2 4.26Å; L217-F307 WeakPolarHBondContact CD1-O 3.42Å; L217-T308 HydrophobicContact CD2-CG2 3.58Å; L217-F444 HydrophobicContact CD2-CZ 4.29Å
218	M	90.6	Very high	89.7	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.02	18%	0.175	C	C	.	.	H	α-helix	trans	-58.4	-32.1	173.9	-70.5	-57.1	-62.2	0	0	112.3	Y189 V211 T212 Y214 P215 N220 I221 I222 W277	Y189-M218 HydrophobicContact CD1-CE 4.35Å; Y189-M218 HydrophobicContact CD2-CB 4.02Å; Y189-M218 HydrophobicContact CD2-CE 3.69Å; Y189-M218 HydrophobicContact CD2-CG 4.31Å; Y189-M218 HydrophobicContact CE2-CB 4.43Å; Y189-M218 HydrophobicContact CE2-CE 4.32Å; Y189-M218 HydrophobicContact CG-CE 3.71Å; V211-M218 HydrophobicContact CB-SD 4.44Å; V211-M218 HydrophobicContact CG2-SD 3.96Å; T212-M218 HydrophobicContact CG2-CE 4.48Å; T212-M218 HydrophobicContact CG2-SD 4.41Å; Y214-M218 PolarHBondContact O-N 3.46Å; P215-M218 PolarHBondContact O-N 3.05Å; M218-N220 VanDerWaalsContact C-N 3.33Å; M218-I221 PolarHBondContact O-N 3.01Å; M218-I221 HydrophobicContact SD-CD1 4.12Å; M218-I222 HydrophobicContact CE-CD1 3.58Å; M218-I222 HydrophobicContact CE-CG1 4.16Å; M218-I222 WeakPolarHBondContact O-CA 3.45Å; M218-I222 PolarHBondContact O-N 2.95Å; M218-W277 HydrophobicContact CE-CZ3 4.28Å
219	S	89.9	Confident	89.4	Confident	50 Å²	50	37.2 Å²	37.2	35%	0.35	21%	0.206	S	C	.	.	H	α-helix	trans	-72.7	-25.3	176	79.6	0	0	0	0	114	R127 P215 S216 L217	R127-S219 PolarHBondContact NH2-O 3.32Å; P215-S219 PolarHBondContact O-N 3.36Å; S216-S219 PolarHBondContact O-N 3.4Å; S216-S219 PolarHBondContact O-OG 2.92Å; L217-S219 PolarHBondContact O-N 3.42Å
220	N	89.5	Confident	89.3	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-71.9	-48.9	170.5	-71.3	-20.8	0	0	0	109.9	P123 S216 L217 M218 N240 W247 S448	P123-N220 HydrophobicContact CG-CB 4.18Å; S216-N220 PolarHBondContact O-N 3.29Å; L217-N220 WeakPolarHBondContact O-CA 3.39Å; L217-N220 WeakPolarHBondContact O-CB 3.31Å; L217-N220 PolarHBondContact O-N 3.38Å; M218-N220 VanDerWaalsContact C-N 3.33Å; N220-N240 VanDerWaalsContact O-CB 3.3Å; N220-N240 WeakPolarHBondContact O-CB 3.4Å; N220-N240 PolarHBondContact O-ND2 2.86Å; N220-W247 HydrophobicContact CB-CH2 3.86Å; N220-W247 HydrophobicContact CB-CZ2 3.97Å; N220-W247 HydrophobicContact CB-CZ3 4.22Å; N220-S448 PolarHBondContact ND2-O 3.14Å
221	I	94.6	Very high	88.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.2	-46.8	-179	-59.4	159.9	0	0	0	111.7	V211 L217 M218 P223 F239 N240 W247 L281 F307	V211-I221 HydrophobicContact CB-CD1 4.33Å; V211-I221 HydrophobicContact CG2-CD1 3.95Å; L217-I221 HydrophobicContact CD2-CD1 4.44Å; L217-I221 HydrophobicContact CG-CD1 3.99Å; L217-I221 WeakPolarHBondContact O-CG1 3.41Å; L217-I221 PolarHBondContact O-N 3.4Å; M218-I221 PolarHBondContact O-N 3.01Å; M218-I221 HydrophobicContact SD-CD1 4.12Å; I221-P223 WeakPolarHBondContact O-CD 3.35Å; I221-F239 CarbonylContact O-C 3.5Å; I221-F239 WeakPolarHBondContact O-CA 3.28Å; I221-N240 WeakPolarHBondContact CA-O 2.99Å; I221-N240 PolarHBondContact O-N 3.02Å; I221-W247 HydrophobicContact CG1-CH2 4.3Å; I221-W247 HydrophobicContact CG1-CZ3 4.16Å; I221-L281 HydrophobicContact CG2-CD1 3.75Å; I221-L281 HydrophobicContact CG2-CD2 4.37Å; I221-F307 HydrophobicContact CD1-CB 4.24Å; I221-F307 HydrophobicContact CD1-CD1 3.71Å; I221-F307 HydrophobicContact CD1-CG 4.41Å; I221-F307 WeakPolarHBondContact CD1-O 3.36Å; I221-F307 HydrophobicContact CG1-CD1 4.13Å; I221-F307 HydrophobicContact CG2-CD1 4.09Å; I221-F307 HydrophobicContact CG2-CE1 4.14Å
222	I	94.6	Very high	88.7	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.015	30%	0.295	C	S	.	.	S	Bend	trans	-116.2	99.6	-175.7	-50.3	-174.4	0	0	0	108.8	F184 Y189 M218 F239 W277	F184-I222 HydrophobicContact CE1-CG2 3.65Å; F184-I222 HydrophobicContact CZ-CG2 3.68Å; Y189-I222 HydrophobicContact CD1-CD1 4.22Å; Y189-I222 HydrophobicContact CE1-CD1 3.8Å; Y189-I222 HydrophobicContact CE2-CB 4.49Å; Y189-I222 HydrophobicContact CE2-CD1 4.26Å; Y189-I222 VanDerWaalsContact OH-CG2 3.28Å; Y189-I222 WeakPolarHBondContact OH-CG2 3.5Å; M218-I222 HydrophobicContact CE-CD1 3.58Å; M218-I222 HydrophobicContact CE-CG1 4.16Å; M218-I222 WeakPolarHBondContact O-CA 3.45Å; M218-I222 PolarHBondContact O-N 2.95Å; I222-F239 HydrophobicContact CD1-CE1 4.31Å; I222-F239 HydrophobicContact CG1-CD1 4.04Å; I222-F239 HydrophobicContact CG1-CE1 4.18Å; I222-F239 HydrophobicContact CG2-CE1 4.35Å; I222-W277 HydrophobicContact CD1-CD2 4.49Å; I222-W277 HydrophobicContact CD1-CE3 3.79Å; I222-W277 HydrophobicContact CD1-CZ3 4.35Å
223	P	91.9	Very high	88.9	Confident	10 Å²	10	48.3 Å²	48.3	7%	0.065	30%	0.297	C	S	.	.			trans	-49.7	140.8	169.7	-22.3	27.5	0	0	0	112.6	R127 I221 Q226 V238	R127-P223 VanDerWaalsContact NH2-CA 3.27Å; R127-P223 VanDerWaalsContact NH2-CB 3.32Å; I221-P223 WeakPolarHBondContact O-CD 3.35Å; P223-Q226 PolarHBondContact O-NE2 3.35Å; P223-V238 HydrophobicContact CB-CG1 4Å; P223-V238 WeakPolarHBondContact CD-O 3.34Å; P223-V238 HydrophobicContact CG-CB 4.42Å; P223-V238 HydrophobicContact CG-CG1 3.74Å; P223-V238 HydrophobicContact CG-CG2 4.07Å
224	P	88.2	Confident	89.5	Confident	79 Å²	79	45 Å²	45	51%	0.513	28%	0.283	S	S	.	.	S	Bend	trans	-70.1	171.1	179.2	32	-35.5	0	0	0	111.7	Q226	P224-Q226 PolarHBondContact O-N 3.09Å
225	N	85.9	Confident	90	Very high	155 Å²	155	43.9 Å²	43.9	83%	0.829	28%	0.279	S	S	*	.			trans	69.5	22.1	172.7	-49.8	-38.8	0	0	0	116.2
226	Q	91.7	Very high	90.5	Very high	18 Å²	18	39.1 Å²	39.1	8%	0.084	25%	0.248	C	C	.	.			trans	-83.9	133.5	171.4	-59.7	-173.4	71.1	0	0	110.6	F184 P223 P224 F237 V238	F184-Q226 HydrophobicContact CD1-CB 4.14Å; F184-Q226 HydrophobicContact CE1-CB 4.11Å; F184-Q226 HydrophobicContact CG-CB 4.35Å; F184-Q226 HydrophobicContact CZ-CB 4.3Å; P223-Q226 PolarHBondContact O-NE2 3.35Å; P224-Q226 PolarHBondContact O-N 3.09Å; Q226-F237 HydrophobicContact CB-CD1 4.09Å; Q226-F237 HydrophobicContact CB-CE1 4.18Å; Q226-V238 HydrophobicContact CG-CG1 4.28Å; Q226-V238 PolarHBondContact NE2-O 2.94Å; Q226-V238 PolarHBondContact OE1-O 3.4Å
227	T	90.6	Very high	91.2	Very high	49 Å²	49	37.5 Å²	37.5	30%	0.301	24%	0.237	S	C	.	.			trans	-150.1	148.8	-172.2	-173.9	0	0	0	0	113.5	K229	T227-K229 PolarHBondContact OG1-N 3.19Å
228	F	93.2	Very high	91.6	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	24%	0.237	C	C	.	.	S	Bend	trans	-91.3	2.3	166.6	-65.6	-64.7	0	0	0	113.2	P175 K176 A183 F184 Y233 F237 D254 F276 L280	P175-F228 HydrophobicContact CB-CE1 3.96Å; P175-F228 HydrophobicContact CB-CE2 4.37Å; P175-F228 HydrophobicContact CB-CZ 3.88Å; P175-F228 HydrophobicContact CG-CE1 3.6Å; P175-F228 HydrophobicContact CG-CZ 3.63Å; K176-F228 WeakPolarHBondContact CE-O 3.48Å; K176-F228 PolarHBondContact NZ-O 3.4Å; A183-F228 WeakPolarHBondContact O-CE2 3.27Å; F184-F228 VanDerWaalsContact CA-CE2 3.45Å; F184-F228 HydrophobicContact CB-CD2 4.15Å; F184-F228 HydrophobicContact CB-CE2 3.97Å; F184-F228 VanDerWaalsContact N-CE2 3.31Å; F228-Y233 HydrophobicContact CD1-CD2 4.05Å; F228-Y233 AromaticContact CD1-CE2 3.7Å; F228-Y233 HydrophobicContact CD1-CE2 3.7Å; F228-Y233 HydrophobicContact CE1-CE2 4.37Å; F228-F237 HydrophobicContact CD1-CE1 4.49Å; F228-F237 AromaticContact CD1-CE2 3.99Å; F228-F237 HydrophobicContact CD1-CE2 3.99Å; F228-F237 AromaticContact CD1-CZ 3.46Å; F228-F237 HydrophobicContact CD1-CZ 3.46Å; F228-F237 VanDerWaalsContact CD1-CZ 3.46Å; F228-F237 HydrophobicContact CE1-CE1 4.06Å; F228-F237 AromaticContact CE1-CE2 3.4Å; F228-F237 HydrophobicContact CE1-CE2 3.4Å; F228-F237 AromaticContact CE1-CZ 3.1Å; F228-F237 HydrophobicContact CE1-CZ 3.1Å; F228-F237 HydrophobicContact CE2-CZ 4.35Å; F228-F237 HydrophobicContact CG-CZ 4.2Å; F228-F237 HydrophobicContact CZ-CE1 4.12Å; F228-F237 HydrophobicContact CZ-CE2 4.1Å; F228-F237 AromaticContact CZ-CZ 3.61Å; F228-F237 HydrophobicContact CZ-CZ 3.61Å; F228-D254 HydrophobicContact CE1-CB 4.16Å; F228-F276 HydrophobicContact CE2-CB 4.04Å; F228-F276 HydrophobicContact CE2-CD2 4.49Å; F228-F276 HydrophobicContact CZ-CB 4.06Å; F228-L280 HydrophobicContact CZ-CD1 3.85Å
229	K	89.8	Confident	92	Very high	150 Å²	150	37.4 Å²	37.4	65%	0.652	24%	0.236	S	C	*	.	S	Bend	trans	-111.4	148.2	-170.4	-62.8	179.9	-178.6	174.9	0	112.6	T227	T227-K229 PolarHBondContact OG1-N 3.19Å
230	G	88.1	Confident	92.2	Very high	68 Å²	68	35.4 Å²	35.4	70%	0.701	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	66.7	-163.7	170.9	0	0	0	0	0	114.3	G232 Y233	G230-G232 PolarHBondContact O-N 2.94Å; G230-Y233 PolarHBondContact O-N 2.61Å
231	S	82.7	Confident	92.5	Very high	118 Å²	118	35.2 Å²	35.2	83%	0.825	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-69.1	-11.2	179.8	55.3	0	0	0	0	114.2	Y233	S231-Y233 VanDerWaalsContact C-N 3.3Å
232	G	84.9	Confident	92.5	Very high	41 Å²	41	35.2 Å²	35.2	42%	0.423	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-79.6	-11.2	175	0	0	0	0	0	113.8	G230 T234	G230-G232 PolarHBondContact O-N 2.94Å; G232-T234 PolarHBondContact O-N 3.12Å
233	Y	94.7	Very high	92.2	Very high	31 Å²	31	35.9 Å²	35.9	12%	0.122	22%	0.223	C	C	.	.			trans	-79.6	111.5	177.6	172.8	-119.3	0	0	0	111	L147 F228 G230 S231 F237 D254	L147-Y233 HydrophobicContact CD1-CE1 3.88Å; L147-Y233 HydrophobicContact CD2-CD1 3.83Å; L147-Y233 HydrophobicContact CD2-CE1 3.41Å; L147-Y233 VanDerWaalsContact CD2-CE1 3.41Å; L147-Y233 HydrophobicContact CG-CE1 4.32Å; F228-Y233 HydrophobicContact CD1-CD2 4.05Å; F228-Y233 AromaticContact CD1-CE2 3.7Å; F228-Y233 HydrophobicContact CD1-CE2 3.7Å; F228-Y233 HydrophobicContact CE1-CE2 4.37Å; G230-Y233 PolarHBondContact O-N 2.61Å; S231-Y233 VanDerWaalsContact C-N 3.3Å; Y233-F237 HydrophobicContact CE2-CE2 4.37Å; Y233-D254 WeakPolarHBondContact CE2-OD2 3.19Å; Y233-D254 VanDerWaalsContact CZ-OD2 3.24Å; Y233-D254 PolarHBondContact OH-OD2 3.42Å
234	T	95.3	Very high	91.9	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.031	22%	0.223	C	C	.	.			trans	-112.1	1	-179.3	57.7	0	0	0	0	113.2	S138 M141 V142 L147 Y148 G232 A236	S138-T234 PolarHBondContact OG-OG1 2.84Å; M141-T234 HydrophobicContact CB-CG2 4.19Å; V142-T234 HydrophobicContact CG2-CG2 3.67Å; L147-T234 WeakPolarHBondContact CA-O 3.49Å; Y148-T234 PolarHBondContact N-O 3.4Å; G232-T234 PolarHBondContact O-N 3.12Å; T234-A236 PolarHBondContact O-N 3.44Å
235	G	96.8	Very high	91.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	71.7	1.2	-172.1	0	0	0	0	0	114.4	D253 D254	G235-D253 CarbonylContact O-C 3.6Å; G235-D253 VanDerWaalsContact O-CA 3.22Å; G235-D253 WeakPolarHBondContact O-CA 3.41Å; G235-D254 PolarHBondContact O-N 3.21Å
236	A	97.1	Very high	91.8	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.017	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	145.8	174	0	0	0	0	0	111	Y134 I137 Y148 T234 V251 V252	Y134-A236 HydrophobicContact CD2-CB 4.16Å; Y134-A236 HydrophobicContact CE2-CB 3.97Å; Y134-A236 WeakPolarHBondContact CE2-O 3.25Å; I137-A236 HydrophobicContact CG2-CB 4.06Å; Y148-A236 HydrophobicContact CD1-CB 3.65Å; Y148-A236 HydrophobicContact CG-CB 3.9Å; T234-A236 PolarHBondContact O-N 3.44Å; A236-V251 HydrophobicContact CB-CG1 4.23Å; A236-V252 CarbonylContact C-O 3.54Å; A236-V252 WeakPolarHBondContact CA-O 3.5Å
237	F	97.5	Very high	91.8	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	151.5	175.8	-71.4	-92.2	0	0	0	109.6	F184 Q226 F228 Y233 F239 V251 V252 D254 L280	F184-F237 HydrophobicContact CB-CE1 4.38Å; F184-F237 AromaticContact CD2-CD1 3.48Å; F184-F237 HydrophobicContact CD2-CD1 3.48Å; F184-F237 VanDerWaalsContact CD2-CD1 3.48Å; F184-F237 AromaticContact CD2-CE1 3.37Å; F184-F237 HydrophobicContact CD2-CE1 3.37Å; F184-F237 HydrophobicContact CD2-CZ 4.47Å; F184-F237 AromaticContact CE2-CD1 3.47Å; F184-F237 HydrophobicContact CE2-CD1 3.47Å; F184-F237 VanDerWaalsContact CE2-CD1 3.47Å; F184-F237 AromaticContact CE2-CE1 3.9Å; F184-F237 HydrophobicContact CE2-CE1 3.9Å; F184-F237 HydrophobicContact CE2-CG 4.44Å; F184-F237 HydrophobicContact CG-CD1 4.45Å; F184-F237 HydrophobicContact CG-CE1 4.09Å; F184-F237 HydrophobicContact CZ-CD1 4.44Å; Q226-F237 HydrophobicContact CB-CD1 4.09Å; Q226-F237 HydrophobicContact CB-CE1 4.18Å; F228-F237 HydrophobicContact CD1-CE1 4.49Å; F228-F237 AromaticContact CD1-CE2 3.99Å; F228-F237 HydrophobicContact CD1-CE2 3.99Å; F228-F237 AromaticContact CD1-CZ 3.46Å; F228-F237 HydrophobicContact CD1-CZ 3.46Å; F228-F237 VanDerWaalsContact CD1-CZ 3.46Å; F228-F237 HydrophobicContact CE1-CE1 4.06Å; F228-F237 AromaticContact CE1-CE2 3.4Å; F228-F237 HydrophobicContact CE1-CE2 3.4Å; F228-F237 AromaticContact CE1-CZ 3.1Å; F228-F237 HydrophobicContact CE1-CZ 3.1Å; F228-F237 HydrophobicContact CE2-CZ 4.35Å; F228-F237 HydrophobicContact CG-CZ 4.2Å; F228-F237 HydrophobicContact CZ-CE1 4.12Å; F228-F237 HydrophobicContact CZ-CE2 4.1Å; F228-F237 AromaticContact CZ-CZ 3.61Å; F228-F237 HydrophobicContact CZ-CZ 3.61Å; Y233-F237 HydrophobicContact CE2-CE2 4.37Å; F237-F239 HydrophobicContact CB-CE2 4Å; F237-V251 CarbonylContact O-C 3.6Å; F237-V251 VanDerWaalsContact O-CA 3.31Å; F237-V251 WeakPolarHBondContact O-CA 3.24Å; F237-V252 HydrophobicContact CB-CG2 4.39Å; F237-V252 PolarHBondContact N-O 2.9Å; F237-V252 PolarHBondContact O-N 3.19Å; F237-D254 HydrophobicContact CD2-CB 3.65Å; F237-D254 HydrophobicContact CE2-CB 3.5Å; F237-D254 VanDerWaalsContact CE2-CB 3.5Å; F237-L280 HydrophobicContact CB-CD1 4.41Å; F237-L280 HydrophobicContact CD1-CD1 3.93Å; F237-L280 HydrophobicContact CD2-CD1 4Å; F237-L280 HydrophobicContact CE1-CD1 4.26Å; F237-L280 HydrophobicContact CE2-CD1 4.35Å; F237-L280 HydrophobicContact CG-CD1 3.81Å; F237-L280 HydrophobicContact CZ-CD1 4.47Å
238	V	96.6	Very high	91.8	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.8	-172.1	56.4	0	0	0	0	111.1	Y134 P223 Q226 E249 V250 V251	Y134-V238 HydrophobicContact CD1-CB 4.36Å; Y134-V238 HydrophobicContact CD1-CG1 3.71Å; Y134-V238 HydrophobicContact CD2-CB 3.86Å; Y134-V238 HydrophobicContact CD2-CG1 3.88Å; Y134-V238 HydrophobicContact CE1-CG1 4.1Å; Y134-V238 HydrophobicContact CE2-CG1 4.27Å; Y134-V238 HydrophobicContact CG-CB 3.72Å; Y134-V238 HydrophobicContact CG-CG1 3.57Å; Y134-V238 HydrophobicContact CG-CG2 4.42Å; P223-V238 HydrophobicContact CB-CG1 4Å; P223-V238 WeakPolarHBondContact CD-O 3.34Å; P223-V238 HydrophobicContact CG-CB 4.42Å; P223-V238 HydrophobicContact CG-CG1 3.74Å; P223-V238 HydrophobicContact CG-CG2 4.07Å; Q226-V238 HydrophobicContact CG-CG1 4.28Å; Q226-V238 PolarHBondContact NE2-O 2.94Å; Q226-V238 PolarHBondContact OE1-O 3.4Å; V238-E249 HydrophobicContact CG2-CG 3.47Å; V238-E249 VanDerWaalsContact CG2-CG 3.47Å; V238-V250 WeakPolarHBondContact CA-O 3.29Å; V238-V251 HydrophobicContact CB-CG2 4.45Å; V238-V251 HydrophobicContact CG2-CG2 4.25Å
239	F	97.4	Very high	91.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.9	177.3	-59	-83.8	0	0	0	109	F184 I221 I222 F237 F241 V250 V252 L280 L281 A284	F184-F239 HydrophobicContact CE2-CE1 4.38Å; F184-F239 AromaticContact CE2-CZ 3.97Å; F184-F239 HydrophobicContact CE2-CZ 3.97Å; F184-F239 HydrophobicContact CZ-CE1 4.02Å; F184-F239 HydrophobicContact CZ-CZ 4.07Å; I221-F239 CarbonylContact O-C 3.5Å; I221-F239 WeakPolarHBondContact O-CA 3.28Å; I222-F239 HydrophobicContact CD1-CE1 4.31Å; I222-F239 HydrophobicContact CG1-CD1 4.04Å; I222-F239 HydrophobicContact CG1-CE1 4.18Å; I222-F239 HydrophobicContact CG2-CE1 4.35Å; F237-F239 HydrophobicContact CB-CE2 4Å; F239-F241 HydrophobicContact CB-CE2 3.96Å; F239-F241 HydrophobicContact CB-CZ 4.31Å; F239-V250 PolarHBondContact N-O 3.15Å; F239-V250 PolarHBondContact O-N 3.42Å; F239-V252 HydrophobicContact CD2-CG2 4.39Å; F239-V252 HydrophobicContact CE2-CG2 4.15Å; F239-L280 HydrophobicContact CE2-CB 3.83Å; F239-L280 WeakPolarHBondContact CE2-O 3.46Å; F239-L280 HydrophobicContact CZ-CB 3.56Å; F239-L281 HydrophobicContact CB-CD1 4.01Å; F239-L281 HydrophobicContact CD1-CB 4.06Å; F239-L281 HydrophobicContact CD1-CD1 3.35Å; F239-L281 HydrophobicContact CD1-CG 4.28Å; F239-L281 HydrophobicContact CE1-CB 3.77Å; F239-L281 HydrophobicContact CE1-CD1 3.98Å; F239-L281 HydrophobicContact CE1-CG 4.45Å; F239-L281 HydrophobicContact CG-CD1 3.82Å; F239-L281 HydrophobicContact CZ-CB 4.24Å; F239-A284 HydrophobicContact CB-CB 3.95Å; F239-A284 HydrophobicContact CD2-CB 3.37Å; F239-A284 HydrophobicContact CE2-CB 4.14Å; F239-A284 HydrophobicContact CG-CB 3.89Å
240	N	95.9	Very high	92.2	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.4	174.7	-58.3	-42.3	0	0	0	109.9	R127 N220 I221 W247 V248 E249	R127-N240 PolarHBondContact NH2-ND2 2.89Å; R127-N240 VanDerWaalsContact NH2-ND2 3.17Å; N220-N240 VanDerWaalsContact O-CB 3.3Å; N220-N240 WeakPolarHBondContact O-CB 3.4Å; N220-N240 PolarHBondContact O-ND2 2.86Å; I221-N240 WeakPolarHBondContact CA-O 2.99Å; I221-N240 PolarHBondContact O-N 3.02Å; N240-W247 HydrophobicContact CB-CE3 3.93Å; N240-V248 VanDerWaalsContact CA-O 3.27Å; N240-V248 WeakPolarHBondContact CA-O 3.29Å; N240-E249 WeakPolarHBondContact OD1-CA 3.3Å
241	F	95.7	Very high	92.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.3	172.2	-59.3	-84.1	0	0	0	108.9	F239 R243 V248 V250 L281 A284 Y285 L288 D306 F307	F239-F241 HydrophobicContact CB-CE2 3.96Å; F239-F241 HydrophobicContact CB-CZ 4.31Å; F241-R243 PolarHBondContact O-N 2.7Å; F241-V248 PolarHBondContact N-O 3.43Å; F241-V248 PolarHBondContact O-N 2.86Å; F241-V250 HydrophobicContact CD2-CB 4.43Å; F241-V250 HydrophobicContact CD2-CG2 3.86Å; F241-V250 HydrophobicContact CE2-CB 4.4Å; F241-V250 HydrophobicContact CE2-CG2 4.26Å; F241-L281 HydrophobicContact CE1-CD1 3.82Å; F241-L281 HydrophobicContact CZ-CD1 3.53Å; F241-L281 HydrophobicContact CZ-CG 4.44Å; F241-A284 HydrophobicContact CE2-CB 3.92Å; F241-A284 HydrophobicContact CZ-CB 4.25Å; F241-Y285 AromaticContact CD1-CD2 3.61Å; F241-Y285 HydrophobicContact CD1-CD2 3.61Å; F241-Y285 HydrophobicContact CD1-CE2 4.14Å; F241-Y285 HydrophobicContact CD2-CD2 4.5Å; F241-Y285 AromaticContact CE1-CD2 3.48Å; F241-Y285 HydrophobicContact CE1-CD2 3.48Å; F241-Y285 VanDerWaalsContact CE1-CD2 3.48Å; F241-Y285 HydrophobicContact CE1-CE2 4.37Å; F241-Y285 HydrophobicContact CE1-CG 4.12Å; F241-Y285 HydrophobicContact CE2-CD2 4.39Å; F241-Y285 HydrophobicContact CG-CD2 4.12Å; F241-Y285 AromaticContact CZ-CD2 3.89Å; F241-Y285 HydrophobicContact CZ-CD2 3.89Å; F241-Y285 HydrophobicContact CZ-CG 4.27Å; F241-L288 HydrophobicContact CB-CD2 3.64Å; F241-L288 HydrophobicContact CD2-CD2 3.76Å; F241-L288 HydrophobicContact CG-CD2 3.76Å; F241-D306 CarbonylContact C-O 3.53Å; F241-D306 WeakPolarHBondContact CA-O 3.36Å; F241-F307 HydrophobicContact CD1-CD1 4.39Å; F241-F307 HydrophobicContact CD1-CE1 4.28Å; F241-F307 HydrophobicContact CE1-CD1 4.29Å; F241-F307 AromaticContact CE1-CE1 3.75Å; F241-F307 HydrophobicContact CE1-CE1 3.75Å; F241-F307 HydrophobicContact CE1-CZ 4.26Å
242	W	93.7	Very high	93.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.3	173.2	-173.4	95.6	0	0	0	109.6	G245 E246 W247 D306 G309 S447 M514 I593	W242-G245 VanDerWaalsContact CZ2-CA 3.46Å; W242-E246 CarbonylContact C-O 3.57Å; W242-E246 WeakPolarHBondContact CA-O 3.44Å; W242-W247 HydrophobicContact CB-CD2 4.1Å; W242-W247 HydrophobicContact CB-CE3 4.16Å; W242-W247 HydrophobicContact CB-CH2 4.44Å; W242-W247 HydrophobicContact CB-CZ2 4.37Å; W242-W247 HydrophobicContact CB-CZ3 4.33Å; W242-W247 AromaticContact CD1-CD1 3.98Å; W242-W247 AromaticContact CD1-NE1 3.83Å; W242-D306 PolarHBondContact N-O 3.31Å; W242-D306 WeakPolarHBondContact O-CA 3.38Å; W242-G309 VanDerWaalsContact CD2-CA 3.43Å; W242-S447 PolarHBondContact NE1-OG 2.97Å; W242-M514 HydrophobicContact CH2-CE 4.41Å; W242-M514 HydrophobicContact CZ3-CE 3.95Å; W242-M514 HydrophobicContact CZ3-SD 4.29Å; W242-I593 HydrophobicContact CH2-CD1 3.44Å; W242-I593 VanDerWaalsContact CH2-CD1 3.44Å; W242-I593 HydrophobicContact CZ2-CD1 4.15Å; W242-I593 HydrophobicContact CZ3-CD1 4.33Å
243	R	88	Confident	94.1	Very high	17 Å²	17	16.1 Å²	16.1	6%	0.064	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	120.8	175.6	-59	-62.2	-71.8	-174.6	-6.1	108.5	F241 G245 E246 V248 L288 D306 R564	F241-R243 PolarHBondContact O-N 2.7Å; R243-G245 VanDerWaalsContact C-N 3.3Å; R243-G245 PolarHBondContact O-N 2.85Å; R243-G245 VanDerWaalsContact O-N 3.11Å; R243-E246 PolarHBondContact N-O 3.24Å; R243-E246 WeakPolarHBondContact O-CG 3.46Å; R243-E246 PolarHBondContact O-N 2.97Å; R243-E246 VanDerWaalsContact O-O 3.05Å; R243-V248 HydrophobicContact CB-CG2 3.72Å; R243-V248 HydrophobicContact CG-CB 4.25Å; R243-V248 HydrophobicContact CG-CG2 3.87Å; R243-L288 HydrophobicContact CG-CD1 4.47Å; R243-L288 HydrophobicContact CG-CD2 4.31Å; R243-D306 WeakPolarHBondContact CD-OD1 3.4Å; R243-D306 IonicContact CZ-OD1 2.94Å; R243-D306 IonicContact NH1-OD1 3.57Å; R243-D306 PolarHBondContact NH1-OD1 2.88Å; R243-D306 IonicContact NH1-OD2 3.96Å; R243-D306 PolarHBondContact NH1-OD2 3.38Å; R243-R564 VanDerWaalsContact NH1-NH1 3.15Å
244	F	85.3	Confident	94.2	Very high	14 Å²	14	14.7 Å²	14.7	6%	0.061	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	43.6	164.6	-61.7	-73	0	0	0	115.5	M514 Q515 E516 H517 I593	F244-M514 HydrophobicContact CD1-CG 4.28Å; F244-M514 HydrophobicContact CD1-SD 3.74Å; F244-M514 HydrophobicContact CE1-CB 4.38Å; F244-M514 HydrophobicContact CE1-CG 3.56Å; F244-M514 HydrophobicContact CE1-SD 3.28Å; F244-M514 WeakPolarHBondContact CE1-SD 3.41Å; F244-M514 HydrophobicContact CZ-CG 4.35Å; F244-M514 HydrophobicContact CZ-SD 3.88Å; F244-Q515 WeakPolarHBondContact CE1-O 3.47Å; F244-Q515 WeakPolarHBondContact CZ-O 3.44Å; F244-E516 HydrophobicContact CB-CG 3.9Å; F244-E516 HydrophobicContact CD1-CB 4.07Å; F244-E516 HydrophobicContact CD1-CG 3.71Å; F244-E516 HydrophobicContact CD2-CB 4.48Å; F244-E516 HydrophobicContact CD2-CG 3.57Å; F244-E516 HydrophobicContact CE1-CB 4.16Å; F244-E516 HydrophobicContact CE1-CG 4.17Å; F244-E516 HydrophobicContact CE2-CG 4.06Å; F244-E516 HydrophobicContact CG-CB 4.27Å; F244-E516 HydrophobicContact CG-CG 3.41Å; F244-E516 VanDerWaalsContact CG-CG 3.41Å; F244-E516 HydrophobicContact CZ-CB 4.43Å; F244-E516 HydrophobicContact CZ-CG 4.36Å; F244-H517 VanDerWaalsContact CE2-N 3.31Å; F244-I593 HydrophobicContact CB-CG2 4.24Å; F244-I593 HydrophobicContact CD1-CD1 4.5Å; F244-I593 HydrophobicContact CD1-CG1 4.43Å; F244-I593 HydrophobicContact CD1-CG2 4.42Å
245	G	85.2	Confident	94.4	Very high	12 Å²	12	16.1 Å²	16.1	12%	0.124	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	-2.6	177.1	0	0	0	0	0	115.1	W242 R243	W242-G245 VanDerWaalsContact CZ2-CA 3.46Å; R243-G245 VanDerWaalsContact C-N 3.3Å; R243-G245 PolarHBondContact O-N 2.85Å; R243-G245 VanDerWaalsContact O-N 3.11Å
246	E	88	Confident	94.4	Very high	121 Å²	121	16.3 Å²	16.3	57%	0.565	8%	0.08	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.4	177.9	61.8	177.2	-169.8	0	0	113	W242 R243 V248	W242-E246 CarbonylContact C-O 3.57Å; W242-E246 WeakPolarHBondContact CA-O 3.44Å; R243-E246 PolarHBondContact N-O 3.24Å; R243-E246 WeakPolarHBondContact O-CG 3.46Å; R243-E246 PolarHBondContact O-N 2.97Å; R243-E246 VanDerWaalsContact O-O 3.05Å; E246-V248 HydrophobicContact CG-CG2 4.27Å
247	W	90.7	Very high	94.4	Very high	22 Å²	22	16.2 Å²	16.2	8%	0.083	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.3	171.9	-73.9	91.4	0	0	0	109.9	P123 M126 L217 N220 I221 N240 W242 F307 S447	P123-W247 HydrophobicContact CB-CB 4.44Å; P123-W247 HydrophobicContact CG-CB 3.54Å; P123-W247 VanDerWaalsContact CG-CD1 3.49Å; P123-W247 HydrophobicContact CG-CD2 3.56Å; P123-W247 HydrophobicContact CG-CE3 4.23Å; P123-W247 HydrophobicContact CG-CG 3.25Å; M126-W247 HydrophobicContact CE-CB 4.44Å; L217-W247 HydrophobicContact CD1-CH2 3.99Å; L217-W247 HydrophobicContact CD1-CZ2 4.26Å; N220-W247 HydrophobicContact CB-CH2 3.86Å; N220-W247 HydrophobicContact CB-CZ2 3.97Å; N220-W247 HydrophobicContact CB-CZ3 4.22Å; I221-W247 HydrophobicContact CG1-CH2 4.3Å; I221-W247 HydrophobicContact CG1-CZ3 4.16Å; N240-W247 HydrophobicContact CB-CE3 3.93Å; W242-W247 HydrophobicContact CB-CD2 4.1Å; W242-W247 HydrophobicContact CB-CE3 4.16Å; W242-W247 HydrophobicContact CB-CH2 4.44Å; W242-W247 HydrophobicContact CB-CZ2 4.37Å; W242-W247 HydrophobicContact CB-CZ3 4.33Å; W242-W247 AromaticContact CD1-CD1 3.98Å; W242-W247 AromaticContact CD1-NE1 3.83Å; W247-F307 WeakPolarHBondContact CH2-O 3.43Å; W247-S447 PolarHBondContact NE1-O 2.81Å
248	V	92.1	Very high	94.4	Very high	43 Å²	43	16.2 Å²	16.2	26%	0.261	8%	0.08	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.8	-177.4	178.8	0	0	0	0	109.7	N240 F241 R243 E246 V250 L288	N240-V248 VanDerWaalsContact CA-O 3.27Å; N240-V248 WeakPolarHBondContact CA-O 3.29Å; F241-V248 PolarHBondContact N-O 3.43Å; F241-V248 PolarHBondContact O-N 2.86Å; R243-V248 HydrophobicContact CB-CG2 3.72Å; R243-V248 HydrophobicContact CG-CB 4.25Å; R243-V248 HydrophobicContact CG-CG2 3.87Å; E246-V248 HydrophobicContact CG-CG2 4.27Å; V248-V250 HydrophobicContact CG1-CG2 4.49Å; V248-L288 HydrophobicContact CG1-CD1 4.49Å
249	E	94.7	Very high	94.4	Very high	51 Å²	51	19.1 Å²	19.1	24%	0.238	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	130.6	173.4	-174.5	-179.3	66.4	0	0	110.4	S132 Q133 V238 N240 V251	S132-E249 WeakPolarHBondContact CB-OE2 3.39Å; S132-E249 PolarHBondContact OG-OE2 3.43Å; Q133-E249 WeakPolarHBondContact CA-OE1 3.45Å; Q133-E249 VanDerWaalsContact CB-OE1 3.24Å; Q133-E249 WeakPolarHBondContact CB-OE1 3.28Å; Q133-E249 PolarHBondContact N-OE1 2.96Å; V238-E249 HydrophobicContact CG2-CG 3.47Å; V238-E249 VanDerWaalsContact CG2-CG 3.47Å; N240-E249 WeakPolarHBondContact OD1-CA 3.3Å; E249-V251 HydrophobicContact CG-CG2 4.31Å
250	V	96.7	Very high	94.4	Very high	8 Å²	8	25.7 Å²	25.7	5%	0.048	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.1	176.7	-174.9	0	0	0	0	109	V238 F239 F241 V248 V252 A284 K287 L288	V238-V250 WeakPolarHBondContact CA-O 3.29Å; F239-V250 PolarHBondContact N-O 3.15Å; F239-V250 PolarHBondContact O-N 3.42Å; F241-V250 HydrophobicContact CD2-CB 4.43Å; F241-V250 HydrophobicContact CD2-CG2 3.86Å; F241-V250 HydrophobicContact CE2-CB 4.4Å; F241-V250 HydrophobicContact CE2-CG2 4.26Å; V248-V250 HydrophobicContact CG1-CG2 4.49Å; V250-V252 HydrophobicContact CG1-CG1 4.41Å; V250-A284 HydrophobicContact CB-CB 4.41Å; V250-A284 HydrophobicContact CG1-CB 4.01Å; V250-A284 WeakPolarHBondContact CG1-O 3.49Å; V250-K287 HydrophobicContact CG1-CB 4.34Å; V250-K287 HydrophobicContact CG1-CD 3.9Å; V250-K287 HydrophobicContact CG1-CG 4.2Å; V250-L288 HydrophobicContact CG2-CB 4.4Å; V250-L288 HydrophobicContact CG2-CD1 4.04Å
251	V	97.7	Very high	94.4	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.1	176.4	-172.1	0	0	0	0	109.5	Q133 Y134 I137 Y148 D150 A236 F237 V238 E249 K287	Q133-V251 HydrophobicContact CB-CG2 4.24Å; Y134-V251 HydrophobicContact CD2-CG1 4.24Å; I137-V251 HydrophobicContact CD1-CB 4.14Å; I137-V251 HydrophobicContact CD1-CG1 3.83Å; I137-V251 HydrophobicContact CD1-CG2 4.39Å; Y148-V251 HydrophobicContact CE1-CG1 4.1Å; D150-V251 VanDerWaalsContact OD2-O 3.08Å; A236-V251 HydrophobicContact CB-CG1 4.23Å; F237-V251 CarbonylContact O-C 3.6Å; F237-V251 VanDerWaalsContact O-CA 3.31Å; F237-V251 WeakPolarHBondContact O-CA 3.24Å; V238-V251 HydrophobicContact CB-CG2 4.45Å; V238-V251 HydrophobicContact CG2-CG2 4.25Å; E249-V251 HydrophobicContact CG-CG2 4.31Å; V251-K287 PolarHBondContact O-NZ 3.09Å
252	V	98.4	Very high	94.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	155.1	176.5	-67.5	0	0	0	0	110.9	A236 F237 F239 V250 K283 A284 K287	A236-V252 CarbonylContact C-O 3.54Å; A236-V252 WeakPolarHBondContact CA-O 3.5Å; F237-V252 HydrophobicContact CB-CG2 4.39Å; F237-V252 PolarHBondContact N-O 2.9Å; F237-V252 PolarHBondContact O-N 3.19Å; F239-V252 HydrophobicContact CD2-CG2 4.39Å; F239-V252 HydrophobicContact CE2-CG2 4.15Å; V250-V252 HydrophobicContact CG1-CG1 4.41Å; V252-K283 HydrophobicContact CB-CD 4.29Å; V252-K283 HydrophobicContact CG1-CG 4.37Å; V252-K283 HydrophobicContact CG2-CD 4.46Å; V252-A284 HydrophobicContact CG1-CB 4.04Å; V252-A284 HydrophobicContact CG2-CB 4.3Å; V252-K287 HydrophobicContact CG1-CB 4.21Å; V252-K287 HydrophobicContact CG1-CD 3.8Å
253	D	98.1	Very high	94.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	165.5	162.3	73.3	66.2	0	0	0	111.9	Y148 D150 G235 R255 K283	Y148-D253 HydrophobicContact CD1-CB 3.84Å; Y148-D253 HydrophobicContact CE1-CB 4.47Å; Y148-D253 WeakPolarHBondContact O-CB 3.26Å; D150-D253 HydrophobicContact CB-CB 4.31Å; D150-D253 WeakPolarHBondContact CB-OD2 3.34Å; D150-D253 PolarHBondContact N-OD2 3.21Å; G235-D253 CarbonylContact O-C 3.6Å; G235-D253 VanDerWaalsContact O-CA 3.22Å; G235-D253 WeakPolarHBondContact O-CA 3.41Å; D253-R255 VanDerWaalsContact CG-NE 3.35Å; D253-R255 VanDerWaalsContact OD1-CB 3.24Å; D253-R255 WeakPolarHBondContact OD1-CB 3.43Å; D253-R255 WeakPolarHBondContact OD1-CG 3.34Å; D253-R255 IonicContact OD1-CZ 2.84Å; D253-R255 PolarHBondContact OD1-N 2.68Å; D253-R255 IonicContact OD1-NE 3.9Å; D253-R255 PolarHBondContact OD1-NE 3.09Å; D253-R255 IonicContact OD1-NH2 3.3Å; D253-R255 IonicContact OD2-CZ 3.32Å; D253-R255 IonicContact OD2-NE 3.76Å; D253-R255 PolarHBondContact OD2-NE 3.14Å; D253-R255 IonicContact OD2-NH2 2.67Å; D253-R255 PolarHBondContact OD2-NH2 3Å; D253-K283 WeakPolarHBondContact O-CE 3.45Å; D253-K283 PolarHBondContact O-NZ 3.43Å; D253-K283 IonicContact OD1-NZ 3.83Å; D253-K283 PolarHBondContact OD1-NZ 3.46Å; D253-K283 IonicContact OD2-NZ 3.04Å
254	D	97.8	Very high	94.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-88.1	3.3	-174.8	73.2	-4.8	0	0	0	116.2	R174 P175 F228 Y233 G235 F237 I256 L280	R174-D254 WeakPolarHBondContact CD-OD1 3.37Å; R174-D254 VanDerWaalsContact CG-OD1 3.32Å; R174-D254 WeakPolarHBondContact CG-OD1 3.34Å; R174-D254 IonicContact CZ-OD1 2.88Å; R174-D254 IonicContact NE-OD1 3.79Å; R174-D254 IonicContact NH1-OD1 3Å; R174-D254 PolarHBondContact NH1-OD1 3.18Å; P175-D254 VanDerWaalsContact CD-O 3.25Å; P175-D254 WeakPolarHBondContact CD-O 3.5Å; P175-D254 WeakPolarHBondContact CD-OD2 3.48Å; P175-D254 HydrophobicContact CG-CB 4.2Å; F228-D254 HydrophobicContact CE1-CB 4.16Å; Y233-D254 WeakPolarHBondContact CE2-OD2 3.19Å; Y233-D254 VanDerWaalsContact CZ-OD2 3.24Å; Y233-D254 PolarHBondContact OH-OD2 3.42Å; G235-D254 PolarHBondContact O-N 3.21Å; F237-D254 HydrophobicContact CD2-CB 3.65Å; F237-D254 HydrophobicContact CE2-CB 3.5Å; F237-D254 VanDerWaalsContact CE2-CB 3.5Å; D254-I256 WeakPolarHBondContact O-CG1 3.3Å; D254-I256 PolarHBondContact O-N 3.5Å; D254-L280 HydrophobicContact CB-CD2 4.15Å
255	R	98.3	Very high	95.3	Very high	36 Å²	36	38.1 Å²	38.1	14%	0.136	22%	0.217	C	C	.	.			trans	-68	126.1	179	-63.4	169.8	-71.6	-170.1	3.6	109.7	Q149 A155 W172 K173 R174 D253 K283	Q149-R255 VanDerWaalsContact CA-NH2 3.28Å; Q149-R255 VanDerWaalsContact CB-NH2 3.32Å; A155-R255 HydrophobicContact CB-CB 4.04Å; W172-R255 HydrophobicContact CB-CB 4.36Å; W172-R255 HydrophobicContact CE3-CB 4.14Å; W172-R255 VanDerWaalsContact CE3-O 3.24Å; W172-R255 VanDerWaalsContact CZ3-O 3.31Å; W172-R255 WeakPolarHBondContact CZ3-O 3.47Å; K173-R255 CarbonylContact O-C 3.54Å; K173-R255 WeakPolarHBondContact O-CA 3.47Å; R174-R255 HydrophobicContact CG-CG 3.78Å; D253-R255 VanDerWaalsContact CG-NE 3.35Å; D253-R255 VanDerWaalsContact OD1-CB 3.24Å; D253-R255 WeakPolarHBondContact OD1-CB 3.43Å; D253-R255 WeakPolarHBondContact OD1-CG 3.34Å; D253-R255 IonicContact OD1-CZ 2.84Å; D253-R255 PolarHBondContact OD1-N 2.68Å; D253-R255 IonicContact OD1-NE 3.9Å; D253-R255 PolarHBondContact OD1-NE 3.09Å; D253-R255 IonicContact OD1-NH2 3.3Å; D253-R255 IonicContact OD2-CZ 3.32Å; D253-R255 IonicContact OD2-NE 3.76Å; D253-R255 PolarHBondContact OD2-NE 3.14Å; D253-R255 IonicContact OD2-NH2 2.67Å; D253-R255 PolarHBondContact OD2-NH2 3Å; R255-K283 PolarHBondContact O-NZ 3.04Å
256	I	98	Very high	95.8	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.8	-176.4	-55.7	-54.3	0	0	0	110.2	W172 K173 P175 I178 D254 V258 P265 F276 C279 L280	W172-I256 WeakPolarHBondContact CA-O 3.39Å; K173-I256 PolarHBondContact N-O 3.41Å; K173-I256 PolarHBondContact O-N 2.99Å; P175-I256 HydrophobicContact CG-CG1 4.4Å; I178-I256 HydrophobicContact CD1-CB 3.98Å; I178-I256 HydrophobicContact CD1-CG1 4.45Å; D254-I256 WeakPolarHBondContact O-CG1 3.3Å; D254-I256 PolarHBondContact O-N 3.5Å; I256-V258 PolarHBondContact O-N 2.99Å; I256-P265 HydrophobicContact CG2-CB 4.47Å; I256-F276 HydrophobicContact CG1-CD1 4.44Å; I256-C279 HydrophobicContact CD1-CB 4.44Å; I256-C279 VanDerWaalsContact CD1-SG 3.6Å; I256-L280 HydrophobicContact CD1-CD2 3.57Å; I256-L280 HydrophobicContact CD1-CG 4.08Å
257	P	97.5	Very high	96.1	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	117	168	-21.1	33.9	0	0	0	111	I160 V170 W172 V266 F267 Y292	I160-P257 HydrophobicContact CD1-CB 4.09Å; I160-P257 HydrophobicContact CD1-CG 3.9Å; V170-P257 HydrophobicContact CG1-CB 3.72Å; W172-P257 HydrophobicContact CD2-CG 4.22Å; W172-P257 HydrophobicContact CE3-CG 3.89Å; W172-P257 HydrophobicContact CH2-CG 3.59Å; W172-P257 HydrophobicContact CZ2-CG 3.89Å; W172-P257 HydrophobicContact CZ3-CG 3.57Å; P257-V266 HydrophobicContact CB-CB 4.4Å; P257-V266 HydrophobicContact CB-CG2 4.32Å; P257-V266 PolarHBondContact O-N 3.26Å; P257-F267 HydrophobicContact CB-CD2 4.04Å; P257-F267 HydrophobicContact CB-CE2 3.87Å; P257-F267 HydrophobicContact CG-CD2 3.97Å; P257-F267 HydrophobicContact CG-CE2 3.85Å; P257-Y292 HydrophobicContact CG-CE2 3.9Å
258	V	97.6	Very high	96.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	154.9	172.9	-60.5	0	0	0	0	110.6	V170 E171 K173 I178 I256 K260 N264	V170-V258 WeakPolarHBondContact CA-O 3.3Å; E171-V258 HydrophobicContact CB-CG2 4.07Å; E171-V258 PolarHBondContact N-O 3.24Å; E171-V258 WeakPolarHBondContact O-CG2 3.06Å; E171-V258 PolarHBondContact O-N 3.45Å; K173-V258 HydrophobicContact CB-CG2 4.33Å; K173-V258 HydrophobicContact CD-CG2 3.83Å; K173-V258 HydrophobicContact CG-CG2 3.84Å; I178-V258 HydrophobicContact CD1-CG1 3.53Å; I178-V258 HydrophobicContact CG1-CG1 3.99Å; I256-V258 PolarHBondContact O-N 2.99Å; V258-K260 PolarHBondContact O-N 2.73Å; V258-N264 CarbonylContact C-O 3.5Å; V258-N264 WeakPolarHBondContact CA-O 3.47Å; V258-N264 WeakPolarHBondContact CB-O 3.44Å
259	V	96.5	Very high	96.4	Very high	63 Å²	63	31.9 Å²	31.9	38%	0.382	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	126.2	172.4	179.1	0	0	0	0	108.2	G261 T262 N264 V266	V259-G261 PolarHBondContact O-N 3.48Å; V259-T262 HydrophobicContact CB-CG2 4.37Å; V259-T262 WeakPolarHBondContact CB-OG1 3.25Å; V259-T262 HydrophobicContact CG1-CG2 4.26Å; V259-T262 WeakPolarHBondContact O-CA 3.41Å; V259-T262 WeakPolarHBondContact O-CB 3.47Å; V259-T262 PolarHBondContact O-N 2.88Å; V259-T262 PolarHBondContact O-OG1 3.42Å; V259-N264 PolarHBondContact N-O 3.27Å; V259-V266 HydrophobicContact CG2-CG2 3.99Å
260	K	95.7	Very high	96.3	Very high	139 Å²	139	29.6 Å²	29.6	60%	0.604	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.7	127.1	-173.9	-176.2	174.8	-175	173.3	0	111.7	R169 V258 T262	R169-K260 WeakPolarHBondContact O-CB 3.39Å; R169-K260 PolarHBondContact O-N 2.83Å; V258-K260 PolarHBondContact O-N 2.73Å; K260-T262 VanDerWaalsContact C-N 3.3Å
261	G	95.8	Very high	95.8	Very high	66 Å²	66	33.5 Å²	33.5	68%	0.68	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	6.5	-178.3	0	0	0	0	0	115	E171 V259	E171-G261 PolarHBondContact OE2-N 3.08Å; V259-G261 PolarHBondContact O-N 3.48Å
262	T	96.1	Very high	95.4	Very high	45 Å²	45	36.2 Å²	36.2	28%	0.276	21%	0.211	S	C	.	.	S	Bend	trans	-125.8	-179.4	177.7	80.3	0	0	0	0	111.4	K173 V259 K260 N264	K173-T262 PolarHBondContact NZ-O 3.18Å; V259-T262 HydrophobicContact CB-CG2 4.37Å; V259-T262 WeakPolarHBondContact CB-OG1 3.25Å; V259-T262 HydrophobicContact CG1-CG2 4.26Å; V259-T262 WeakPolarHBondContact O-CA 3.41Å; V259-T262 WeakPolarHBondContact O-CB 3.47Å; V259-T262 PolarHBondContact O-N 2.88Å; V259-T262 PolarHBondContact O-OG1 3.42Å; K260-T262 VanDerWaalsContact C-N 3.3Å; T262-N264 PolarHBondContact OG1-N 2.91Å; T262-N264 VanDerWaalsContact OG1-N 3.11Å
263	C	95.7	Very high	95.1	Very high	53 Å²	53	41.9 Å²	41.9	36%	0.358	24%	0.241	S	C	.	.	S	Bend	trans	-112.3	21.1	168.4	-67.3	0	0	0	0	111.4	I178 P265	I178-C263 HydrophobicContact CG2-CB 3.99Å; I178-C263 VanDerWaalsContact CG2-O 3.3Å; I178-C263 WeakPolarHBondContact CG2-O 3.46Å; C263-P265 WeakPolarHBondContact O-CD 3.45Å
264	N	95	Very high	94.9	Very high	104 Å²	104	42.9 Å²	42.9	56%	0.556	25%	0.248	S	C	*	.			trans	-91.2	119.8	-179.1	-63.7	-16.4	0	0	0	109.4	V258 V259 T262	V258-N264 CarbonylContact C-O 3.5Å; V258-N264 WeakPolarHBondContact CA-O 3.47Å; V258-N264 WeakPolarHBondContact CB-O 3.44Å; V259-N264 PolarHBondContact N-O 3.27Å; T262-N264 PolarHBondContact OG1-N 2.91Å; T262-N264 VanDerWaalsContact OG1-N 3.11Å
265	P	96.1	Very high	94.7	Very high	31 Å²	31	43.2 Å²	43.2	20%	0.201	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-54.9	143.7	171.1	-25	35.6	0	0	0	111.6	I256 C263 H269	I256-P265 HydrophobicContact CG2-CB 4.47Å; C263-P265 WeakPolarHBondContact O-CD 3.45Å; P265-H269 HydrophobicContact CB-CB 3.92Å; P265-H269 HydrophobicContact CG-CB 3.94Å
266	V	95.4	Very high	94.7	Very high	12 Å²	12	41.8 Å²	41.8	7%	0.073	25%	0.245	C	C	.	.	S	Bend	trans	-81.4	-33.5	179.3	-178.4	0	0	0	0	111.6	V166 V170 A198 P257 V259	V166-V266 HydrophobicContact CG1-CG1 3.91Å; V170-V266 HydrophobicContact CG2-CG2 4.26Å; A198-V266 HydrophobicContact CB-CG1 4.16Å; A198-V266 WeakPolarHBondContact CB-O 3.4Å; A198-V266 PolarHBondContact N-O 3.44Å; P257-V266 HydrophobicContact CB-CB 4.4Å; P257-V266 HydrophobicContact CB-CG2 4.32Å; P257-V266 PolarHBondContact O-N 3.26Å; V259-V266 HydrophobicContact CG2-CG2 3.99Å
267	F	95.4	Very high	94.6	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.013	24%	0.244	C	C	.	.	S	Bend	trans	-114.2	-145.5	-169.2	-54.4	-54.5	0	0	0	111.7	I160 L163 G197 L199 P257 H269 E282 Y292	I160-F267 HydrophobicContact CD1-CE2 3.8Å; I160-F267 HydrophobicContact CD1-CZ 4.14Å; L163-F267 HydrophobicContact CD1-CE1 4.3Å; L163-F267 HydrophobicContact CD1-CZ 4.2Å; G197-F267 VanDerWaalsContact CA-O 3.29Å; G197-F267 WeakPolarHBondContact CA-O 3.24Å; G197-F267 PolarHBondContact N-O 3.34Å; L199-F267 HydrophobicContact CB-CD1 3.72Å; L199-F267 HydrophobicContact CB-CE1 4.11Å; L199-F267 HydrophobicContact CD1-CE1 4.35Å; L199-F267 HydrophobicContact CD2-CD1 4.31Å; L199-F267 HydrophobicContact CD2-CE1 4.5Å; P257-F267 HydrophobicContact CB-CD2 4.04Å; P257-F267 HydrophobicContact CB-CE2 3.87Å; P257-F267 HydrophobicContact CG-CD2 3.97Å; P257-F267 HydrophobicContact CG-CE2 3.85Å; F267-H269 PolarHBondContact O-N 2.93Å; F267-H269 PolarHBondContact O-ND1 3.45Å; F267-E282 WeakPolarHBondContact CB-OE1 3.4Å; F267-E282 WeakPolarHBondContact CB-OE2 3.44Å; F267-Y292 HydrophobicContact CB-CE1 4.32Å; F267-Y292 AromaticContact CD2-CD1 3.38Å; F267-Y292 HydrophobicContact CD2-CD1 3.38Å; F267-Y292 HydrophobicContact CD2-CD2 4.41Å; F267-Y292 AromaticContact CD2-CE1 3.29Å; F267-Y292 HydrophobicContact CD2-CE1 3.29Å; F267-Y292 HydrophobicContact CD2-CE2 4.34Å; F267-Y292 AromaticContact CD2-CG 3.95Å; F267-Y292 HydrophobicContact CD2-CG 3.95Å; F267-Y292 AromaticContact CD2-CZ 3.8Å; F267-Y292 AromaticContact CE2-CD1 3.46Å; F267-Y292 HydrophobicContact CE2-CD1 3.46Å; F267-Y292 VanDerWaalsContact CE2-CD1 3.46Å; F267-Y292 AromaticContact CE2-CD2 3.87Å; F267-Y292 HydrophobicContact CE2-CD2 3.87Å; F267-Y292 AromaticContact CE2-CE1 3.74Å; F267-Y292 HydrophobicContact CE2-CE1 3.74Å; F267-Y292 HydrophobicContact CE2-CE2 4.13Å; F267-Y292 AromaticContact CE2-CG 3.51Å; F267-Y292 HydrophobicContact CE2-CG 3.51Å; F267-Y292 AromaticContact CG-CD1 3.98Å; F267-Y292 HydrophobicContact CG-CD1 3.98Å; F267-Y292 HydrophobicContact CG-CE1 4.02Å; F267-Y292 HydrophobicContact CZ-CD1 4.11Å; F267-Y292 HydrophobicContact CZ-CG 4.01Å
268	I	94.9	Very high	94.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.244	C	C	.	.	S	Bend	trans	-56.4	136.3	-179.3	-69.2	175.4	0	0	0	110.1	V194 D195 D201 F204 A205 M208 C279 E282	V194-I268 HydrophobicContact CG1-CG2 4.12Å; D195-I268 VanDerWaalsContact O-CA 3.25Å; D195-I268 WeakPolarHBondContact O-CA 3.16Å; D201-I268 WeakPolarHBondContact OD2-CD1 2.97Å; F204-I268 HydrophobicContact CD1-CD1 3.88Å; F204-I268 HydrophobicContact CE1-CD1 3.89Å; A205-I268 HydrophobicContact CB-CD1 3.85Å; A205-I268 HydrophobicContact CB-CG1 4.47Å; M208-I268 HydrophobicContact CE-CD1 4Å; I268-C279 WeakPolarHBondContact O-CB 3.29Å; I268-E282 HydrophobicContact CB-CB 4.26Å; I268-E282 HydrophobicContact CB-CG 4.4Å; I268-E282 WeakPolarHBondContact CB-OE2 3.25Å; I268-E282 HydrophobicContact CD1-CB 4.14Å; I268-E282 HydrophobicContact CD1-CG 3.99Å; I268-E282 HydrophobicContact CG1-CG 4.31Å; I268-E282 PolarHBondContact N-OE2 3.39Å
269	H	93.4	Very high	94.4	Very high	51 Å²	51	41.8 Å²	41.8	24%	0.236	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-150.6	162.6	175.5	57.4	-73.6	0	0	0	111.7	D193 D195 P265 F267	D193-H269 CarbonylContact O-C 3.5Å; D195-H269 WeakPolarHBondContact CB-O 3.16Å; D195-H269 PolarHBondContact N-O 3.08Å; D195-H269 PolarHBondContact O-N 3.25Å; D195-H269 VanDerWaalsContact O-N 3.1Å; P265-H269 HydrophobicContact CB-CB 3.92Å; P265-H269 HydrophobicContact CG-CB 3.94Å; F267-H269 PolarHBondContact O-N 2.93Å; F267-H269 PolarHBondContact O-ND1 3.45Å
270	S	91.7	Very high	94.5	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.021	23%	0.227	C	C	.	.			trans	-83.7	151.5	173.6	-176.4	0	0	0	0	111.1	D193 D272	D193-S270 WeakPolarHBondContact CA-OG 3.42Å; D193-S270 WeakPolarHBondContact CB-OG 3.47Å; D193-S270 VanDerWaalsContact O-CA 3.29Å; D193-S270 WeakPolarHBondContact O-CA 3.33Å; D193-S270 PolarHBondContact O-N 3.28Å; S270-D272 WeakPolarHBondContact CB-O 3.43Å; S270-D272 PolarHBondContact O-N 3.14Å; S270-D272 PolarHBondContact OG-N 3.49Å; S270-D272 VanDerWaalsContact OG-N 3.09Å
271	T	86	Confident	94.6	Very high	89 Å²	89	32.2 Å²	32.2	55%	0.546	20%	0.198	S	C	.	.	S	Bend	trans	-67.2	-22.5	166.7	52.8	0	0	0	0	112	F192	F192-T271 PolarHBondContact O-OG1 2.85Å
272	D	90.5	Very high	94.7	Very high	60 Å²	60	29.1 Å²	29.1	32%	0.321	17%	0.166	S	C	.	.	S	Bend	trans	-86.5	103	165.2	-176.1	-13.9	0	0	0	109.7	T186 S270 S274 E275	T186-D272 PolarHBondContact OG1-OD2 3.31Å; S270-D272 WeakPolarHBondContact CB-O 3.43Å; S270-D272 PolarHBondContact O-N 3.14Å; S270-D272 PolarHBondContact OG-N 3.49Å; S270-D272 VanDerWaalsContact OG-N 3.09Å; D272-S274 PolarHBondContact O-N 2.87Å; D272-S274 WeakPolarHBondContact OD1-CB 3.05Å; D272-S274 PolarHBondContact OD1-N 3.34Å; D272-S274 PolarHBondContact OD1-OG 3.37Å; D272-S274 PolarHBondContact OD2-OG 2.91Å; D272-E275 HydrophobicContact CB-CB 4.28Å; D272-E275 PolarHBondContact O-N 2.85Å
273	N	91.4	Very high	94.8	Very high	119 Å²	119	27 Å²	27	64%	0.636	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-3.8	-179.4	-65.6	-20.2	0	0	0	114.7	N179	N179-N273 PolarHBondContact ND2-O 3.39Å
274	S	93.9	Very high	94.9	Very high	21 Å²	21	24.4 Å²	24.4	15%	0.147	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-6.5	172.1	71.8	0	0	0	0	113.4	A182 A183 T186 D272 F276	A182-S274 CarbonylContact C-O 3.52Å; A182-S274 WeakPolarHBondContact CA-O 3.4Å; A183-S274 PolarHBondContact N-O 2.86Å; T186-S274 WeakPolarHBondContact CG2-OG 3.21Å; D272-S274 PolarHBondContact O-N 2.87Å; D272-S274 WeakPolarHBondContact OD1-CB 3.05Å; D272-S274 PolarHBondContact OD1-N 3.34Å; D272-S274 PolarHBondContact OD1-OG 3.37Å; D272-S274 PolarHBondContact OD2-OG 2.91Å; S274-F276 WeakPolarHBondContact O-CD2 3Å
275	E	94.8	Very high	95	Very high	7 Å²	7	19.5 Å²	19.5	3%	0.033	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-107.2	132.4	-175.2	-166.5	171.1	81.2	0	0	113	F184 C185 T186 D193 D272 W277	F184-E275 WeakPolarHBondContact O-CG 3.36Å; C185-E275 VanDerWaalsContact CA-OE2 3.24Å; C185-E275 WeakPolarHBondContact CA-OE2 3.47Å; C185-E275 PolarHBondContact SG-OE2 2.98Å; T186-E275 HydrophobicContact CG2-CB 4.21Å; T186-E275 PolarHBondContact N-OE2 2.97Å; T186-E275 PolarHBondContact OG1-OE2 3.46Å; D193-E275 WeakPolarHBondContact CB-OE1 3.29Å; D272-E275 HydrophobicContact CB-CB 4.28Å; D272-E275 PolarHBondContact O-N 2.85Å; E275-W277 PolarHBondContact OE1-NE1 3.09Å
276	F	96.6	Very high	94.9	Very high	6 Å²	6	18 Å²	18	3%	0.026	10%	0.1	C	C	.	.			trans	-129.8	5.4	-169.3	-68	-94.6	0	0	0	115.1	P175 I178 N179 A182 A183 F228 I256 S274 S278 C279 L280	P175-F276 HydrophobicContact CB-CB 4.48Å; P175-F276 HydrophobicContact CB-CD1 3.84Å; P175-F276 HydrophobicContact CB-CD2 3.88Å; P175-F276 HydrophobicContact CB-CE1 3.95Å; P175-F276 HydrophobicContact CB-CE2 4Å; P175-F276 HydrophobicContact CB-CG 3.8Å; P175-F276 HydrophobicContact CB-CZ 4.03Å; P175-F276 HydrophobicContact CG-CD1 4.09Å; P175-F276 HydrophobicContact CG-CG 4.21Å; I178-F276 HydrophobicContact CB-CE1 4.25Å; I178-F276 HydrophobicContact CB-CZ 4.11Å; I178-F276 HydrophobicContact CD1-CE1 4.02Å; I178-F276 HydrophobicContact CG2-CE1 3.98Å; I178-F276 HydrophobicContact CG2-CZ 3.82Å; N179-F276 HydrophobicContact CB-CE2 4.39Å; N179-F276 HydrophobicContact CB-CZ 4.28Å; A182-F276 HydrophobicContact CB-CD2 3.88Å; A182-F276 HydrophobicContact CB-CE2 3.54Å; A182-F276 HydrophobicContact CB-CZ 4.39Å; A183-F276 PolarHBondContact O-N 3.47Å; F228-F276 HydrophobicContact CE2-CB 4.04Å; F228-F276 HydrophobicContact CE2-CD2 4.49Å; F228-F276 HydrophobicContact CZ-CB 4.06Å; I256-F276 HydrophobicContact CG1-CD1 4.44Å; S274-F276 WeakPolarHBondContact O-CD2 3Å; F276-S278 VanDerWaalsContact C-N 3.32Å; F276-S278 PolarHBondContact O-N 3.45Å; F276-C279 PolarHBondContact O-SG 2.94Å; F276-L280 HydrophobicContact CB-CD1 4.49Å; F276-L280 WeakPolarHBondContact O-CB 3.29Å; F276-L280 WeakPolarHBondContact O-CD1 3.3Å; F276-L280 VanDerWaalsContact O-CG 3.26Å; F276-L280 WeakPolarHBondContact O-CG 3.38Å; F276-L280 PolarHBondContact O-N 3.31Å
277	W	96	Very high	94.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-38.4	-179.7	70.5	-93.3	0	0	0	112.5	F184 Y189 D193 V194 M208 T212 M218 I222 E275 L280 L281	F184-W277 HydrophobicContact CD1-CB 4.4Å; F184-W277 HydrophobicContact CD2-CB 4.31Å; F184-W277 HydrophobicContact CE1-CB 4.09Å; F184-W277 HydrophobicContact CE2-CB 4Å; F184-W277 HydrophobicContact CZ-CB 3.89Å; F184-W277 VanDerWaalsContact O-CB 3.29Å; F184-W277 WeakPolarHBondContact O-CB 3.4Å; F184-W277 PolarHBondContact O-N 3.15Å; Y189-W277 AromaticContact CD1-CD1 3.89Å; Y189-W277 AromaticContact CD1-CD2 3.72Å; Y189-W277 HydrophobicContact CD1-CD2 3.72Å; Y189-W277 AromaticContact CD1-CE2 3.77Å; Y189-W277 HydrophobicContact CD1-CE3 4.28Å; Y189-W277 AromaticContact CD1-CG 3.83Å; Y189-W277 HydrophobicContact CD1-CG 3.83Å; Y189-W277 HydrophobicContact CD1-CZ2 4.33Å; Y189-W277 AromaticContact CD1-NE1 3.87Å; Y189-W277 HydrophobicContact CE1-CB 4.2Å; Y189-W277 HydrophobicContact CE1-CD2 4.17Å; Y189-W277 AromaticContact CE1-CG 3.93Å; Y189-W277 HydrophobicContact CE1-CG 3.93Å; D193-W277 HydrophobicContact CB-CZ2 3.71Å; D193-W277 PolarHBondContact OD2-NE1 3.07Å; V194-W277 HydrophobicContact CG2-CH2 3.74Å; V194-W277 HydrophobicContact CG2-CZ2 4.17Å; M208-W277 HydrophobicContact CG-CH2 4.3Å; M208-W277 HydrophobicContact CG-CZ3 4.1Å; M208-W277 HydrophobicContact SD-CH2 4.26Å; M208-W277 HydrophobicContact SD-CZ3 3.93Å; T212-W277 HydrophobicContact CG2-CH2 3.77Å; T212-W277 HydrophobicContact CG2-CZ2 4.22Å; M218-W277 HydrophobicContact CE-CZ3 4.28Å; I222-W277 HydrophobicContact CD1-CD2 4.49Å; I222-W277 HydrophobicContact CD1-CE3 3.79Å; I222-W277 HydrophobicContact CD1-CZ3 4.35Å; E275-W277 PolarHBondContact OE1-NE1 3.09Å; W277-L280 PolarHBondContact O-N 3.31Å; W277-L281 HydrophobicContact CE3-CD2 4.14Å; W277-L281 HydrophobicContact CZ3-CD2 3.78Å; W277-L281 VanDerWaalsContact O-CB 3.29Å; W277-L281 WeakPolarHBondContact O-CB 3.47Å; W277-L281 PolarHBondContact O-N 2.86Å
278	S	95.8	Very high	94.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-69.4	-44.5	-173.6	54.7	0	0	0	0	112	D193 F276 L280 L281 E282	D193-S278 WeakPolarHBondContact O-CB 3.43Å; D193-S278 PolarHBondContact O-OG 3.49Å; F276-S278 VanDerWaalsContact C-N 3.32Å; F276-S278 PolarHBondContact O-N 3.45Å; S278-L280 PolarHBondContact O-N 3.01Å; S278-L281 PolarHBondContact O-N 2.71Å; S278-E282 PolarHBondContact O-N 3.34Å
279	C	96.7	Very high	94.5	Very high	4 Å²	4	20.7 Å²	20.7	3%	0.027	11%	0.113	C	C	.	.	H	α-helix	trans	-67.6	-34.3	175.2	69.4	0	0	0	0	112.6	I256 I268 F276 K283	I256-C279 HydrophobicContact CD1-CB 4.44Å; I256-C279 VanDerWaalsContact CD1-SG 3.6Å; I268-C279 WeakPolarHBondContact O-CB 3.29Å; F276-C279 PolarHBondContact O-SG 2.94Å; C279-K283 WeakPolarHBondContact O-CB 3.31Å; C279-K283 PolarHBondContact O-N 2.76Å
280	L	98.1	Very high	94.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-70.6	-36.8	175.2	-73.1	172.6	0	0	0	112	F184 F228 F237 F239 D254 I256 F276 W277 S278 K283 A284	F184-L280 HydrophobicContact CD2-CD1 3.98Å; F184-L280 HydrophobicContact CE2-CD1 3.97Å; F228-L280 HydrophobicContact CZ-CD1 3.85Å; F237-L280 HydrophobicContact CB-CD1 4.41Å; F237-L280 HydrophobicContact CD1-CD1 3.93Å; F237-L280 HydrophobicContact CD2-CD1 4Å; F237-L280 HydrophobicContact CE1-CD1 4.26Å; F237-L280 HydrophobicContact CE2-CD1 4.35Å; F237-L280 HydrophobicContact CG-CD1 3.81Å; F237-L280 HydrophobicContact CZ-CD1 4.47Å; F239-L280 HydrophobicContact CE2-CB 3.83Å; F239-L280 WeakPolarHBondContact CE2-O 3.46Å; F239-L280 HydrophobicContact CZ-CB 3.56Å; D254-L280 HydrophobicContact CB-CD2 4.15Å; I256-L280 HydrophobicContact CD1-CD2 3.57Å; I256-L280 HydrophobicContact CD1-CG 4.08Å; F276-L280 HydrophobicContact CB-CD1 4.49Å; F276-L280 WeakPolarHBondContact O-CB 3.29Å; F276-L280 WeakPolarHBondContact O-CD1 3.3Å; F276-L280 VanDerWaalsContact O-CG 3.26Å; F276-L280 WeakPolarHBondContact O-CG 3.38Å; F276-L280 PolarHBondContact O-N 3.31Å; W277-L280 PolarHBondContact O-N 3.31Å; S278-L280 PolarHBondContact O-N 3.01Å; L280-K283 WeakPolarHBondContact O-CB 3.37Å; L280-K283 PolarHBondContact O-N 3.27Å; L280-A284 PolarHBondContact O-N 3.16Å
281	L	97.8	Very high	94.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-66.7	-43.2	174.6	179.6	63.7	0	0	0	111.1	M208 I221 F239 F241 W277 S278 K283 A284 Y285 F307	M208-L281 HydrophobicContact CE-CB 4.2Å; M208-L281 HydrophobicContact CE-CD2 3.81Å; M208-L281 HydrophobicContact CE-CG 3.92Å; M208-L281 HydrophobicContact CG-CD2 3.82Å; M208-L281 HydrophobicContact SD-CD2 3.93Å; I221-L281 HydrophobicContact CG2-CD1 3.75Å; I221-L281 HydrophobicContact CG2-CD2 4.37Å; F239-L281 HydrophobicContact CB-CD1 4.01Å; F239-L281 HydrophobicContact CD1-CB 4.06Å; F239-L281 HydrophobicContact CD1-CD1 3.35Å; F239-L281 HydrophobicContact CD1-CG 4.28Å; F239-L281 HydrophobicContact CE1-CB 3.77Å; F239-L281 HydrophobicContact CE1-CD1 3.98Å; F239-L281 HydrophobicContact CE1-CG 4.45Å; F239-L281 HydrophobicContact CG-CD1 3.82Å; F239-L281 HydrophobicContact CZ-CB 4.24Å; F241-L281 HydrophobicContact CE1-CD1 3.82Å; F241-L281 HydrophobicContact CZ-CD1 3.53Å; F241-L281 HydrophobicContact CZ-CG 4.44Å; W277-L281 HydrophobicContact CE3-CD2 4.14Å; W277-L281 HydrophobicContact CZ3-CD2 3.78Å; W277-L281 VanDerWaalsContact O-CB 3.29Å; W277-L281 WeakPolarHBondContact O-CB 3.47Å; W277-L281 PolarHBondContact O-N 2.86Å; S278-L281 PolarHBondContact O-N 2.71Å; L281-K283 VanDerWaalsContact C-N 3.34Å; L281-A284 PolarHBondContact O-N 3.12Å; L281-Y285 PolarHBondContact O-N 3.17Å; L281-F307 HydrophobicContact CD1-CE1 4.21Å; L281-F307 HydrophobicContact CD2-CE1 3.91Å; L281-F307 HydrophobicContact CD2-CZ 4.27Å; L281-F307 HydrophobicContact CG-CE1 4.25Å
282	E	97.8	Very high	94.8	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-57.7	-46.7	171	-174.3	-169	-155	0	0	111	F204 M208 F267 I268 S278 A284 Y285 A286 Y292 L295	F204-E282 HydrophobicContact CE1-CB 4.02Å; F204-E282 HydrophobicContact CE1-CG 3.99Å; M208-E282 HydrophobicContact CE-CB 4.4Å; F267-E282 WeakPolarHBondContact CB-OE1 3.4Å; F267-E282 WeakPolarHBondContact CB-OE2 3.44Å; I268-E282 HydrophobicContact CB-CB 4.26Å; I268-E282 HydrophobicContact CB-CG 4.4Å; I268-E282 WeakPolarHBondContact CB-OE2 3.25Å; I268-E282 HydrophobicContact CD1-CB 4.14Å; I268-E282 HydrophobicContact CD1-CG 3.99Å; I268-E282 HydrophobicContact CG1-CG 4.31Å; I268-E282 PolarHBondContact N-OE2 3.39Å; S278-E282 PolarHBondContact O-N 3.34Å; E282-A284 VanDerWaalsContact C-N 3.33Å; E282-A284 PolarHBondContact O-N 2.94Å; E282-Y285 PolarHBondContact O-N 2.9Å; E282-Y285 VanDerWaalsContact O-N 3.16Å; E282-A286 WeakPolarHBondContact O-CB 3.46Å; E282-A286 PolarHBondContact O-N 2.8Å; E282-Y292 HydrophobicContact CG-CE1 4.02Å; E282-L295 HydrophobicContact CG-CD1 4.18Å
283	K	98	Very high	94.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-57.1	-45	175.8	-173.4	-179.2	176	176.8	0	112.4	F153 V252 D253 R255 C279 L280 L281 Y285 A286 K287 Y292	F153-K283 HydrophobicContact CD1-CG 4.17Å; F153-K283 HydrophobicContact CE1-CG 3.92Å; V252-K283 HydrophobicContact CB-CD 4.29Å; V252-K283 HydrophobicContact CG1-CG 4.37Å; V252-K283 HydrophobicContact CG2-CD 4.46Å; D253-K283 WeakPolarHBondContact O-CE 3.45Å; D253-K283 PolarHBondContact O-NZ 3.43Å; D253-K283 IonicContact OD1-NZ 3.83Å; D253-K283 PolarHBondContact OD1-NZ 3.46Å; D253-K283 IonicContact OD2-NZ 3.04Å; R255-K283 PolarHBondContact O-NZ 3.04Å; C279-K283 WeakPolarHBondContact O-CB 3.31Å; C279-K283 PolarHBondContact O-N 2.76Å; L280-K283 WeakPolarHBondContact O-CB 3.37Å; L280-K283 PolarHBondContact O-N 3.27Å; L281-K283 VanDerWaalsContact C-N 3.34Å; K283-Y285 VanDerWaalsContact C-N 3.31Å; K283-Y285 PolarHBondContact O-N 3.25Å; K283-A286 WeakPolarHBondContact O-CB 3.07Å; K283-A286 PolarHBondContact O-N 2.99Å; K283-K287 PolarHBondContact O-N 2.9Å; K283-Y292 WeakPolarHBondContact CA-OH 3.49Å; K283-Y292 VanDerWaalsContact CB-OH 3.24Å; K283-Y292 WeakPolarHBondContact CB-OH 3.45Å; K283-Y292 HydrophobicContact CG-CE2 4.46Å
284	A	98.1	Very high	94.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.3	-38.8	178.4	0	0	0	0	0	111.7	F239 F241 V250 V252 L280 L281 E282 K287 L288	F239-A284 HydrophobicContact CB-CB 3.95Å; F239-A284 HydrophobicContact CD2-CB 3.37Å; F239-A284 HydrophobicContact CE2-CB 4.14Å; F239-A284 HydrophobicContact CG-CB 3.89Å; F241-A284 HydrophobicContact CE2-CB 3.92Å; F241-A284 HydrophobicContact CZ-CB 4.25Å; V250-A284 HydrophobicContact CB-CB 4.41Å; V250-A284 HydrophobicContact CG1-CB 4.01Å; V250-A284 WeakPolarHBondContact CG1-O 3.49Å; V252-A284 HydrophobicContact CG1-CB 4.04Å; V252-A284 HydrophobicContact CG2-CB 4.3Å; L280-A284 PolarHBondContact O-N 3.16Å; L281-A284 PolarHBondContact O-N 3.12Å; E282-A284 VanDerWaalsContact C-N 3.33Å; E282-A284 PolarHBondContact O-N 2.94Å; A284-K287 WeakPolarHBondContact O-CB 3.41Å; A284-K287 PolarHBondContact O-N 2.78Å; A284-L288 PolarHBondContact O-N 2.91Å
285	Y	96.5	Very high	94.6	Very high	1 Å²	1	11.1 Å²	11.1	0%	0.004	7%	0.065	C	C	.	.	H	α-helix	trans	-69.2	-38	174.6	-163.3	-110.7	0	0	0	112.4	W203 F204 F241 L281 E282 K283 K287 L288 C289 L295 D306	W203-Y285 AromaticContact CH2-CE1 3.76Å; W203-Y285 HydrophobicContact CH2-CE1 3.76Å; W203-Y285 HydrophobicContact CZ2-CE1 4.47Å; W203-Y285 HydrophobicContact CZ3-CE1 4.35Å; F204-Y285 AromaticContact CD2-CD1 3.43Å; F204-Y285 HydrophobicContact CD2-CD1 3.43Å; F204-Y285 VanDerWaalsContact CD2-CD1 3.43Å; F204-Y285 AromaticContact CD2-CE1 3.53Å; F204-Y285 HydrophobicContact CD2-CE1 3.53Å; F204-Y285 AromaticContact CD2-CG 3.98Å; F204-Y285 HydrophobicContact CD2-CG 3.98Å; F204-Y285 HydrophobicContact CE1-CD1 4.47Å; F204-Y285 AromaticContact CE2-CD1 3.25Å; F204-Y285 HydrophobicContact CE2-CD1 3.25Å; F204-Y285 AromaticContact CE2-CD2 3.89Å; F204-Y285 HydrophobicContact CE2-CD2 3.89Å; F204-Y285 AromaticContact CE2-CE1 3.78Å; F204-Y285 HydrophobicContact CE2-CE1 3.78Å; F204-Y285 HydrophobicContact CE2-CE2 4.35Å; F204-Y285 AromaticContact CE2-CG 3.32Å; F204-Y285 HydrophobicContact CE2-CG 3.32Å; F204-Y285 HydrophobicContact CG-CD1 4.13Å; F204-Y285 HydrophobicContact CG-CE1 4.3Å; F204-Y285 AromaticContact CZ-CD1 3.84Å; F204-Y285 HydrophobicContact CZ-CD1 3.84Å; F204-Y285 AromaticContact CZ-CG 3.8Å; F204-Y285 HydrophobicContact CZ-CG 3.8Å; F241-Y285 AromaticContact CD1-CD2 3.61Å; F241-Y285 HydrophobicContact CD1-CD2 3.61Å; F241-Y285 HydrophobicContact CD1-CE2 4.14Å; F241-Y285 HydrophobicContact CD2-CD2 4.5Å; F241-Y285 AromaticContact CE1-CD2 3.48Å; F241-Y285 HydrophobicContact CE1-CD2 3.48Å; F241-Y285 VanDerWaalsContact CE1-CD2 3.48Å; F241-Y285 HydrophobicContact CE1-CE2 4.37Å; F241-Y285 HydrophobicContact CE1-CG 4.12Å; F241-Y285 HydrophobicContact CE2-CD2 4.39Å; F241-Y285 HydrophobicContact CG-CD2 4.12Å; F241-Y285 AromaticContact CZ-CD2 3.89Å; F241-Y285 HydrophobicContact CZ-CD2 3.89Å; F241-Y285 HydrophobicContact CZ-CG 4.27Å; L281-Y285 PolarHBondContact O-N 3.17Å; E282-Y285 PolarHBondContact O-N 2.9Å; E282-Y285 VanDerWaalsContact O-N 3.16Å; K283-Y285 VanDerWaalsContact C-N 3.31Å; K283-Y285 PolarHBondContact O-N 3.25Å; Y285-K287 VanDerWaalsContact C-N 3.33Å; Y285-K287 PolarHBondContact O-N 2.85Å; Y285-L288 HydrophobicContact CD2-CD2 4.04Å; Y285-L288 HydrophobicContact CE2-CD2 4.16Å; Y285-L288 WeakPolarHBondContact O-CB 3Å; Y285-L288 PolarHBondContact O-N 3.33Å; Y285-C289 WeakPolarHBondContact O-CB 3.44Å; Y285-C289 PolarHBondContact O-N 3.44Å; Y285-C289 PolarHBondContact O-SG 3.27Å; Y285-L295 HydrophobicContact CD1-CD1 4.25Å; Y285-L295 HydrophobicContact CD1-CD2 3.48Å; Y285-L295 VanDerWaalsContact CD1-CD2 3.48Å; Y285-L295 HydrophobicContact CE1-CD2 3.76Å; Y285-D306 HydrophobicContact CE2-CB 3.86Å; Y285-D306 WeakPolarHBondContact CE2-OD2 3.39Å; Y285-D306 PolarHBondContact OH-OD2 3.32Å
286	A	95.2	Very high	94.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.6	-42.8	171.9	0	0	0	0	0	111.5	F153 E282 K283 C289 G290 S291 Y292 L295	F153-A286 HydrophobicContact CE1-CB 4.43Å; F153-A286 HydrophobicContact CZ-CB 3.78Å; E282-A286 WeakPolarHBondContact O-CB 3.46Å; E282-A286 PolarHBondContact O-N 2.8Å; K283-A286 WeakPolarHBondContact O-CB 3.07Å; K283-A286 PolarHBondContact O-N 2.99Å; A286-C289 CarbonylContact O-C 3.57Å; A286-C289 PolarHBondContact O-N 3Å; A286-G290 CarbonylContact O-C 3.59Å; A286-G290 PolarHBondContact O-N 2.9Å; A286-S291 PolarHBondContact O-N 3.08Å; A286-Y292 HydrophobicContact CB-CD1 3.96Å; A286-Y292 HydrophobicContact CB-CD2 4.04Å; A286-Y292 HydrophobicContact CB-CE1 4.19Å; A286-Y292 HydrophobicContact CB-CE2 4.26Å; A286-Y292 HydrophobicContact CB-CG 3.9Å; A286-L295 HydrophobicContact CB-CD1 3.89Å; A286-L295 HydrophobicContact CB-CG 4.38Å
287	K	95.5	Very high	93.8	Very high	32 Å²	32	15.9 Å²	15.9	14%	0.139	10%	0.103	C	C	.	.	H	α-helix	trans	-58.7	-47.9	171.7	174.8	174.7	179	168.9	0	111.6	D150 E152 F153 V250 V251 V252 K283 A284 Y285 C289 G290	D150-K287 VanDerWaalsContact CG-NZ 3.33Å; D150-K287 IonicContact OD1-NZ 2.69Å; D150-K287 PolarHBondContact OD1-NZ 3.05Å; D150-K287 VanDerWaalsContact OD1-NZ 3.1Å; D150-K287 WeakPolarHBondContact OD2-CD 3.32Å; D150-K287 IonicContact OD2-NZ 3.66Å; D150-K287 PolarHBondContact OD2-NZ 2.74Å; E152-K287 VanDerWaalsContact OE2-CE 3.27Å; E152-K287 WeakPolarHBondContact OE2-CE 3.46Å; E152-K287 IonicContact OE2-NZ 3.04Å; E152-K287 PolarHBondContact OE2-NZ 3.49Å; F153-K287 HydrophobicContact CB-CB 4.07Å; F153-K287 HydrophobicContact CB-CD 3.79Å; F153-K287 HydrophobicContact CB-CG 3.87Å; F153-K287 HydrophobicContact CD1-CB 4.19Å; F153-K287 VanDerWaalsContact CD2-CA 3.49Å; F153-K287 HydrophobicContact CD2-CB 3.67Å; F153-K287 HydrophobicContact CD2-CG 4.03Å; F153-K287 VanDerWaalsContact CE2-CA 3.47Å; F153-K287 HydrophobicContact CE2-CB 4.08Å; F153-K287 HydrophobicContact CG-CB 3.72Å; F153-K287 HydrophobicContact CG-CD 4.4Å; F153-K287 HydrophobicContact CG-CG 4.05Å; F153-K287 HydrophobicContact CZ-CB 4.49Å; V250-K287 HydrophobicContact CG1-CB 4.34Å; V250-K287 HydrophobicContact CG1-CD 3.9Å; V250-K287 HydrophobicContact CG1-CG 4.2Å; V251-K287 PolarHBondContact O-NZ 3.09Å; V252-K287 HydrophobicContact CG1-CB 4.21Å; V252-K287 HydrophobicContact CG1-CD 3.8Å; K283-K287 PolarHBondContact O-N 2.9Å; A284-K287 WeakPolarHBondContact O-CB 3.41Å; A284-K287 PolarHBondContact O-N 2.78Å; Y285-K287 VanDerWaalsContact C-N 3.33Å; Y285-K287 PolarHBondContact O-N 2.85Å; K287-C289 PolarHBondContact O-N 3.1Å; K287-G290 PolarHBondContact O-N 2.64Å; K287-G290 VanDerWaalsContact O-N 3.07Å
288	L	92.4	Very high	93.4	Very high	33 Å²	33	17.3 Å²	17.3	17%	0.173	12%	0.118	C	C	.	.	H	α-helix	trans	-59.8	-35.7	178.7	-174.4	66.3	0	0	0	112.6	F241 R243 V248 V250 A284 Y285	F241-L288 HydrophobicContact CB-CD2 3.64Å; F241-L288 HydrophobicContact CD2-CD2 3.76Å; F241-L288 HydrophobicContact CG-CD2 3.76Å; R243-L288 HydrophobicContact CG-CD1 4.47Å; R243-L288 HydrophobicContact CG-CD2 4.31Å; V248-L288 HydrophobicContact CG1-CD1 4.49Å; V250-L288 HydrophobicContact CG2-CB 4.4Å; V250-L288 HydrophobicContact CG2-CD1 4.04Å; A284-L288 PolarHBondContact O-N 2.91Å; Y285-L288 HydrophobicContact CD2-CD2 4.04Å; Y285-L288 HydrophobicContact CE2-CD2 4.16Å; Y285-L288 WeakPolarHBondContact O-CB 3Å; Y285-L288 PolarHBondContact O-N 3.33Å
289	C	89.4	Confident	93.1	Very high	7 Å²	7	21.4 Å²	21.4	5%	0.047	14%	0.136	C	C	.	.	H	α-helix	trans	-89.7	-4.7	177.8	-66.9	0	0	0	0	113.6	Y285 A286 K287 H294 L295	Y285-C289 WeakPolarHBondContact O-CB 3.44Å; Y285-C289 PolarHBondContact O-N 3.44Å; Y285-C289 PolarHBondContact O-SG 3.27Å; A286-C289 CarbonylContact O-C 3.57Å; A286-C289 PolarHBondContact O-N 3Å; K287-C289 PolarHBondContact O-N 3.1Å; C289-H294 HydrophobicContact CB-CB 4.27Å; C289-H294 PolarHBondContact O-ND1 3.37Å; C289-L295 HydrophobicContact CB-CD2 3.8Å
290	G	89.5	Confident	92.9	Very high	31 Å²	31	21.2 Å²	21.2	32%	0.32	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	-26	177	0	0	0	0	0	116.3	A286 K287	A286-G290 CarbonylContact O-C 3.59Å; A286-G290 PolarHBondContact O-N 2.9Å; K287-G290 PolarHBondContact O-N 2.64Å; K287-G290 VanDerWaalsContact O-N 3.07Å
291	S	92.5	Very high	92.6	Very high	6 Å²	6	21.8 Å²	21.8	4%	0.042	14%	0.139	C	C	.	.	S	Bend	trans	-166.3	164.6	173.5	67.4	0	0	0	0	111.7	S159 A286 A293 H294	S159-S291 WeakPolarHBondContact O-CA 3.39Å; S159-S291 WeakPolarHBondContact O-CB 3.43Å; A286-S291 PolarHBondContact O-N 3.08Å; S291-A293 VanDerWaalsContact C-N 3.26Å; S291-A293 PolarHBondContact O-N 3.02Å; S291-A293 PolarHBondContact OG-N 3.2Å; S291-H294 PolarHBondContact O-N 2.97Å; S291-H294 PolarHBondContact OG-N 3.27Å; S291-H294 PolarHBondContact OG-ND1 2.79Å
292	Y	94.9	Very high	92.3	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	14%	0.14	C	C	.	.	S	Bend	trans	-60	-38.4	169.2	-79.1	-87.2	0	0	0	111.5	F153 S159 I160 W172 L199 P257 F267 E282 K283 A286 H294 L295	F153-Y292 HydrophobicContact CE1-CD2 4.27Å; F153-Y292 AromaticContact CE1-CE2 3.91Å; F153-Y292 HydrophobicContact CE1-CE2 3.91Å; F153-Y292 HydrophobicContact CZ-CD2 4.06Å; F153-Y292 HydrophobicContact CZ-CE2 4.15Å; S159-Y292 WeakPolarHBondContact O-CD2 3.48Å; S159-Y292 PolarHBondContact O-N 3.33Å; I160-Y292 HydrophobicContact CD1-CD2 4.08Å; W172-Y292 AromaticContact CH2-CE2 3.97Å; W172-Y292 HydrophobicContact CH2-CE2 3.97Å; L199-Y292 HydrophobicContact CD2-CD1 4.08Å; P257-Y292 HydrophobicContact CG-CE2 3.9Å; F267-Y292 HydrophobicContact CB-CE1 4.32Å; F267-Y292 AromaticContact CD2-CD1 3.38Å; F267-Y292 HydrophobicContact CD2-CD1 3.38Å; F267-Y292 HydrophobicContact CD2-CD2 4.41Å; F267-Y292 AromaticContact CD2-CE1 3.29Å; F267-Y292 HydrophobicContact CD2-CE1 3.29Å; F267-Y292 HydrophobicContact CD2-CE2 4.34Å; F267-Y292 AromaticContact CD2-CG 3.95Å; F267-Y292 HydrophobicContact CD2-CG 3.95Å; F267-Y292 AromaticContact CD2-CZ 3.8Å; F267-Y292 AromaticContact CE2-CD1 3.46Å; F267-Y292 HydrophobicContact CE2-CD1 3.46Å; F267-Y292 VanDerWaalsContact CE2-CD1 3.46Å; F267-Y292 AromaticContact CE2-CD2 3.87Å; F267-Y292 HydrophobicContact CE2-CD2 3.87Å; F267-Y292 AromaticContact CE2-CE1 3.74Å; F267-Y292 HydrophobicContact CE2-CE1 3.74Å; F267-Y292 HydrophobicContact CE2-CE2 4.13Å; F267-Y292 AromaticContact CE2-CG 3.51Å; F267-Y292 HydrophobicContact CE2-CG 3.51Å; F267-Y292 AromaticContact CG-CD1 3.98Å; F267-Y292 HydrophobicContact CG-CD1 3.98Å; F267-Y292 HydrophobicContact CG-CE1 4.02Å; F267-Y292 HydrophobicContact CZ-CD1 4.11Å; F267-Y292 HydrophobicContact CZ-CG 4.01Å; E282-Y292 HydrophobicContact CG-CE1 4.02Å; K283-Y292 WeakPolarHBondContact CA-OH 3.49Å; K283-Y292 VanDerWaalsContact CB-OH 3.24Å; K283-Y292 WeakPolarHBondContact CB-OH 3.45Å; K283-Y292 HydrophobicContact CG-CE2 4.46Å; A286-Y292 HydrophobicContact CB-CD1 3.96Å; A286-Y292 HydrophobicContact CB-CD2 4.04Å; A286-Y292 HydrophobicContact CB-CE1 4.19Å; A286-Y292 HydrophobicContact CB-CE2 4.26Å; A286-Y292 HydrophobicContact CB-CG 3.9Å; Y292-H294 PolarHBondContact O-N 2.83Å; Y292-L295 WeakPolarHBondContact O-CB 3.13Å; Y292-L295 PolarHBondContact O-N 3.37Å
293	A	91.1	Very high	92.1	Very high	17 Å²	17	22 Å²	22	14%	0.14	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-54.4	-37.6	177.9	0	0	0	0	0	112.8	I160 L163 S291 L295 T296	I160-A293 WeakPolarHBondContact O-CB 3.33Å; I160-A293 PolarHBondContact O-N 3.29Å; L163-A293 HydrophobicContact CD1-CB 4.26Å; L163-A293 HydrophobicContact CD2-CB 4.2Å; L163-A293 HydrophobicContact CG-CB 3.79Å; S291-A293 VanDerWaalsContact C-N 3.26Å; S291-A293 PolarHBondContact O-N 3.02Å; S291-A293 PolarHBondContact OG-N 3.2Å; A293-L295 PolarHBondContact O-N 2.89Å; A293-T296 VanDerWaalsContact O-CB 3.31Å; A293-T296 WeakPolarHBondContact O-CB 3.28Å; A293-T296 PolarHBondContact O-N 2.96Å; A293-T296 VanDerWaalsContact O-N 3.09Å; A293-T296 PolarHBondContact O-OG1 3.42Å; A293-T296 VanDerWaalsContact O-OG1 3.05Å
294	H	88.6	Confident	92	Very high	86 Å²	86	22.1 Å²	22.1	40%	0.398	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-69.4	-10	179	-66.5	148.6	0	0	0	114.7	C289 S291 Y292 T296	C289-H294 HydrophobicContact CB-CB 4.27Å; C289-H294 PolarHBondContact O-ND1 3.37Å; S291-H294 PolarHBondContact O-N 2.97Å; S291-H294 PolarHBondContact OG-N 3.27Å; S291-H294 PolarHBondContact OG-ND1 2.79Å; Y292-H294 PolarHBondContact O-N 2.83Å; H294-T296 VanDerWaalsContact C-N 3.32Å
295	L	91.4	Very high	91.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-85.5	-7.2	172.5	-50.4	-173.5	0	0	0	112.5	L199 D201 W203 E282 Y285 A286 C289 Y292 A293 G297	L199-L295 HydrophobicContact CD2-CB 3.88Å; L199-L295 HydrophobicContact CD2-CD1 4.24Å; L199-L295 HydrophobicContact CD2-CG 4.5Å; D201-L295 HydrophobicContact CB-CB 4.01Å; D201-L295 WeakPolarHBondContact CB-O 3.36Å; W203-L295 PolarHBondContact NE1-O 3.45Å; E282-L295 HydrophobicContact CG-CD1 4.18Å; Y285-L295 HydrophobicContact CD1-CD1 4.25Å; Y285-L295 HydrophobicContact CD1-CD2 3.48Å; Y285-L295 VanDerWaalsContact CD1-CD2 3.48Å; Y285-L295 HydrophobicContact CE1-CD2 3.76Å; A286-L295 HydrophobicContact CB-CD1 3.89Å; A286-L295 HydrophobicContact CB-CG 4.38Å; C289-L295 HydrophobicContact CB-CD2 3.8Å; Y292-L295 WeakPolarHBondContact O-CB 3.13Å; Y292-L295 PolarHBondContact O-N 3.37Å; A293-L295 PolarHBondContact O-N 2.89Å; L295-G297 PolarHBondContact O-N 3Å; L295-G297 VanDerWaalsContact O-N 3.16Å
296	T	89.4	Confident	91.7	Very high	72 Å²	72	22.3 Å²	22.3	44%	0.442	14%	0.141	S	C	.	.	S	Bend	trans	-71.4	109.9	178.7	-53.9	0	0	0	0	110.4	L199 A293 H294	L199-T296 VanDerWaalsContact CD1-OG1 3.29Å; L199-T296 WeakPolarHBondContact CD1-OG1 3.4Å; A293-T296 VanDerWaalsContact O-CB 3.31Å; A293-T296 WeakPolarHBondContact O-CB 3.28Å; A293-T296 PolarHBondContact O-N 2.96Å; A293-T296 VanDerWaalsContact O-N 3.09Å; A293-T296 PolarHBondContact O-OG1 3.42Å; A293-T296 VanDerWaalsContact O-OG1 3.05Å; H294-T296 VanDerWaalsContact C-N 3.32Å
297	G	86	Confident	91.7	Very high	41 Å²	41	22.3 Å²	22.3	42%	0.423	14%	0.141	S	C	.	.	S	Bend	trans	77.2	136.3	-178	0	0	0	0	0	113.1	G200 L295	G200-G297 PolarHBondContact O-N 3.11Å; L295-G297 PolarHBondContact O-N 3Å; L295-G297 VanDerWaalsContact O-N 3.16Å
298	G	86.7	Confident	91.6	Very high	30 Å²	30	20.8 Å²	20.8	31%	0.309	14%	0.135	S	C	.	.			trans	173.3	174.7	-178.9	0	0	0	0	0	110.9	W203	W203-G298 WeakPolarHBondContact CB-O 3.46Å
299	F	88.9	Confident	91.6	Very high	86 Å²	86	19.2 Å²	19.2	38%	0.377	13%	0.127	S	C	.	.			trans	-100.4	143.9	175.9	-63	-80.6	0	0	0	110.2	S301 E302	F299-S301 VanDerWaalsContact CB-OG 3.32Å; F299-S301 WeakPolarHBondContact CB-OG 3.45Å; F299-S301 PolarHBondContact O-N 3.37Å; F299-E302 HydrophobicContact CB-CG 4.37Å; F299-E302 PolarHBondContact O-N 2.91Å; F299-E302 VanDerWaalsContact O-N 3.17Å
300	Q	93	Very high	91.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-33.3	178.5	-53.4	-175	50.7	0	0	110.4	W203 V207 E302 A303 M304 G341 A342 D343 A362 Y363 E440	W203-Q300 HydrophobicContact CB-CG 4.25Å; V207-Q300 HydrophobicContact CG2-CB 3.8Å; V207-Q300 HydrophobicContact CG2-CG 4.47Å; Q300-E302 PolarHBondContact O-N 3.08Å; Q300-A303 PolarHBondContact O-N 2.9Å; Q300-A303 VanDerWaalsContact O-N 3.09Å; Q300-M304 HydrophobicContact CB-CE 3.91Å; Q300-M304 WeakPolarHBondContact O-CB 3.4Å; Q300-M304 VanDerWaalsContact O-CG 3.25Å; Q300-M304 WeakPolarHBondContact O-CG 3.38Å; Q300-M304 PolarHBondContact O-N 2.72Å; Q300-G341 VanDerWaalsContact OE1-CA 3.28Å; Q300-A342 PolarHBondContact NE2-O 3.24Å; Q300-D343 PolarHBondContact NE2-OD1 3.31Å; Q300-A362 HydrophobicContact CG-CB 3.82Å; Q300-A362 VanDerWaalsContact NE2-CB 3.33Å; Q300-Y363 PolarHBondContact NE2-O 2.93Å; Q300-E440 VanDerWaalsContact CA-OE2 3.28Å; Q300-E440 WeakPolarHBondContact CA-OE2 3.39Å; Q300-E440 WeakPolarHBondContact CB-OE2 3.45Å; Q300-E440 PolarHBondContact N-OE2 3.34Å
301	S	92.7	Very high	92	Very high	13 Å²	13	17.4 Å²	17.4	9%	0.091	11%	0.109	C	C	.	.	H	α-helix	trans	-48.6	-43.4	173.7	42.7	0	0	0	0	113.5	F299 M304 E305 C312 E440	F299-S301 VanDerWaalsContact CB-OG 3.32Å; F299-S301 WeakPolarHBondContact CB-OG 3.45Å; F299-S301 PolarHBondContact O-N 3.37Å; S301-M304 PolarHBondContact O-N 3.45Å; S301-E305 WeakPolarHBondContact O-CG 3.39Å; S301-E305 PolarHBondContact O-N 3.33Å; S301-C312 VanDerWaalsContact CA-SG 3.53Å; S301-C312 VanDerWaalsContact CB-CB 3.45Å; S301-C312 PolarHBondContact O-SG 3.16Å; S301-E440 VanDerWaalsContact CB-OE1 3.25Å; S301-E440 WeakPolarHBondContact CB-OE1 3.48Å; S301-E440 PolarHBondContact N-OE2 3.46Å; S301-E440 PolarHBondContact OG-OE1 3.28Å
302	E	90.8	Very high	92.2	Very high	7 Å²	7	17.3 Å²	17.3	3%	0.033	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-44.5	179.1	-61.7	-172.8	-124.7	0	0	112.1	W203 F299 Q300 D306 R519	W203-E302 HydrophobicContact CZ3-CB 4.03Å; F299-E302 HydrophobicContact CB-CG 4.37Å; F299-E302 PolarHBondContact O-N 2.91Å; F299-E302 VanDerWaalsContact O-N 3.17Å; Q300-E302 PolarHBondContact O-N 3.08Å; E302-D306 WeakPolarHBondContact O-CB 3.33Å; E302-D306 PolarHBondContact O-N 3.31Å; E302-R519 IonicContact OE1-CZ 3.48Å; E302-R519 IonicContact OE1-NH1 3.23Å; E302-R519 PolarHBondContact OE1-NH1 3.26Å; E302-R519 IonicContact OE1-NH2 3.56Å; E302-R519 PolarHBondContact OE1-NH2 3.2Å; E302-R519 IonicContact OE2-CZ 2.76Å; E302-R519 IonicContact OE2-NE 3.5Å; E302-R519 IonicContact OE2-NH1 3.33Å; E302-R519 PolarHBondContact OE2-NH1 3.48Å; E302-R519 IonicContact OE2-NH2 3.24Å; E302-R519 PolarHBondContact OE2-NH2 3.32Å
303	A	94	Very high	92.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68	-38.7	176.3	0	0	0	0	0	110.9	W203 F204 V207 Q300 D306 F307	W203-A303 HydrophobicContact CE3-CB 3.66Å; W203-A303 HydrophobicContact CZ3-CB 3.65Å; F204-A303 HydrophobicContact CB-CB 4.49Å; F204-A303 HydrophobicContact CD2-CB 4.28Å; V207-A303 HydrophobicContact CB-CB 3.89Å; V207-A303 HydrophobicContact CG1-CB 4.14Å; V207-A303 HydrophobicContact CG2-CB 3.93Å; Q300-A303 PolarHBondContact O-N 2.9Å; Q300-A303 VanDerWaalsContact O-N 3.09Å; A303-D306 PolarHBondContact O-N 3.29Å; A303-F307 HydrophobicContact CB-CD2 4.28Å; A303-F307 HydrophobicContact CB-CE2 4.45Å; A303-F307 WeakPolarHBondContact O-CB 3.33Å; A303-F307 WeakPolarHBondContact O-CD2 3.47Å; A303-F307 PolarHBondContact O-N 3.05Å
304	M	95.3	Very high	92.2	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-46.1	178	-71.9	-179.9	-173.9	0	0	110.9	V207 Q300 S301 F307 T308 V339 C442	V207-M304 HydrophobicContact CB-CG 4.34Å; V207-M304 HydrophobicContact CG1-CB 4.3Å; V207-M304 HydrophobicContact CG1-CG 3.72Å; V207-M304 HydrophobicContact CG2-CE 4.03Å; V207-M304 HydrophobicContact CG2-CG 3.59Å; Q300-M304 HydrophobicContact CB-CE 3.91Å; Q300-M304 WeakPolarHBondContact O-CB 3.4Å; Q300-M304 VanDerWaalsContact O-CG 3.25Å; Q300-M304 WeakPolarHBondContact O-CG 3.38Å; Q300-M304 PolarHBondContact O-N 2.72Å; S301-M304 PolarHBondContact O-N 3.45Å; M304-F307 PolarHBondContact O-N 3.47Å; M304-T308 WeakPolarHBondContact O-CB 3.02Å; M304-T308 WeakPolarHBondContact O-CG2 3.25Å; M304-T308 PolarHBondContact O-N 3.28Å; M304-T308 PolarHBondContact O-OG1 2.93Å; M304-V339 HydrophobicContact CB-CG2 4.34Å; M304-V339 HydrophobicContact CE-CG2 4.38Å; M304-V339 HydrophobicContact CG-CG2 3.86Å; M304-V339 HydrophobicContact SD-CG2 3.8Å; M304-C442 HydrophobicContact CB-CB 3.62Å; M304-C442 HydrophobicContact CG-CB 4.09Å; M304-C442 HydrophobicContact SD-CB 3.58Å; M304-C442 VanDerWaalsContact SD-CB 3.58Å
305	E	94.4	Very high	92.4	Very high	6 Å²	6	15.5 Å²	15.5	3%	0.028	10%	0.101	C	C	.	.	H	α-helix	trans	-59.1	-47.3	173.1	-76.7	153	-153.3	0	0	111.4	S301 F307 T308 G309 C312 M514 R564 E565	S301-E305 WeakPolarHBondContact O-CG 3.39Å; S301-E305 PolarHBondContact O-N 3.33Å; E305-F307 VanDerWaalsContact C-N 3.34Å; E305-F307 PolarHBondContact O-N 2.71Å; E305-T308 PolarHBondContact O-N 2.95Å; E305-G309 WeakPolarHBondContact O-CA 3.34Å; E305-G309 PolarHBondContact O-N 3.35Å; E305-C312 WeakPolarHBondContact OE1-CB 3Å; E305-M514 HydrophobicContact CB-CE 4.32Å; E305-M514 HydrophobicContact CG-CE 4.01Å; E305-M514 WeakPolarHBondContact OE2-CE 3.26Å; E305-R564 IonicContact OE2-CZ 3.39Å; E305-R564 IonicContact OE2-NE 3.33Å; E305-E565 VanDerWaalsContact CD-OE2 3.27Å; E305-E565 VanDerWaalsContact OE1-OE2 3.12Å
306	D	94.3	Very high	92.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-68.6	-31	-177	-69.3	-24.7	0	0	0	113.3	F241 W242 R243 Y285 E302 A303 R564	F241-D306 CarbonylContact C-O 3.53Å; F241-D306 WeakPolarHBondContact CA-O 3.36Å; W242-D306 PolarHBondContact N-O 3.31Å; W242-D306 WeakPolarHBondContact O-CA 3.38Å; R243-D306 WeakPolarHBondContact CD-OD1 3.4Å; R243-D306 IonicContact CZ-OD1 2.94Å; R243-D306 IonicContact NH1-OD1 3.57Å; R243-D306 PolarHBondContact NH1-OD1 2.88Å; R243-D306 IonicContact NH1-OD2 3.96Å; R243-D306 PolarHBondContact NH1-OD2 3.38Å; Y285-D306 HydrophobicContact CE2-CB 3.86Å; Y285-D306 WeakPolarHBondContact CE2-OD2 3.39Å; Y285-D306 PolarHBondContact OH-OD2 3.32Å; E302-D306 WeakPolarHBondContact O-CB 3.33Å; E302-D306 PolarHBondContact O-N 3.31Å; A303-D306 PolarHBondContact O-N 3.29Å; D306-R564 VanDerWaalsContact CG-NH1 3.34Å; D306-R564 IonicContact OD1-CZ 3.58Å; D306-R564 VanDerWaalsContact OD1-CZ 3.3Å; D306-R564 IonicContact OD1-NH1 3.49Å; D306-R564 PolarHBondContact OD1-NH1 3.39Å; D306-R564 IonicContact OD1-NH2 3.8Å; D306-R564 PolarHBondContact OD1-NH2 3.04Å; D306-R564 IonicContact OD2-NH1 3.76Å; D306-R564 PolarHBondContact OD2-NH1 2.71Å
307	F	95	Very high	92.7	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-84.4	-23	176.3	-81.4	-61.2	0	0	0	113.6	F204 V207 M208 V211 L217 I221 F241 W247 L281 A303 M304 E305	F204-F307 AromaticContact CD2-CE2 3.55Å; F204-F307 HydrophobicContact CD2-CE2 3.55Å; F204-F307 AromaticContact CD2-CZ 3.92Å; F204-F307 HydrophobicContact CD2-CZ 3.92Å; F204-F307 HydrophobicContact CE2-CD2 4.5Å; F204-F307 HydrophobicContact CE2-CE1 4.29Å; F204-F307 AromaticContact CE2-CE2 3.3Å; F204-F307 HydrophobicContact CE2-CE2 3.3Å; F204-F307 AromaticContact CE2-CZ 3.17Å; F204-F307 HydrophobicContact CE2-CZ 3.17Å; F204-F307 HydrophobicContact CZ-CE2 4.13Å; F204-F307 AromaticContact CZ-CZ 3.63Å; F204-F307 HydrophobicContact CZ-CZ 3.63Å; V207-F307 HydrophobicContact CB-CD2 4.28Å; V207-F307 HydrophobicContact CG1-CB 4.44Å; V207-F307 HydrophobicContact CG1-CD2 3.61Å; V207-F307 HydrophobicContact CG1-CE2 4.34Å; V207-F307 HydrophobicContact CG1-CG 4.42Å; M208-F307 HydrophobicContact CB-CE2 4.07Å; M208-F307 HydrophobicContact CB-CZ 3.92Å; M208-F307 HydrophobicContact CE-CZ 4.39Å; M208-F307 HydrophobicContact CG-CZ 4.2Å; V211-F307 HydrophobicContact CG1-CB 4.03Å; V211-F307 HydrophobicContact CG2-CD1 4.37Å; V211-F307 HydrophobicContact CG2-CG 4.35Å; L217-F307 WeakPolarHBondContact CD1-O 3.42Å; I221-F307 HydrophobicContact CD1-CB 4.24Å; I221-F307 HydrophobicContact CD1-CD1 3.71Å; I221-F307 HydrophobicContact CD1-CG 4.41Å; I221-F307 WeakPolarHBondContact CD1-O 3.36Å; I221-F307 HydrophobicContact CG1-CD1 4.13Å; I221-F307 HydrophobicContact CG2-CD1 4.09Å; I221-F307 HydrophobicContact CG2-CE1 4.14Å; F241-F307 HydrophobicContact CD1-CD1 4.39Å; F241-F307 HydrophobicContact CD1-CE1 4.28Å; F241-F307 HydrophobicContact CE1-CD1 4.29Å; F241-F307 AromaticContact CE1-CE1 3.75Å; F241-F307 HydrophobicContact CE1-CE1 3.75Å; F241-F307 HydrophobicContact CE1-CZ 4.26Å; W247-F307 WeakPolarHBondContact CH2-O 3.43Å; L281-F307 HydrophobicContact CD1-CE1 4.21Å; L281-F307 HydrophobicContact CD2-CE1 3.91Å; L281-F307 HydrophobicContact CD2-CZ 4.27Å; L281-F307 HydrophobicContact CG-CE1 4.25Å; A303-F307 HydrophobicContact CB-CD2 4.28Å; A303-F307 HydrophobicContact CB-CE2 4.45Å; A303-F307 WeakPolarHBondContact O-CB 3.33Å; A303-F307 WeakPolarHBondContact O-CD2 3.47Å; A303-F307 PolarHBondContact O-N 3.05Å; M304-F307 PolarHBondContact O-N 3.47Å; E305-F307 VanDerWaalsContact C-N 3.34Å; E305-F307 PolarHBondContact O-N 2.71Å
308	T	93.2	Very high	92.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-123.2	-20.2	-166	75.4	0	0	0	0	114	V211 L217 M304 E305 G310 C442 F444 S448	V211-T308 HydrophobicContact CG1-CG2 4.01Å; L217-T308 HydrophobicContact CD2-CG2 3.58Å; M304-T308 WeakPolarHBondContact O-CB 3.02Å; M304-T308 WeakPolarHBondContact O-CG2 3.25Å; M304-T308 PolarHBondContact O-N 3.28Å; M304-T308 PolarHBondContact O-OG1 2.93Å; E305-T308 PolarHBondContact O-N 2.95Å; T308-G310 PolarHBondContact O-N 3.15Å; T308-G310 VanDerWaalsContact O-N 3.13Å; T308-G310 PolarHBondContact OG1-N 3.14Å; T308-C442 PolarHBondContact OG1-SG 3.3Å; T308-F444 HydrophobicContact CG2-CD1 4.36Å; T308-F444 HydrophobicContact CG2-CE1 3.42Å; T308-F444 VanDerWaalsContact CG2-CE1 3.42Å; T308-F444 HydrophobicContact CG2-CZ 3.78Å; T308-S448 WeakPolarHBondContact O-CA 3.22Å; T308-S448 WeakPolarHBondContact O-CB 3.38Å; T308-S448 PolarHBondContact O-OG 2.86Å
309	G	92.3	Very high	92.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.			trans	60.1	12.3	-165.3	0	0	0	0	0	114.6	W242 E305 R595	W242-G309 VanDerWaalsContact CD2-CA 3.43Å; E305-G309 WeakPolarHBondContact O-CA 3.34Å; E305-G309 PolarHBondContact O-N 3.35Å; G309-R595 PolarHBondContact O-NH1 3.29Å
310	G	93.6	Very high	92.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.			trans	-73.8	-173.8	175.8	0	0	0	0	0	112.9	T308 H443 S448 R595	T308-G310 PolarHBondContact O-N 3.15Å; T308-G310 VanDerWaalsContact O-N 3.13Å; T308-G310 PolarHBondContact OG1-N 3.14Å; G310-H443 CarbonylContact C-O 3.46Å; G310-H443 WeakPolarHBondContact CA-O 3.32Å; G310-S448 PolarHBondContact N-OG 2.88Å; G310-R595 PolarHBondContact O-NH1 2.78Å; G310-R595 PolarHBondContact O-NH2 3.39Å; G310-R595 VanDerWaalsContact O-NH2 3.16Å
311	I	94.4	Very high	92.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.3	173.6	-170.8	166.4	0	0	0	109.3	C442 H443 I510 T567 F597	I311-C442 CarbonylContact O-C 3.49Å; I311-C442 WeakPolarHBondContact O-CA 3.47Å; I311-H443 HydrophobicContact CG2-CB 4.04Å; I311-H443 PolarHBondContact N-O 2.73Å; I311-H443 PolarHBondContact O-N 3.2Å; I311-I510 HydrophobicContact CD1-CB 4.39Å; I311-I510 HydrophobicContact CD1-CG2 3.79Å; I311-I510 HydrophobicContact CG1-CG2 4.12Å; I311-I510 HydrophobicContact CG2-CB 4.29Å; I311-I510 HydrophobicContact CG2-CD1 4.28Å; I311-I510 HydrophobicContact CG2-CG2 4.13Å; I311-T567 HydrophobicContact CD1-CG2 4.21Å; I311-T567 HydrophobicContact CG1-CG2 3.98Å; I311-F597 HydrophobicContact CB-CD1 4.4Å; I311-F597 HydrophobicContact CB-CD2 4.06Å; I311-F597 HydrophobicContact CB-CE1 4.24Å; I311-F597 HydrophobicContact CB-CE2 3.92Å; I311-F597 HydrophobicContact CB-CG 4.33Å; I311-F597 HydrophobicContact CB-CZ 4.03Å; I311-F597 HydrophobicContact CD1-CD2 4.23Å; I311-F597 HydrophobicContact CG2-CB 4.06Å; I311-F597 HydrophobicContact CG2-CD1 3.44Å; I311-F597 VanDerWaalsContact CG2-CD1 3.44Å; I311-F597 HydrophobicContact CG2-CD2 3.7Å; I311-F597 HydrophobicContact CG2-CE1 3.68Å; I311-F597 HydrophobicContact CG2-CE2 3.95Å; I311-F597 HydrophobicContact CG2-CG 3.47Å; I311-F597 VanDerWaalsContact CG2-CG 3.47Å; I311-F597 HydrophobicContact CG2-CZ 3.95Å
312	C	95.2	Very high	92.8	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.027	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	139.6	-176.8	-67.8	0	0	0	0	112.1	S301 E305 V441 C442 T567	S301-C312 VanDerWaalsContact CA-SG 3.53Å; S301-C312 VanDerWaalsContact CB-CB 3.45Å; S301-C312 PolarHBondContact O-SG 3.16Å; E305-C312 WeakPolarHBondContact OE1-CB 3Å; C312-V441 CarbonylContact C-O 3.59Å; C312-V441 VanDerWaalsContact CA-O 3.29Å; C312-V441 WeakPolarHBondContact CA-O 3.14Å; C312-C442 WeakPolarHBondContact SG-CB 3.43Å; C312-C442 PolarHBondContact SG-SG 2.92Å; C312-T567 WeakPolarHBondContact O-CG2 3.49Å; C312-T567 PolarHBondContact O-OG1 3Å
313	T	93.7	Very high	92.8	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.3	169.3	67	0	0	0	0	109.7	E440 V441 I510 E569	T313-E440 CarbonylContact O-C 3.47Å; T313-E440 VanDerWaalsContact O-CA 3.3Å; T313-E440 WeakPolarHBondContact O-CA 3.21Å; T313-V441 PolarHBondContact N-O 3.09Å; T313-V441 PolarHBondContact O-N 3.47Å; T313-I510 HydrophobicContact CG2-CD1 4.14Å; T313-I510 HydrophobicContact CG2-CG2 3.47Å; T313-I510 VanDerWaalsContact CG2-CG2 3.47Å; T313-E569 WeakPolarHBondContact CB-OE1 3.5Å; T313-E569 HydrophobicContact CG2-CG 3.76Å; T313-E569 WeakPolarHBondContact CG2-OE1 3.16Å; T313-E569 PolarHBondContact OG1-OE1 2.84Å
314	T	92.6	Very high	92.7	Very high	40 Å²	40	43.2 Å²	43.2	25%	0.245	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.3	-178.7	-52.1	0	0	0	0	109.6	L438 E440	T314-L438 HydrophobicContact CG2-CB 4.49Å; T314-L438 HydrophobicContact CG2-CD2 3.89Å; T314-E440 HydrophobicContact CG2-CG 4.22Å
315	L	92.9	Very high	92.6	Very high	21 Å²	21	47 Å²	47	11%	0.11	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.7	172.2	-58.6	178.4	0	0	0	109.5	P323 L326 M329 Y333 L438 L439	L315-P323 HydrophobicContact CD2-CG 4.41Å; L315-L326 HydrophobicContact CD1-CD1 4.17Å; L315-M329 HydrophobicContact CD1-CE 4.1Å; L315-Y333 HydrophobicContact CD1-CE2 4.07Å; L315-L438 WeakPolarHBondContact O-CA 3.32Å; L315-L439 HydrophobicContact CB-CB 4.28Å; L315-L439 HydrophobicContact CD1-CD2 4.06Å; L315-L439 PolarHBondContact N-O 3.06Å; L315-L439 PolarHBondContact O-N 2.77Å
316	I	92.8	Very high	92.7	Very high	63 Å²	63	46.8 Å²	46.8	32%	0.323	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	126	174.2	-59.5	175	0	0	0	108.7	N318 E321 R322 L438	I316-N318 HydrophobicContact CG2-CB 4.22Å; I316-N318 WeakPolarHBondContact CG2-ND2 3.44Å; I316-E321 HydrophobicContact CB-CB 4.05Å; I316-E321 HydrophobicContact CG2-CB 3.93Å; I316-R322 VanDerWaalsContact O-CA 3.3Å; I316-R322 WeakPolarHBondContact O-CA 3.41Å; I316-L438 HydrophobicContact CG1-CD2 4.15Å
317	L	94.2	Very high	92.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.243	C	C	.	.			trans	-98.3	2.6	-174.9	-58.3	-177.7	0	0	0	113.5	R322 L326 F432 F436 S437 L439	L317-R322 PolarHBondContact O-NE 2.92Å; L317-R322 PolarHBondContact O-NH2 2.95Å; L317-L326 HydrophobicContact CD2-CD1 4.05Å; L317-L326 HydrophobicContact CD2-CD2 3.58Å; L317-L326 HydrophobicContact CD2-CG 4.49Å; L317-F432 HydrophobicContact CD1-CE1 3.77Å; L317-F432 HydrophobicContact CD1-CZ 4.1Å; L317-F436 WeakPolarHBondContact CB-O 3.34Å; L317-F436 HydrophobicContact CD1-CB 3.71Å; L317-S437 WeakPolarHBondContact CB-O 3.27Å; L317-S437 PolarHBondContact N-O 2.8Å; L317-L439 HydrophobicContact CD1-CB 4.08Å; L317-L439 HydrophobicContact CD2-CB 4.09Å; L317-L439 HydrophobicContact CG-CB 4.26Å
318	N	89.1	Confident	92.6	Very high	64 Å²	64	55.5 Å²	55.5	34%	0.342	28%	0.275	S	S	.	.	S	Bend	trans	-64.6	155.5	176	77.6	44.8	0	0	0	111.5	I316 K320 E321 R322	I316-N318 HydrophobicContact CG2-CB 4.22Å; I316-N318 WeakPolarHBondContact CG2-ND2 3.44Å; N318-K320 PolarHBondContact O-N 3.15Å; N318-K320 WeakPolarHBondContact OD1-CA 3.18Å; N318-K320 WeakPolarHBondContact OD1-CB 3.12Å; N318-K320 PolarHBondContact OD1-N 3.35Å; N318-E321 PolarHBondContact ND2-OE2 2.89Å; N318-E321 PolarHBondContact O-N 3.06Å; N318-E321 PolarHBondContact OD1-N 3.06Å; N318-R322 WeakPolarHBondContact O-CB 3.33Å; N318-R322 PolarHBondContact O-N 3.11Å
319	K	86.6	Confident	92.6	Very high	181 Å²	181	57 Å²	57	79%	0.787	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-19.6	-175.2	-68.7	-176	177.6	-178.7	0	115.1
320	K	89.5	Confident	92.7	Very high	197 Å²	197	57 Å²	57	86%	0.857	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-38.7	-176.1	-175.3	-175.7	174.7	-168.7	0	112.2	N318	N318-K320 PolarHBondContact O-N 3.15Å; N318-K320 WeakPolarHBondContact OD1-CA 3.18Å; N318-K320 WeakPolarHBondContact OD1-CB 3.12Å; N318-K320 PolarHBondContact OD1-N 3.35Å
321	E	90.9	Very high	92.6	Very high	110 Å²	110	59.8 Å²	59.8	51%	0.514	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-10.8	-170.9	-65	174.2	113	0	0	112.9	I316 N318 P323	I316-E321 HydrophobicContact CB-CB 4.05Å; I316-E321 HydrophobicContact CG2-CB 3.93Å; N318-E321 PolarHBondContact ND2-OE2 2.89Å; N318-E321 PolarHBondContact O-N 3.06Å; N318-E321 PolarHBondContact OD1-N 3.06Å; E321-P323 WeakPolarHBondContact O-CD 3.29Å
322	R	93.5	Very high	92.3	Very high	45 Å²	45	64.7 Å²	64.7	17%	0.17	32%	0.318	C	S	.	.			trans	-57.4	128.3	179.1	-173.8	-174.2	-52.2	158.6	0.6	111.7	I316 L317 N318 L326 E433	I316-R322 VanDerWaalsContact O-CA 3.3Å; I316-R322 WeakPolarHBondContact O-CA 3.41Å; L317-R322 PolarHBondContact O-NE 2.92Å; L317-R322 PolarHBondContact O-NH2 2.95Å; N318-R322 WeakPolarHBondContact O-CB 3.33Å; N318-R322 PolarHBondContact O-N 3.11Å; R322-L326 HydrophobicContact CG-CB 4.5Å; R322-L326 HydrophobicContact CG-CD2 4Å; R322-E433 WeakPolarHBondContact CD-OE1 3.44Å; R322-E433 IonicContact CZ-OE1 3.8Å; R322-E433 IonicContact NE-OE1 3.77Å; R322-E433 VanDerWaalsContact NH1-CB 3.33Å; R322-E433 IonicContact NH1-OE1 3.18Å; R322-E433 PolarHBondContact NH1-OE1 2.93Å; R322-E433 IonicContact NH1-OE2 3.1Å; R322-E433 PolarHBondContact NH1-OE2 2.92Å; R322-E433 VanDerWaalsContact NH1-OE2 3.1Å; R322-E433 PolarHBondContact NH2-O 3.14Å
323	P	92.1	Very high	92.1	Very high	30 Å²	30	64.9 Å²	64.9	20%	0.195	32%	0.318	C	S	.	.			trans	-62.4	131.4	173.2	-26.3	37.2	0	0	0	112	L315 E321 N325 L326 M329	L315-P323 HydrophobicContact CD2-CG 4.41Å; E321-P323 WeakPolarHBondContact O-CD 3.29Å; P323-N325 PolarHBondContact O-N 3.36Å; P323-N325 VanDerWaalsContact O-N 3.12Å; P323-L326 WeakPolarHBondContact O-CB 3.16Å; P323-L326 PolarHBondContact O-N 2.75Å; P323-L326 VanDerWaalsContact O-N 3.12Å; P323-M329 HydrophobicContact CB-CE 3.32Å; P323-M329 HydrophobicContact CB-SD 4.47Å; P323-M329 HydrophobicContact CG-CE 3.7Å
324	P	92	Very high	91.8	Very high	142 Å²	142	66.7 Å²	66.7	92%	0.922	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-18	-176.9	26.5	-35.2	0	0	0	113.7
325	N	92.7	Very high	91.3	Very high	79 Å²	79	71.7 Å²	71.7	42%	0.422	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	17.9	178.3	63.4	-39.2	0	0	0	113.4	P323 L327 K328 M329	P323-N325 PolarHBondContact O-N 3.36Å; P323-N325 VanDerWaalsContact O-N 3.12Å; N325-L327 VanDerWaalsContact C-N 3.34Å; N325-L327 PolarHBondContact O-N 3.42Å; N325-K328 WeakPolarHBondContact O-CB 3.36Å; N325-K328 PolarHBondContact O-N 3.43Å; N325-M329 PolarHBondContact O-N 2.95Å; N325-M329 VanDerWaalsContact O-N 3.11Å
326	L	95.1	Very high	90.8	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-45.7	-50.9	-175.8	177.8	63.9	0	0	0	114	L315 L317 R322 P323 K328 M329 M330 F429 E433 L439	L315-L326 HydrophobicContact CD1-CD1 4.17Å; L317-L326 HydrophobicContact CD2-CD1 4.05Å; L317-L326 HydrophobicContact CD2-CD2 3.58Å; L317-L326 HydrophobicContact CD2-CG 4.49Å; R322-L326 HydrophobicContact CG-CB 4.5Å; R322-L326 HydrophobicContact CG-CD2 4Å; P323-L326 WeakPolarHBondContact O-CB 3.16Å; P323-L326 PolarHBondContact O-N 2.75Å; P323-L326 VanDerWaalsContact O-N 3.12Å; L326-K328 VanDerWaalsContact C-N 3.31Å; L326-K328 PolarHBondContact O-N 2.86Å; L326-M329 HydrophobicContact CB-CE 4.38Å; L326-M329 HydrophobicContact CD1-CE 4.17Å; L326-M329 WeakPolarHBondContact O-CB 3.24Å; L326-M329 PolarHBondContact O-N 3.31Å; L326-M330 HydrophobicContact CD1-CG 4.05Å; L326-M330 HydrophobicContact CD1-SD 4.18Å; L326-M330 HydrophobicContact CG-CG 4.37Å; L326-M330 HydrophobicContact CG-SD 4.09Å; L326-M330 WeakPolarHBondContact O-CG 3.42Å; L326-M330 PolarHBondContact O-N 3.11Å; L326-F429 HydrophobicContact CB-CZ 4.1Å; L326-F429 HydrophobicContact CD2-CE2 4.07Å; L326-F429 HydrophobicContact CD2-CZ 3.85Å; L326-F429 HydrophobicContact CG-CE2 4.08Å; L326-F429 HydrophobicContact CG-CZ 3.93Å; L326-E433 HydrophobicContact CD2-CG 4.15Å; L326-L439 HydrophobicContact CD1-CD2 4.02Å
327	L	95.4	Very high	90.4	Very high	31 Å²	31	69.4 Å²	69.4	16%	0.162	34%	0.338	C	S	.	.	H	α-helix	trans	-56	-44.9	179.7	178.3	62.4	0	0	0	112.4	N325 M329 M330 E331 V368 Y379 F429	N325-L327 VanDerWaalsContact C-N 3.34Å; N325-L327 PolarHBondContact O-N 3.42Å; L327-M329 VanDerWaalsContact C-N 3.31Å; L327-M329 PolarHBondContact O-N 2.98Å; L327-M330 PolarHBondContact O-N 3.31Å; L327-E331 WeakPolarHBondContact O-CG 3.46Å; L327-E331 PolarHBondContact O-N 3.25Å; L327-V368 HydrophobicContact CD1-CG1 4.07Å; L327-Y379 HydrophobicContact CD1-CD1 3.96Å; L327-Y379 HydrophobicContact CD1-CG 4.07Å; L327-Y379 HydrophobicContact CD2-CD1 3.66Å; L327-Y379 HydrophobicContact CD2-CD2 3.66Å; L327-Y379 HydrophobicContact CD2-CE1 3.91Å; L327-Y379 HydrophobicContact CD2-CE2 3.94Å; L327-Y379 HydrophobicContact CD2-CG 3.51Å; L327-Y379 HydrophobicContact CG-CD1 4.25Å; L327-Y379 HydrophobicContact CG-CG 4.38Å; L327-F429 HydrophobicContact CB-CD1 4.45Å; L327-F429 HydrophobicContact CB-CD2 4.48Å; L327-F429 HydrophobicContact CB-CE1 3.94Å; L327-F429 HydrophobicContact CB-CE2 3.98Å; L327-F429 HydrophobicContact CB-CZ 3.69Å; L327-F429 HydrophobicContact CD1-CD2 3.85Å; L327-F429 HydrophobicContact CD1-CE2 4.11Å; L327-F429 HydrophobicContact CD1-CG 4.07Å
328	K	93.2	Very high	90.2	Very high	153 Å²	153	69.7 Å²	69.7	67%	0.665	34%	0.34	S	S	*	.	H	α-helix	trans	-65.8	-35.8	178.8	-68.1	-179.2	179.6	175.9	0	111.6	N325 L326 H332	N325-K328 WeakPolarHBondContact O-CB 3.36Å; N325-K328 PolarHBondContact O-N 3.43Å; L326-K328 VanDerWaalsContact C-N 3.31Å; L326-K328 PolarHBondContact O-N 2.86Å; K328-H332 WeakPolarHBondContact O-CB 3.3Å; K328-H332 PolarHBondContact O-N 3.33Å
329	M	92.3	Very high	90.3	Very high	30 Å²	30	66.9 Å²	66.9	15%	0.148	33%	0.325	C	S	.	.	H	α-helix	trans	-66.7	-46.2	175.4	-62.9	-171	-60.3	0	0	110.7	L315 P323 N325 L326 L327 E331 H332 Y333	L315-M329 HydrophobicContact CD1-CE 4.1Å; P323-M329 HydrophobicContact CB-CE 3.32Å; P323-M329 HydrophobicContact CB-SD 4.47Å; P323-M329 HydrophobicContact CG-CE 3.7Å; N325-M329 PolarHBondContact O-N 2.95Å; N325-M329 VanDerWaalsContact O-N 3.11Å; L326-M329 HydrophobicContact CB-CE 4.38Å; L326-M329 HydrophobicContact CD1-CE 4.17Å; L326-M329 WeakPolarHBondContact O-CB 3.24Å; L326-M329 PolarHBondContact O-N 3.31Å; L327-M329 VanDerWaalsContact C-N 3.31Å; L327-M329 PolarHBondContact O-N 2.98Å; M329-E331 VanDerWaalsContact C-N 3.35Å; M329-E331 PolarHBondContact O-N 3.2Å; M329-H332 CarbonylContact O-C 3.59Å; M329-H332 WeakPolarHBondContact O-CA 3.41Å; M329-H332 VanDerWaalsContact O-CB 3.31Å; M329-H332 WeakPolarHBondContact O-CB 3.31Å; M329-H332 PolarHBondContact O-N 2.97Å; M329-Y333 HydrophobicContact CB-CE2 4.02Å; M329-Y333 WeakPolarHBondContact O-CD2 3.46Å; M329-Y333 PolarHBondContact O-N 2.84Å
330	M	94.9	Very high	90.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-41	176.6	-60	178.1	71.3	0	0	111.9	L326 L327 H332 Y333 T334 V365 V368 V381 F429 F432 L439	L326-M330 HydrophobicContact CD1-CG 4.05Å; L326-M330 HydrophobicContact CD1-SD 4.18Å; L326-M330 HydrophobicContact CG-CG 4.37Å; L326-M330 HydrophobicContact CG-SD 4.09Å; L326-M330 WeakPolarHBondContact O-CG 3.42Å; L326-M330 PolarHBondContact O-N 3.11Å; L327-M330 PolarHBondContact O-N 3.31Å; M330-H332 VanDerWaalsContact C-N 3.26Å; M330-H332 PolarHBondContact O-N 3.12Å; M330-Y333 PolarHBondContact O-N 2.96Å; M330-T334 WeakPolarHBondContact O-CG2 3.47Å; M330-T334 PolarHBondContact O-N 3.46Å; M330-V365 HydrophobicContact CE-CG1 4.01Å; M330-V368 HydrophobicContact CB-CG2 3.81Å; M330-V368 HydrophobicContact CE-CG2 4.07Å; M330-V381 HydrophobicContact CE-CG1 3.91Å; M330-V381 HydrophobicContact CE-CG2 4.08Å; M330-F429 HydrophobicContact SD-CD2 4.36Å; M330-F429 HydrophobicContact SD-CE2 3.79Å; M330-F432 HydrophobicContact CE-CD1 4.44Å; M330-F432 HydrophobicContact CE-CE1 3.89Å; M330-F432 HydrophobicContact CE-CZ 4.09Å; M330-F432 HydrophobicContact SD-CE1 4.1Å; M330-L439 HydrophobicContact CE-CD2 4.25Å; M330-L439 HydrophobicContact CG-CD2 3.79Å; M330-L439 HydrophobicContact SD-CD2 4.09Å
331	E	91.9	Very high	91	Very high	60 Å²	60	49.3 Å²	49.3	28%	0.28	25%	0.249	S	C	.	.	H	α-helix	trans	-60.3	-35.6	171.6	-74.2	-176.3	140	0	0	112.4	L327 M329 T334 K335 V368	L327-E331 WeakPolarHBondContact O-CG 3.46Å; L327-E331 PolarHBondContact O-N 3.25Å; M329-E331 VanDerWaalsContact C-N 3.35Å; M329-E331 PolarHBondContact O-N 3.2Å; E331-T334 PolarHBondContact O-OG1 3.12Å; E331-K335 WeakPolarHBondContact O-CG 3.47Å; E331-V368 HydrophobicContact CG-CG1 4.01Å
332	H	88.6	Confident	91.2	Very high	102 Å²	102	44.1 Å²	44.1	47%	0.472	22%	0.224	S	C	.	.	H	α-helix	trans	-68.5	-44.8	173.7	-178	73.9	0	0	0	111.5	K328 M329 M330 T334 K335 T336	K328-H332 WeakPolarHBondContact O-CB 3.3Å; K328-H332 PolarHBondContact O-N 3.33Å; M329-H332 CarbonylContact O-C 3.59Å; M329-H332 WeakPolarHBondContact O-CA 3.41Å; M329-H332 VanDerWaalsContact O-CB 3.31Å; M329-H332 WeakPolarHBondContact O-CB 3.31Å; M329-H332 PolarHBondContact O-N 2.97Å; M330-H332 VanDerWaalsContact C-N 3.26Å; M330-H332 PolarHBondContact O-N 3.12Å; H332-T334 VanDerWaalsContact C-N 3.3Å; H332-T334 PolarHBondContact O-N 3.27Å; H332-K335 WeakPolarHBondContact O-CA 3.37Å; H332-K335 VanDerWaalsContact O-CB 3.31Å; H332-K335 WeakPolarHBondContact O-CB 3.45Å; H332-K335 PolarHBondContact O-N 3.39Å; H332-T336 PolarHBondContact O-N 3.06Å
333	Y	90.3	Very high	91.2	Very high	9 Å²	9	43 Å²	43	4%	0.035	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-38.7	178.3	-62.5	-29.2	0	0	0	112.7	L315 M329 M330 K335 T336 C338 M340 V441 H443	L315-Y333 HydrophobicContact CD1-CE2 4.07Å; M329-Y333 HydrophobicContact CB-CE2 4.02Å; M329-Y333 WeakPolarHBondContact O-CD2 3.46Å; M329-Y333 PolarHBondContact O-N 2.84Å; M330-Y333 PolarHBondContact O-N 2.96Å; Y333-K335 PolarHBondContact O-N 3.46Å; Y333-T336 WeakPolarHBondContact CA-OG1 3.36Å; Y333-T336 PolarHBondContact O-N 3.34Å; Y333-T336 PolarHBondContact O-OG1 2.94Å; Y333-T336 VanDerWaalsContact O-OG1 3.06Å; Y333-C338 PolarHBondContact O-SG 3.22Å; Y333-M340 VanDerWaalsContact CB-SD 3.53Å; Y333-M340 HydrophobicContact CD2-SD 3.98Å; Y333-M340 HydrophobicContact CG-SD 4.22Å; Y333-V441 HydrophobicContact CD1-CG1 4.15Å; Y333-V441 HydrophobicContact CD2-CG1 4.03Å; Y333-V441 HydrophobicContact CD2-CG2 3.83Å; Y333-V441 HydrophobicContact CE1-CG1 4.36Å; Y333-V441 HydrophobicContact CE2-CB 4.42Å; Y333-V441 HydrophobicContact CE2-CG1 4.22Å; Y333-V441 HydrophobicContact CE2-CG2 3.66Å; Y333-V441 HydrophobicContact CG-CG1 4Å; Y333-H443 AromaticContact CE1-CE1 3.75Å
334	T	86.5	Confident	91.2	Very high	42 Å²	42	41.7 Å²	41.7	26%	0.258	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.1	173.7	64.3	0	0	0	0	113.8	M330 E331 H332 M340 V368 K458	M330-T334 WeakPolarHBondContact O-CG2 3.47Å; M330-T334 PolarHBondContact O-N 3.46Å; E331-T334 PolarHBondContact O-OG1 3.12Å; H332-T334 VanDerWaalsContact C-N 3.3Å; H332-T334 PolarHBondContact O-N 3.27Å; T334-M340 HydrophobicContact CG2-CE 3.96Å; T334-V368 HydrophobicContact CG2-CB 4.02Å; T334-V368 HydrophobicContact CG2-CG2 3.95Å; T334-K458 VanDerWaalsContact O-CE 3.28Å; T334-K458 WeakPolarHBondContact O-CE 3.47Å; T334-K458 PolarHBondContact O-NZ 2.99Å
335	K	82.3	Confident	90.8	Very high	145 Å²	145	35.5 Å²	35.5	63%	0.63	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-6.5	179.3	-58.5	168.2	-172.8	167.3	0	113.3	E331 H332 Y333	E331-K335 WeakPolarHBondContact O-CG 3.47Å; H332-K335 WeakPolarHBondContact O-CA 3.37Å; H332-K335 VanDerWaalsContact O-CB 3.31Å; H332-K335 WeakPolarHBondContact O-CB 3.45Å; H332-K335 PolarHBondContact O-N 3.39Å; Y333-K335 PolarHBondContact O-N 3.46Å
336	T	82.4	Confident	90.3	Very high	29 Å²	29	34 Å²	34	18%	0.178	18%	0.179	C	C	.	.	S	Bend	trans	-105.2	163.9	177.3	54.7	0	0	0	0	111.8	H332 Y333 C338 K458	H332-T336 PolarHBondContact O-N 3.06Å; Y333-T336 WeakPolarHBondContact CA-OG1 3.36Å; Y333-T336 PolarHBondContact O-N 3.34Å; Y333-T336 PolarHBondContact O-OG1 2.94Å; Y333-T336 VanDerWaalsContact O-OG1 3.06Å; T336-C338 VanDerWaalsContact C-N 3.26Å; T336-C338 PolarHBondContact O-N 3.47Å; T336-C338 PolarHBondContact OG1-SG 3.4Å; T336-K458 WeakPolarHBondContact O-CD 3.44Å
337	C	84.5	Confident	89.8	Confident	7 Å²	7	40.1 Å²	40.1	5%	0.047	21%	0.211	C	C	.	.	S	Bend	trans	-74.6	80	170.3	-70.3	0	0	0	0	109.9	F444 K458	C337-F444 HydrophobicContact CB-CB 3.97Å; C337-F444 HydrophobicContact CB-CD2 4.02Å; C337-F444 HydrophobicContact CB-CG 4.33Å; C337-F444 WeakPolarHBondContact O-CB 3.24Å; C337-F444 WeakPolarHBondContact O-CG 3.34Å; C337-F444 PolarHBondContact O-N 3.08Å; C337-K458 VanDerWaalsContact SG-C 3.55Å; C337-K458 WeakPolarHBondContact SG-CB 3.48Å; C337-K458 PolarHBondContact SG-O 2.92Å; C337-K458 VanDerWaalsContact SG-O 3.33Å
338	C	89.9	Confident	89.2	Confident	6 Å²	6	48.1 Å²	48.1	4%	0.041	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	161.5	174.8	66.4	0	0	0	0	112.3	Y214 Y333 T336 V441 C442	Y214-C338 PolarHBondContact OH-O 3.08Å; Y333-C338 PolarHBondContact O-SG 3.22Å; T336-C338 VanDerWaalsContact C-N 3.26Å; T336-C338 PolarHBondContact O-N 3.47Å; T336-C338 PolarHBondContact OG1-SG 3.4Å; C338-V441 HydrophobicContact CB-CG1 4.06Å; C338-C442 CarbonylContact C-O 3.52Å; C338-C442 WeakPolarHBondContact CA-O 3.34Å; C338-C442 WeakPolarHBondContact CB-O 3.47Å
339	V	91.8	Very high	88.9	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	149.3	164.4	-71.6	0	0	0	0	110.1	T210 Y214 M304 V441 C442 F444	T210-V339 HydrophobicContact CG2-CB 3.94Å; T210-V339 HydrophobicContact CG2-CG1 3.62Å; Y214-V339 HydrophobicContact CD2-CG1 4.26Å; Y214-V339 HydrophobicContact CE2-CG1 3.37Å; M304-V339 HydrophobicContact CB-CG2 4.34Å; M304-V339 HydrophobicContact CE-CG2 4.38Å; M304-V339 HydrophobicContact CG-CG2 3.86Å; M304-V339 HydrophobicContact SD-CG2 3.8Å; V339-V441 CarbonylContact O-C 3.59Å; V339-V441 WeakPolarHBondContact O-CA 3.37Å; V339-C442 HydrophobicContact CG2-CB 3.58Å; V339-C442 PolarHBondContact N-O 3.38Å; V339-C442 PolarHBondContact O-N 2.69Å; V339-F444 HydrophobicContact CB-CZ 4.49Å; V339-F444 HydrophobicContact CG1-CE1 4.36Å; V339-F444 HydrophobicContact CG1-CZ 3.72Å; V339-F444 HydrophobicContact CG2-CE1 4.01Å; V339-F444 HydrophobicContact CG2-CZ 4.21Å
340	M	94.7	Very high	88.7	Confident	10 Å²	10	50 Å²	50	5%	0.049	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.2	-179.3	-64.1	178.4	-74.9	0	0	109.8	Y333 T334 V365 L439 E440 V441	Y333-M340 VanDerWaalsContact CB-SD 3.53Å; Y333-M340 HydrophobicContact CD2-SD 3.98Å; Y333-M340 HydrophobicContact CG-SD 4.22Å; T334-M340 HydrophobicContact CG2-CE 3.96Å; M340-V365 HydrophobicContact CB-CB 3.75Å; M340-V365 HydrophobicContact CB-CG1 4.2Å; M340-V365 HydrophobicContact CE-CG1 4.19Å; M340-V365 PolarHBondContact O-N 3.32Å; M340-V365 HydrophobicContact SD-CG1 4.42Å; M340-L439 HydrophobicContact CB-CD1 4.22Å; M340-E440 WeakPolarHBondContact CA-O 3.33Å; M340-V441 HydrophobicContact CG-CG1 4.12Å; M340-V441 HydrophobicContact CG-CG2 4.19Å
341	G	95.4	Very high	88.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145	177.9	0	0	0	0	0	108.5	Q300 Y363 L439 E440	Q300-G341 VanDerWaalsContact OE1-CA 3.28Å; G341-Y363 CarbonylContact C-O 3.58Å; G341-Y363 WeakPolarHBondContact CA-O 3.2Å; G341-L439 CarbonylContact O-C 3.43Å; G341-L439 WeakPolarHBondContact O-CA 3.41Å; G341-L439 WeakPolarHBondContact O-CD1 3.31Å; G341-E440 PolarHBondContact N-O 3.29Å; G341-E440 PolarHBondContact O-N 3.27Å
342	A	96	Very high	88.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.4	178.6	0	0	0	0	0	110.5	Q300 Y363 V365 F432 F436 L438 L439	Q300-A342 PolarHBondContact NE2-O 3.24Å; A342-Y363 PolarHBondContact N-O 2.77Å; A342-Y363 PolarHBondContact O-N 3.44Å; A342-V365 HydrophobicContact CB-CG2 3.6Å; A342-F432 HydrophobicContact CB-CE2 3.75Å; A342-F432 HydrophobicContact CB-CZ 3.73Å; A342-F436 HydrophobicContact CB-CD1 3.39Å; A342-F436 HydrophobicContact CB-CE1 3.76Å; A342-F436 HydrophobicContact CB-CG 4.22Å; A342-L438 VanDerWaalsContact CA-O 3.23Å; A342-L438 WeakPolarHBondContact CA-O 3.43Å; A342-L438 WeakPolarHBondContact CB-O 2.99Å; A342-L439 HydrophobicContact CB-CD1 4.4Å
343	D	93.6	Very high	88.4	Confident	22 Å²	22	54.7 Å²	54.7	12%	0.118	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.1	-177.5	-54.3	-57.8	0	0	0	110.8	Q300 A362 S437 L438	Q300-D343 PolarHBondContact NE2-OD1 3.31Å; D343-A362 WeakPolarHBondContact OD1-CA 3.5Å; D343-S437 PolarHBondContact O-N 2.8Å; D343-S437 PolarHBondContact O-OG 3.48Å; D343-S437 VanDerWaalsContact O-OG 3.07Å; D343-L438 HydrophobicContact CB-CB 4.3Å; D343-L438 PolarHBondContact N-O 2.93Å; D343-L438 PolarHBondContact O-N 2.92Å
344	V	91.3	Very high	88.5	Confident	2 Å²	2	61 Å²	61	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.1	171.1	176.8	0	0	0	0	108.9	R352 I358 S360 H361 Y363 F436	V344-R352 VanDerWaalsContact CG1-CD 3.44Å; V344-R352 VanDerWaalsContact CG1-NE 3.33Å; V344-I358 WeakPolarHBondContact CB-O 3.47Å; V344-I358 WeakPolarHBondContact CG1-O 3.33Å; V344-S360 VanDerWaalsContact O-CA 3.29Å; V344-S360 WeakPolarHBondContact O-CA 3.42Å; V344-S360 PolarHBondContact O-N 3.17Å; V344-H361 PolarHBondContact N-O 3.37Å; V344-H361 VanDerWaalsContact N-O 3.08Å; V344-Y363 HydrophobicContact CB-CE2 4.27Å; V344-Y363 HydrophobicContact CG2-CD2 3.95Å; V344-Y363 HydrophobicContact CG2-CE2 3.51Å; V344-F436 HydrophobicContact CG2-CD1 3.82Å; V344-F436 HydrophobicContact CG2-CE1 3.66Å; V344-F436 HydrophobicContact CG2-CE2 4.4Å; V344-F436 HydrophobicContact CG2-CG 4.29Å; V344-F436 HydrophobicContact CG2-CZ 3.97Å
345	G	84.4	Confident	88.8	Confident	13 Å²	13	60.7 Å²	60.7	13%	0.134	30%	0.296	C	S	.	.			trans	-61	153	-178.8	0	0	0	0	0	113.6	D347 R352 S437	G345-D347 PolarHBondContact O-N 2.85Å; G345-R352 PolarHBondContact O-NH1 3.32Å; G345-R352 PolarHBondContact O-NH2 3.26Å; G345-S437 WeakPolarHBondContact CA-OG 3.5Å; G345-S437 PolarHBondContact N-OG 2.76Å
346	G	81	Confident	89.2	Confident	47 Å²	47	54.3 Å²	54.3	49%	0.485	27%	0.271	S	S	.	.	S	Bend	trans	-73.9	-6.8	-175.1	0	0	0	0	0	115.9	K348 S360	G346-K348 PolarHBondContact O-N 3.1Å; G346-S360 WeakPolarHBondContact CA-OG 3.41Å
347	D	85.1	Confident	89.7	Confident	130 Å²	130	53 Å²	53	70%	0.695	26%	0.263	S	S	*	.	S	Bend	trans	-59	134.6	179	-42.2	-35.5	0	0	0	110.2	G345 N349 R352	G345-D347 PolarHBondContact O-N 2.85Å; D347-N349 PolarHBondContact O-N 3.43Å; D347-N349 VanDerWaalsContact O-N 3.17Å; D347-R352 PolarHBondContact O-NH2 2.99Å
348	K	82.4	Confident	89.9	Confident	200 Å²	200	54.2 Å²	54.2	87%	0.87	27%	0.269	S	S	*	.			trans	-65.5	118.8	176	-70.1	-172.4	177.9	-177.4	0	109.8	G346	G346-K348 PolarHBondContact O-N 3.1Å
349	N	86.9	Confident	89.8	Confident	56 Å²	56	55.1 Å²	55.1	30%	0.299	28%	0.279	S	S	.	.			trans	-133.7	95.3	177.3	-176.2	-26.4	0	0	0	108.6	D347 R351 R352 E353	D347-N349 PolarHBondContact O-N 3.43Å; D347-N349 VanDerWaalsContact O-N 3.17Å; N349-R351 VanDerWaalsContact C-N 3.28Å; N349-R351 PolarHBondContact O-N 3.28Å; N349-R351 PolarHBondContact OD1-N 3.11Å; N349-R352 HydrophobicContact CB-CB 3.76Å; N349-R352 VanDerWaalsContact CG-CB 3.49Å; N349-R352 WeakPolarHBondContact O-CB 3.44Å; N349-R352 PolarHBondContact O-N 3.42Å; N349-R352 VanDerWaalsContact O-N 3.09Å; N349-R352 PolarHBondContact OD1-N 3.08Å; N349-E353 WeakPolarHBondContact O-CG 3.17Å; N349-E353 PolarHBondContact O-N 2.85Å
350	K	88.7	Confident	89.7	Confident	166 Å²	166	59.3 Å²	59.3	72%	0.722	31%	0.308	S	S	*	.	H	α-helix	trans	-54.3	-44	-176.7	-69.8	-173.9	176.7	-175.6	0	112.5	R352 E353 E354	K350-R352 VanDerWaalsContact C-N 3.35Å; K350-R352 PolarHBondContact O-N 2.91Å; K350-E353 PolarHBondContact O-N 3.1Å; K350-E354 WeakPolarHBondContact O-CB 3.2Å; K350-E354 VanDerWaalsContact O-CG 3.24Å; K350-E354 WeakPolarHBondContact O-CG 3.3Å; K350-E354 PolarHBondContact O-N 2.83Å
351	R	89.6	Confident	89.5	Confident	159 Å²	159	59 Å²	59	60%	0.6	31%	0.307	S	S	*	.	H	α-helix	trans	-62.8	-43	179.7	-176.7	176.8	177.9	-149.2	-5	111.2	N349 E354 L355 Y435	N349-R351 VanDerWaalsContact C-N 3.28Å; N349-R351 PolarHBondContact O-N 3.28Å; N349-R351 PolarHBondContact OD1-N 3.11Å; R351-E354 PolarHBondContact O-N 3.34Å; R351-L355 HydrophobicContact CG-CD1 4.01Å; R351-L355 WeakPolarHBondContact O-CB 3.36Å; R351-L355 WeakPolarHBondContact O-CD1 3.24Å; R351-L355 WeakPolarHBondContact O-CG 3.25Å; R351-L355 PolarHBondContact O-N 3.41Å; R351-Y435 PolarHBondContact NE-OH 2.78Å
352	R	90.6	Very high	89.4	Confident	8 Å²	8	59.1 Å²	59.1	3%	0.03	31%	0.308	C	S	.	.	H	α-helix	trans	-61.1	-44.6	177	-178	-176.2	71.3	-162.9	-4.3	111.6	V344 G345 D347 N349 K350 L355 G356 L357 Y435	V344-R352 VanDerWaalsContact CG1-CD 3.44Å; V344-R352 VanDerWaalsContact CG1-NE 3.33Å; G345-R352 PolarHBondContact O-NH1 3.32Å; G345-R352 PolarHBondContact O-NH2 3.26Å; D347-R352 PolarHBondContact O-NH2 2.99Å; N349-R352 HydrophobicContact CB-CB 3.76Å; N349-R352 VanDerWaalsContact CG-CB 3.49Å; N349-R352 WeakPolarHBondContact O-CB 3.44Å; N349-R352 PolarHBondContact O-N 3.42Å; N349-R352 VanDerWaalsContact O-N 3.09Å; N349-R352 PolarHBondContact OD1-N 3.08Å; K350-R352 VanDerWaalsContact C-N 3.35Å; K350-R352 PolarHBondContact O-N 2.91Å; R352-L355 CarbonylContact O-C 3.56Å; R352-L355 PolarHBondContact O-N 3.29Å; R352-G356 PolarHBondContact O-N 2.87Å; R352-L357 HydrophobicContact CG-CB 3.55Å; R352-L357 HydrophobicContact CG-CD1 4.04Å; R352-L357 HydrophobicContact CG-CG 4.41Å; R352-L357 PolarHBondContact O-N 3.36Å; R352-L357 VanDerWaalsContact O-N 3.09Å; R352-Y435 HydrophobicContact CB-CD1 3.69Å; R352-Y435 HydrophobicContact CB-CE1 3.86Å; R352-Y435 HydrophobicContact CG-CD1 3.71Å; R352-Y435 HydrophobicContact CG-CE1 4.33Å; R352-Y435 HydrophobicContact CG-CG 4.14Å
353	E	89.7	Confident	89.3	Confident	94 Å²	94	59.1 Å²	59.1	44%	0.439	31%	0.308	S	S	.	.	H	α-helix	trans	-67.7	-41	178.7	-69.6	164.6	-159.1	0	0	112.2	N349 K350 L355 G356 L357	N349-E353 WeakPolarHBondContact O-CG 3.17Å; N349-E353 PolarHBondContact O-N 2.85Å; K350-E353 PolarHBondContact O-N 3.1Å; E353-L355 PolarHBondContact O-N 2.98Å; E353-G356 PolarHBondContact O-N 3.42Å; E353-L357 WeakPolarHBondContact CA-O 3.49Å
354	E	90.9	Very high	89.3	Confident	142 Å²	142	58.1 Å²	58.1	66%	0.664	30%	0.303	S	S	*	.	H	α-helix	trans	-60.1	-35.2	172.9	-76.4	167.1	-172.3	0	0	112	K350 R351 G356	K350-E354 WeakPolarHBondContact O-CB 3.2Å; K350-E354 VanDerWaalsContact O-CG 3.24Å; K350-E354 WeakPolarHBondContact O-CG 3.3Å; K350-E354 PolarHBondContact O-N 2.83Å; R351-E354 PolarHBondContact O-N 3.34Å; E354-G356 PolarHBondContact O-N 3.31Å
355	L	93.1	Very high	89.4	Confident	35 Å²	35	58.2 Å²	58.2	18%	0.183	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	4.8	175.1	-63.7	170.3	0	0	0	113.3	R351 R352 E353 W393 K394 Y435	R351-L355 HydrophobicContact CG-CD1 4.01Å; R351-L355 WeakPolarHBondContact O-CB 3.36Å; R351-L355 WeakPolarHBondContact O-CD1 3.24Å; R351-L355 WeakPolarHBondContact O-CG 3.25Å; R351-L355 PolarHBondContact O-N 3.41Å; R352-L355 CarbonylContact O-C 3.56Å; R352-L355 PolarHBondContact O-N 3.29Å; E353-L355 PolarHBondContact O-N 2.98Å; L355-W393 HydrophobicContact CB-CE3 3.86Å; L355-W393 HydrophobicContact CB-CH2 3.98Å; L355-W393 HydrophobicContact CB-CZ3 3.39Å; L355-W393 HydrophobicContact CD1-CH2 3.62Å; L355-W393 HydrophobicContact CD1-CZ3 3.86Å; L355-W393 HydrophobicContact CG-CH2 4.32Å; L355-W393 HydrophobicContact CG-CZ3 4.21Å; L355-W393 CarbonylContact O-C 3.6Å; L355-W393 WeakPolarHBondContact O-CA 3.39Å; L355-K394 PolarHBondContact O-N 3.18Å; L355-Y435 HydrophobicContact CD1-CE2 4.31Å
356	G	91.4	Very high	89.7	Confident	10 Å²	10	58.6 Å²	58.6	10%	0.103	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	-2.9	171.3	0	0	0	0	0	115.8	R352 E353 E354	R352-G356 PolarHBondContact O-N 2.87Å; E353-G356 PolarHBondContact O-N 3.42Å; E354-G356 PolarHBondContact O-N 3.31Å
357	L	92	Very high	90.2	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-82.9	124.8	176.3	-69.3	177.8	0	0	0	111.1	R352 E353 Y363 W393 F425 M427 Y435 F436	R352-L357 HydrophobicContact CG-CB 3.55Å; R352-L357 HydrophobicContact CG-CD1 4.04Å; R352-L357 HydrophobicContact CG-CG 4.41Å; R352-L357 PolarHBondContact O-N 3.36Å; R352-L357 VanDerWaalsContact O-N 3.09Å; E353-L357 WeakPolarHBondContact CA-O 3.49Å; L357-Y363 HydrophobicContact CD2-CE1 4.03Å; L357-W393 HydrophobicContact CD1-CE3 3.9Å; L357-W393 HydrophobicContact CD1-CZ3 3.72Å; L357-W393 HydrophobicContact CD2-CE3 4.37Å; L357-W393 HydrophobicContact CG-CE3 3.75Å; L357-W393 HydrophobicContact CG-CZ3 3.99Å; L357-F425 HydrophobicContact CD2-CE2 4.27Å; L357-F425 HydrophobicContact CD2-CZ 3.84Å; L357-M427 HydrophobicContact CD1-CE 4.1Å; L357-Y435 HydrophobicContact CD1-CD2 4.23Å; L357-Y435 HydrophobicContact CD1-CG 4.09Å; L357-F436 HydrophobicContact CD1-CE2 4.24Å; L357-F436 HydrophobicContact CD2-CZ 4.39Å
358	I	89.1	Confident	90.7	Very high	34 Å²	34	51.8 Å²	51.8	17%	0.174	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-82.7	132.4	177.6	-56.9	147.3	0	0	0	109.8	V344 H361 Y363 N385 W387 H391	V344-I358 WeakPolarHBondContact CB-O 3.47Å; V344-I358 WeakPolarHBondContact CG1-O 3.33Å; I358-H361 HydrophobicContact CB-CB 3.94Å; I358-H361 HydrophobicContact CG2-CB 3.86Å; I358-H361 WeakPolarHBondContact O-CB 3.31Å; I358-Y363 PolarHBondContact N-OH 3.3Å; I358-N385 WeakPolarHBondContact CD1-ND2 3.49Å; I358-W387 HydrophobicContact CD1-CD2 3.9Å; I358-W387 HydrophobicContact CD1-CE3 3.27Å; I358-W387 HydrophobicContact CD1-CH2 3.92Å; I358-W387 HydrophobicContact CD1-CZ2 4.46Å; I358-W387 HydrophobicContact CD1-CZ3 3.29Å; I358-W387 HydrophobicContact CG1-CE3 4.36Å; I358-W387 HydrophobicContact CG1-CH2 4.4Å; I358-W387 HydrophobicContact CG1-CZ3 3.93Å; I358-W387 HydrophobicContact CG2-CH2 3.92Å; I358-W387 HydrophobicContact CG2-CZ3 4.29Å; I358-H391 HydrophobicContact CD1-CB 3.91Å
359	G	88.6	Confident	91.3	Very high	25 Å²	25	42.8 Å²	42.8	26%	0.258	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	152.6	174.2	0	0	0	0	0	113.1	H361	G359-H361 PolarHBondContact O-N 2.96Å
360	S	88.2	Confident	91.7	Very high	91 Å²	91	44.7 Å²	44.7	64%	0.636	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	41.8	-174.9	-60.1	0	0	0	0	112.8	V344 G346	V344-S360 VanDerWaalsContact O-CA 3.29Å; V344-S360 WeakPolarHBondContact O-CA 3.42Å; V344-S360 PolarHBondContact O-N 3.17Å; G346-S360 WeakPolarHBondContact CA-OG 3.41Å
361	H	91.3	Very high	92.1	Very high	5 Å²	5	36.9 Å²	36.9	2%	0.023	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.1	-174.2	-165	56.4	0	0	0	112	C202 V344 I358 G359 Y363 N385 W387	C202-H361 WeakPolarHBondContact CB-CE1 3.45Å; C202-H361 VanDerWaalsContact CB-ND1 3.32Å; C202-H361 WeakPolarHBondContact CB-ND1 3.2Å; C202-H361 PolarHBondContact SG-ND1 2.98Å; V344-H361 PolarHBondContact N-O 3.37Å; V344-H361 VanDerWaalsContact N-O 3.08Å; I358-H361 HydrophobicContact CB-CB 3.94Å; I358-H361 HydrophobicContact CG2-CB 3.86Å; I358-H361 WeakPolarHBondContact O-CB 3.31Å; G359-H361 PolarHBondContact O-N 2.96Å; H361-Y363 HydrophobicContact CB-CE2 4Å; H361-Y363 AromaticContact CD2-CE2 3.71Å; H361-Y363 AromaticContact CD2-CZ 3.65Å; H361-Y363 WeakPolarHBondContact O-CD2 3.47Å; H361-N385 PolarHBondContact NE2-OD1 3.01Å; H361-W387 AromaticContact CE1-CD1 3.63Å; H361-W387 AromaticContact CE1-CE2 3.55Å; H361-W387 AromaticContact CE1-NE1 3.18Å; H361-W387 PolarHBondContact CE1-NE1 2.74Å; H361-W387 AromaticContact NE2-CD1 3.88Å; H361-W387 AromaticContact NE2-NE1 3.81Å
362	A	92.4	Very high	92.3	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.017	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	135.4	-180	0	0	0	0	0	110.9	C202 S206 Q300 D343 P386	C202-A362 HydrophobicContact CB-CB 4.3Å; S206-A362 PolarHBondContact OG-O 3.27Å; Q300-A362 HydrophobicContact CG-CB 3.82Å; Q300-A362 VanDerWaalsContact NE2-CB 3.33Å; D343-A362 WeakPolarHBondContact OD1-CA 3.5Å; A362-P386 WeakPolarHBondContact O-CD 3.28Å
363	Y	94.3	Very high	92.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.1	173.5	-61.3	-103.3	0	0	0	109.7	Q300 G341 A342 V344 L357 I358 H361 R384 N385 F425 F436	Q300-Y363 PolarHBondContact NE2-O 2.93Å; G341-Y363 CarbonylContact C-O 3.58Å; G341-Y363 WeakPolarHBondContact CA-O 3.2Å; A342-Y363 PolarHBondContact N-O 2.77Å; A342-Y363 PolarHBondContact O-N 3.44Å; V344-Y363 HydrophobicContact CB-CE2 4.27Å; V344-Y363 HydrophobicContact CG2-CD2 3.95Å; V344-Y363 HydrophobicContact CG2-CE2 3.51Å; L357-Y363 HydrophobicContact CD2-CE1 4.03Å; I358-Y363 PolarHBondContact N-OH 3.3Å; H361-Y363 HydrophobicContact CB-CE2 4Å; H361-Y363 AromaticContact CD2-CE2 3.71Å; H361-Y363 AromaticContact CD2-CZ 3.65Å; H361-Y363 WeakPolarHBondContact O-CD2 3.47Å; Y363-R384 CarbonylContact C-O 3.6Å; Y363-R384 VanDerWaalsContact CA-O 3.26Å; Y363-R384 WeakPolarHBondContact CA-O 3.47Å; Y363-R384 WeakPolarHBondContact CB-O 3.43Å; Y363-N385 HydrophobicContact CD1-CB 4.02Å; Y363-N385 HydrophobicContact CE1-CB 3.85Å; Y363-F425 HydrophobicContact CD1-CE1 4.24Å; Y363-F425 AromaticContact CD1-CZ 3.99Å; Y363-F425 HydrophobicContact CD1-CZ 3.99Å; Y363-F425 HydrophobicContact CE1-CE1 4.21Å; Y363-F425 HydrophobicContact CE1-CZ 4.02Å; Y363-F436 AromaticContact CD2-CE1 3.64Å; Y363-F436 HydrophobicContact CD2-CE1 3.64Å; Y363-F436 HydrophobicContact CD2-CZ 4.05Å; Y363-F436 HydrophobicContact CE2-CE1 4.38Å; Y363-F436 AromaticContact CG-CE1 3.95Å; Y363-F436 HydrophobicContact CG-CE1 3.95Å; Y363-F436 HydrophobicContact CG-CZ 4.12Å
364	S	93.5	Very high	92.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134.9	170.2	-43	0	0	0	0	110	S206 T210 C383 R384	S206-S364 PolarHBondContact O-OG 2.96Å; T210-S364 WeakPolarHBondContact OG1-CB 3.32Å; T210-S364 PolarHBondContact OG1-OG 3.29Å; S364-C383 CarbonylContact O-C 3.56Å; S364-C383 WeakPolarHBondContact O-CA 3.44Å; S364-R384 PolarHBondContact N-O 3.23Å; S364-R384 PolarHBondContact O-N 3.22Å
365	V	94.7	Very high	92.5	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.2	169.1	176.6	0	0	0	0	108.8	M330 M340 A342 V381 F432 L439	M330-V365 HydrophobicContact CE-CG1 4.01Å; M340-V365 HydrophobicContact CB-CB 3.75Å; M340-V365 HydrophobicContact CB-CG1 4.2Å; M340-V365 HydrophobicContact CE-CG1 4.19Å; M340-V365 PolarHBondContact O-N 3.32Å; M340-V365 HydrophobicContact SD-CG1 4.42Å; A342-V365 HydrophobicContact CB-CG2 3.6Å; V365-V381 HydrophobicContact CG1-CG1 3.87Å; V365-F432 HydrophobicContact CG2-CE2 3.97Å; V365-F432 HydrophobicContact CG2-CZ 4.16Å; V365-L439 HydrophobicContact CG2-CD1 4.15Å
366	T	91	Very high	92.6	Very high	20 Å²	20	37.5 Å²	37.5	12%	0.123	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-3.7	-165.2	62.9	0	0	0	0	114.4	K213 R382 R384 E424	K213-T366 VanDerWaalsContact NZ-CG2 3.31Å; T366-R382 PolarHBondContact N-O 3.19Å; T366-R382 PolarHBondContact O-NH2 3.18Å; T366-R382 VanDerWaalsContact OG1-CG 3.31Å; T366-R382 WeakPolarHBondContact OG1-CG 3.31Å; T366-R382 PolarHBondContact OG1-NE 3.4Å; T366-R382 PolarHBondContact OG1-O 3.15Å; T366-R384 HydrophobicContact CG2-CB 4.4Å; T366-E424 VanDerWaalsContact CB-OE1 3.31Å; T366-E424 WeakPolarHBondContact CB-OE1 3.34Å; T366-E424 WeakPolarHBondContact CG2-OE1 3.17Å; T366-E424 PolarHBondContact OG1-OE1 3.46Å
367	G	91.5	Very high	92.7	Very high	12 Å²	12	41 Å²	41	12%	0.124	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.8	156.8	179.2	0	0	0	0	0	113	R382	G367-R382 PolarHBondContact O-N 2.91Å
368	V	95.2	Very high	92.9	Very high	23 Å²	23	42.5 Å²	42.5	14%	0.139	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.3	170.7	-178.5	0	0	0	0	106.9	L327 M330 E331 T334 L380	L327-V368 HydrophobicContact CD1-CG1 4.07Å; M330-V368 HydrophobicContact CB-CG2 3.81Å; M330-V368 HydrophobicContact CE-CG2 4.07Å; E331-V368 HydrophobicContact CG-CG1 4.01Å; T334-V368 HydrophobicContact CG2-CB 4.02Å; T334-V368 HydrophobicContact CG2-CG2 3.95Å; V368-L380 WeakPolarHBondContact CA-O 3.44Å
369	G	95.1	Very high	93.3	Very high	11 Å²	11	44.6 Å²	44.6	11%	0.113	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	173.5	-178.5	0	0	0	0	0	113.6	Y379 L380	G369-Y379 CarbonylContact O-C 3.53Å; G369-Y379 WeakPolarHBondContact O-CA 3.19Å; G369-L380 PolarHBondContact N-O 2.82Å; G369-L380 PolarHBondContact O-N 3.45Å
370	K	95.3	Very high	93.7	Very high	96 Å²	96	43.4 Å²	43.4	42%	0.417	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.6	-176.2	-170.1	178.9	75.5	159	0	110.3	D377 V378 Y379	K370-D377 HydrophobicContact CD-CB 4.03Å; K370-D377 WeakPolarHBondContact CE-OD2 3.25Å; K370-D377 HydrophobicContact CG-CB 4.34Å; K370-D377 IonicContact NZ-OD2 2.74Å; K370-D377 PolarHBondContact NZ-OD2 3.13Å; K370-V378 WeakPolarHBondContact CA-O 2.98Å; K370-Y379 HydrophobicContact CB-CD1 4.1Å; K370-Y379 HydrophobicContact CB-CE1 4.14Å; K370-Y379 HydrophobicContact CD-CD1 4.3Å; K370-Y379 HydrophobicContact CD-CE1 3.63Å; K370-Y379 HydrophobicContact CD-CE2 4.45Å; K370-Y379 HydrophobicContact CG-CD1 4.12Å; K370-Y379 HydrophobicContact CG-CE1 3.96Å
371	V	96.1	Very high	94.2	Very high	1 Å²	1	39 Å²	39	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	149	173.7	-65.1	0	0	0	0	109.6	V378 L380 W397 W404 V407 D411 L415	V371-V378 HydrophobicContact CG2-CB 4.02Å; V371-V378 PolarHBondContact N-O 2.76Å; V371-V378 PolarHBondContact O-N 3.39Å; V371-L380 HydrophobicContact CG1-CD1 4.05Å; V371-L380 HydrophobicContact CG2-CD1 3.92Å; V371-L380 HydrophobicContact CG2-CG 4.24Å; V371-W397 HydrophobicContact CG2-CH2 3.69Å; V371-W397 HydrophobicContact CG2-CZ2 4.32Å; V371-W397 HydrophobicContact CG2-CZ3 3.93Å; V371-W404 HydrophobicContact CG1-CZ3 4.37Å; V371-V407 HydrophobicContact CB-CG1 4.02Å; V371-V407 HydrophobicContact CB-CG2 4.25Å; V371-V407 HydrophobicContact CG1-CG1 3.93Å; V371-V407 HydrophobicContact CG2-CG2 4.33Å; V371-D411 HydrophobicContact CB-CB 4.41Å; V371-D411 HydrophobicContact CG1-CB 4.04Å; V371-L415 HydrophobicContact CG1-CD1 3.46Å; V371-L415 VanDerWaalsContact CG1-CD1 3.46Å; V371-L415 HydrophobicContact CG1-CG 4.34Å
372	N	94.9	Very high	94.4	Very high	48 Å²	48	40.4 Å²	40.4	26%	0.257	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	113.8	166	-169.2	-95.7	0	0	0	109.3	G375 K376 D377 D411	N372-G375 PolarHBondContact OD1-N 3.34Å; N372-K376 CarbonylContact C-O 3.59Å; N372-K376 WeakPolarHBondContact CA-O 3.38Å; N372-D377 PolarHBondContact ND2-OD1 2.87Å; N372-D377 VanDerWaalsContact ND2-OD1 3.17Å; N372-D411 PolarHBondContact N-OD2 3.2Å; N372-D411 VanDerWaalsContact N-OD2 3.11Å
373	Y	93.4	Very high	94.5	Very high	55 Å²	55	40.3 Å²	40.3	22%	0.216	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.7	179.8	178.8	-109.1	0	0	0	109.4	G375 K376 V378 W397 E403 D406 V407	Y373-G375 PolarHBondContact O-N 2.81Å; Y373-G375 VanDerWaalsContact O-N 3.17Å; Y373-K376 PolarHBondContact N-O 3.22Å; Y373-K376 PolarHBondContact O-N 3.49Å; Y373-V378 HydrophobicContact CD1-CG2 4.47Å; Y373-W397 HydrophobicContact CD1-CZ2 4.26Å; Y373-W397 AromaticContact CD2-CH2 3.76Å; Y373-W397 HydrophobicContact CD2-CH2 3.76Å; Y373-W397 HydrophobicContact CD2-CZ2 4.25Å; Y373-W397 HydrophobicContact CE2-CH2 4.49Å; Y373-W397 AromaticContact CG-CH2 3.78Å; Y373-W397 HydrophobicContact CG-CH2 3.78Å; Y373-W397 AromaticContact CG-CZ2 3.95Å; Y373-W397 HydrophobicContact CG-CZ2 3.95Å; Y373-E403 HydrophobicContact CE2-CB 3.93Å; Y373-E403 HydrophobicContact CE2-CG 4.28Å; Y373-E403 WeakPolarHBondContact CE2-O 3.42Å; Y373-D406 HydrophobicContact CD2-CB 3.94Å; Y373-D406 HydrophobicContact CE2-CB 3.74Å; Y373-V407 HydrophobicContact CD2-CG2 4.3Å
374	M	91.2	Very high	94.3	Very high	130 Å²	130	40.5 Å²	40.5	64%	0.64	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	40.2	-178.5	-58.7	-174.6	173.8	0	0	113.6	K376 D406	M374-K376 VanDerWaalsContact C-N 3.26Å; M374-K376 PolarHBondContact O-N 2.84Å; M374-D406 VanDerWaalsContact CE-OD2 3.27Å; M374-D406 WeakPolarHBondContact CE-OD2 3.3Å
375	G	90.3	Very high	94.1	Very high	62 Å²	62	40.5 Å²	40.5	64%	0.639	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	-0.9	-179.9	0	0	0	0	0	115.1	N372 Y373	N372-G375 PolarHBondContact OD1-N 3.34Å; Y373-G375 PolarHBondContact O-N 2.81Å; Y373-G375 VanDerWaalsContact O-N 3.17Å
376	K	94.4	Very high	93.4	Very high	157 Å²	157	40.3 Å²	40.3	68%	0.683	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.3	175.1	-63.8	-178.6	-178.4	178.7	0	110.7	N372 Y373 M374	N372-K376 CarbonylContact C-O 3.59Å; N372-K376 WeakPolarHBondContact CA-O 3.38Å; Y373-K376 PolarHBondContact N-O 3.22Å; Y373-K376 PolarHBondContact O-N 3.49Å; M374-K376 VanDerWaalsContact C-N 3.26Å; M374-K376 PolarHBondContact O-N 2.84Å
377	D	94.7	Very high	92.8	Very high	82 Å²	82	43.1 Å²	43.1	44%	0.439	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	124	171.4	-80.2	5.3	0	0	0	109.4	K370 N372	K370-D377 HydrophobicContact CD-CB 4.03Å; K370-D377 WeakPolarHBondContact CE-OD2 3.25Å; K370-D377 HydrophobicContact CG-CB 4.34Å; K370-D377 IonicContact NZ-OD2 2.74Å; K370-D377 PolarHBondContact NZ-OD2 3.13Å; N372-D377 PolarHBondContact ND2-OD1 2.87Å; N372-D377 VanDerWaalsContact ND2-OD1 3.17Å
378	V	96.4	Very high	91.7	Very high	33 Å²	33	43 Å²	43	20%	0.2	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.4	177.6	-178.5	0	0	0	0	108.7	K370 V371 Y373 L380 W397	K370-V378 WeakPolarHBondContact CA-O 2.98Å; V371-V378 HydrophobicContact CG2-CB 4.02Å; V371-V378 PolarHBondContact N-O 2.76Å; V371-V378 PolarHBondContact O-N 3.39Å; Y373-V378 HydrophobicContact CD1-CG2 4.47Å; V378-L380 HydrophobicContact CG1-CD2 3.88Å; V378-W397 HydrophobicContact CB-CZ2 4.25Å; V378-W397 HydrophobicContact CG1-CZ2 3.88Å; V378-W397 HydrophobicContact CG2-CZ2 4.38Å
379	Y	97	Very high	90.4	Very high	78 Å²	78	47.2 Å²	47.2	31%	0.306	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.3	177.2	-64.3	-88.9	0	0	0	110.1	L327 G369 K370 F429	L327-Y379 HydrophobicContact CD1-CD1 3.96Å; L327-Y379 HydrophobicContact CD1-CG 4.07Å; L327-Y379 HydrophobicContact CD2-CD1 3.66Å; L327-Y379 HydrophobicContact CD2-CD2 3.66Å; L327-Y379 HydrophobicContact CD2-CE1 3.91Å; L327-Y379 HydrophobicContact CD2-CE2 3.94Å; L327-Y379 HydrophobicContact CD2-CG 3.51Å; L327-Y379 HydrophobicContact CG-CD1 4.25Å; L327-Y379 HydrophobicContact CG-CG 4.38Å; G369-Y379 CarbonylContact O-C 3.53Å; G369-Y379 WeakPolarHBondContact O-CA 3.19Å; K370-Y379 HydrophobicContact CB-CD1 4.1Å; K370-Y379 HydrophobicContact CB-CE1 4.14Å; K370-Y379 HydrophobicContact CD-CD1 4.3Å; K370-Y379 HydrophobicContact CD-CE1 3.63Å; K370-Y379 HydrophobicContact CD-CE2 4.45Å; K370-Y379 HydrophobicContact CG-CD1 4.12Å; K370-Y379 HydrophobicContact CG-CE1 3.96Å; Y379-F429 WeakPolarHBondContact O-CB 3.44Å; Y379-F429 PolarHBondContact O-N 2.8Å
380	L	97.7	Very high	89.1	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.4	-176.3	-53.3	-179.4	0	0	0	110.6	V368 G369 V371 V378 W397 W404 L415 W426 M427	V368-L380 WeakPolarHBondContact CA-O 3.44Å; G369-L380 PolarHBondContact N-O 2.82Å; G369-L380 PolarHBondContact O-N 3.45Å; V371-L380 HydrophobicContact CG1-CD1 4.05Å; V371-L380 HydrophobicContact CG2-CD1 3.92Å; V371-L380 HydrophobicContact CG2-CG 4.24Å; V378-L380 HydrophobicContact CG1-CD2 3.88Å; L380-W397 HydrophobicContact CD1-CD2 4.07Å; L380-W397 HydrophobicContact CD1-CE3 3.78Å; L380-W397 HydrophobicContact CD1-CZ3 4.26Å; L380-W397 HydrophobicContact CD2-CB 4.22Å; L380-W397 HydrophobicContact CD2-CD2 3.54Å; L380-W397 HydrophobicContact CD2-CE3 4.11Å; L380-W397 HydrophobicContact CD2-CG 3.56Å; L380-W397 HydrophobicContact CD2-CZ2 4.45Å; L380-W397 HydrophobicContact CG-CD2 4.47Å; L380-W404 HydrophobicContact CD1-CH2 3.67Å; L380-W404 HydrophobicContact CD1-CZ2 4.27Å; L380-W404 HydrophobicContact CD1-CZ3 4.34Å; L380-L415 HydrophobicContact CD1-CD1 3.96Å; L380-W426 HydrophobicContact CB-CD2 4.47Å; L380-W426 HydrophobicContact CB-CE3 3.53Å; L380-W426 HydrophobicContact CB-CZ3 3.99Å; L380-W426 HydrophobicContact CD1-CE3 4.46Å; L380-M427 CarbonylContact C-O 3.57Å; L380-M427 VanDerWaalsContact CA-O 3.23Å; L380-M427 WeakPolarHBondContact CA-O 3.44Å
381	V	97.1	Very high	88.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.9	173.3	-175.7	0	0	0	0	108.1	M330 V365 W426 M427 F429 F432	M330-V381 HydrophobicContact CE-CG1 3.91Å; M330-V381 HydrophobicContact CE-CG2 4.08Å; V365-V381 HydrophobicContact CG1-CG1 3.87Å; V381-W426 WeakPolarHBondContact O-CA 3.4Å; V381-M427 PolarHBondContact N-O 3.03Å; V381-M427 PolarHBondContact O-N 3.47Å; V381-F429 HydrophobicContact CG2-CB 4.39Å; V381-F429 HydrophobicContact CG2-CD2 3.91Å; V381-F432 HydrophobicContact CB-CB 4.33Å; V381-F432 HydrophobicContact CB-CD2 4.22Å; V381-F432 HydrophobicContact CB-CG 4.24Å; V381-F432 HydrophobicContact CG1-CD2 3.85Å; V381-F432 HydrophobicContact CG1-CE2 4.06Å; V381-F432 HydrophobicContact CG1-CG 4.24Å; V381-F432 HydrophobicContact CG2-CB 4.09Å; V381-F432 HydrophobicContact CG2-CD1 4.35Å; V381-F432 HydrophobicContact CG2-CD2 4.48Å; V381-F432 HydrophobicContact CG2-CG 4.05Å
382	R	95.3	Very high	88	Confident	34 Å²	34	56.6 Å²	56.6	13%	0.128	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.5	175.1	-165	173.6	60	-179.5	-8.6	109.5	T366 G367 E424 F425 W426	T366-R382 PolarHBondContact N-O 3.19Å; T366-R382 PolarHBondContact O-NH2 3.18Å; T366-R382 VanDerWaalsContact OG1-CG 3.31Å; T366-R382 WeakPolarHBondContact OG1-CG 3.31Å; T366-R382 PolarHBondContact OG1-NE 3.4Å; T366-R382 PolarHBondContact OG1-O 3.15Å; G367-R382 PolarHBondContact O-N 2.91Å; R382-E424 WeakPolarHBondContact CD-OE2 3.27Å; R382-E424 HydrophobicContact CG-CG 3.56Å; R382-E424 IonicContact CZ-OE1 3.1Å; R382-E424 IonicContact CZ-OE2 2.78Å; R382-E424 IonicContact NE-OE1 3.85Å; R382-E424 PolarHBondContact NE-OE1 2.95Å; R382-E424 IonicContact NE-OE2 3.59Å; R382-E424 IonicContact NH1-OE2 2.65Å; R382-E424 PolarHBondContact NH1-OE2 3.27Å; R382-F425 WeakPolarHBondContact CA-O 3.37Å; R382-W426 HydrophobicContact CB-CD2 3.85Å; R382-W426 HydrophobicContact CB-CE3 3.71Å; R382-W426 HydrophobicContact CB-CH2 3.76Å; R382-W426 HydrophobicContact CB-CZ2 3.86Å; R382-W426 HydrophobicContact CB-CZ3 3.68Å; R382-W426 HydrophobicContact CG-CD2 4.09Å; R382-W426 HydrophobicContact CG-CE3 4.45Å; R382-W426 HydrophobicContact CG-CZ2 4.11Å
383	C	94.5	Very high	87.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	153.1	-179.4	-63.9	0	0	0	0	110	S364 E424 F425	S364-C383 CarbonylContact O-C 3.56Å; S364-C383 WeakPolarHBondContact O-CA 3.44Å; C383-E424 CarbonylContact O-C 3.56Å; C383-E424 WeakPolarHBondContact O-CA 3.39Å; C383-F425 HydrophobicContact CB-CD2 4.23Å; C383-F425 HydrophobicContact CB-CE1 4.45Å; C383-F425 HydrophobicContact CB-CE2 3.59Å; C383-F425 HydrophobicContact CB-CZ 3.73Å; C383-F425 PolarHBondContact N-O 2.93Å; C383-F425 PolarHBondContact O-N 3.4Å
384	R	90.1	Very high	87.8	Confident	4 Å²	4	59 Å²	59	2%	0.015	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.6	172.2	-177.5	-178.4	179.2	-92	-3.7	111.2	R191 V194 Y363 S364 T366 G423 E424	R191-R384 VanDerWaalsContact O-CZ 3.25Å; R191-R384 PolarHBondContact O-NH1 2.91Å; R191-R384 PolarHBondContact O-NH2 3.39Å; V194-R384 PolarHBondContact O-NH2 3.13Å; Y363-R384 CarbonylContact C-O 3.6Å; Y363-R384 VanDerWaalsContact CA-O 3.26Å; Y363-R384 WeakPolarHBondContact CA-O 3.47Å; Y363-R384 WeakPolarHBondContact CB-O 3.43Å; S364-R384 PolarHBondContact N-O 3.23Å; S364-R384 PolarHBondContact O-N 3.22Å; T366-R384 HydrophobicContact CG2-CB 4.4Å; R384-G423 CarbonylContact C-O 3.56Å; R384-G423 VanDerWaalsContact CA-O 3.3Å; R384-G423 WeakPolarHBondContact CA-O 3.24Å; R384-E424 HydrophobicContact CB-CB 4.29Å; R384-E424 HydrophobicContact CB-CG 4.47Å; R384-E424 HydrophobicContact CG-CB 4.34Å
385	N	89.3	Confident	88	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.251	C	S	.	.			trans	-89	129.4	168.7	-172.6	-9.6	0	0	0	110.6	I358 H361 Y363 W387 H391 G423	I358-N385 WeakPolarHBondContact CD1-ND2 3.49Å; H361-N385 PolarHBondContact NE2-OD1 3.01Å; Y363-N385 HydrophobicContact CD1-CB 4.02Å; Y363-N385 HydrophobicContact CE1-CB 3.85Å; N385-W387 VanDerWaalsContact C-N 3.26Å; N385-W387 PolarHBondContact O-N 3.28Å; N385-W387 WeakPolarHBondContact OD1-CB 3.34Å; N385-W387 PolarHBondContact OD1-N 2.96Å; N385-H391 VanDerWaalsContact ND2-CB 3.31Å; N385-H391 WeakPolarHBondContact ND2-CB 3.18Å; N385-H391 PolarHBondContact ND2-O 2.86Å; N385-G423 PolarHBondContact N-O 3.49Å
386	P	81.5	Confident	88.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.4	173.6	30	-39.5	0	0	0	115	Q196 C202 A205 S206 A362 G388	Q196-P386 PolarHBondContact N-O 3.15Å; C202-P386 HydrophobicContact CB-CG 4.31Å; A205-P386 HydrophobicContact CB-CB 3.98Å; S206-P386 WeakPolarHBondContact OG-CD 3.19Å; S206-P386 VanDerWaalsContact OG-CG 3.31Å; S206-P386 WeakPolarHBondContact OG-CG 3.28Å; A362-P386 WeakPolarHBondContact O-CD 3.28Å; P386-G388 PolarHBondContact O-N 2.8Å
387	W	78.7	Confident	88.2	Confident	80 Å²	80	45.5 Å²	45.5	30%	0.303	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	16.4	177.7	-66.2	3.9	0	0	0	114.5	D195 Q196 I358 H361 N385 H391	D195-W387 VanDerWaalsContact OD1-C 3.28Å; D195-W387 WeakPolarHBondContact OD1-CA 3.5Å; Q196-W387 VanDerWaalsContact CD-NE1 3.25Å; I358-W387 HydrophobicContact CD1-CD2 3.9Å; I358-W387 HydrophobicContact CD1-CE3 3.27Å; I358-W387 HydrophobicContact CD1-CH2 3.92Å; I358-W387 HydrophobicContact CD1-CZ2 4.46Å; I358-W387 HydrophobicContact CD1-CZ3 3.29Å; I358-W387 HydrophobicContact CG1-CE3 4.36Å; I358-W387 HydrophobicContact CG1-CH2 4.4Å; I358-W387 HydrophobicContact CG1-CZ3 3.93Å; I358-W387 HydrophobicContact CG2-CH2 3.92Å; I358-W387 HydrophobicContact CG2-CZ3 4.29Å; H361-W387 AromaticContact CE1-CD1 3.63Å; H361-W387 AromaticContact CE1-CE2 3.55Å; H361-W387 AromaticContact CE1-NE1 3.18Å; H361-W387 PolarHBondContact CE1-NE1 2.74Å; H361-W387 AromaticContact NE2-CD1 3.88Å; H361-W387 AromaticContact NE2-NE1 3.81Å; N385-W387 VanDerWaalsContact C-N 3.26Å; N385-W387 PolarHBondContact O-N 3.28Å; N385-W387 WeakPolarHBondContact OD1-CB 3.34Å; N385-W387 PolarHBondContact OD1-N 2.96Å; W387-H391 HydrophobicContact CE3-CB 4.42Å; W387-H391 AromaticContact CE3-CD2 3.52Å; W387-H391 AromaticContact CE3-CG 3.95Å; W387-H391 AromaticContact CE3-NE2 3.99Å
388	G	67.7	Low	88.2	Confident	8 Å²	8	42.3 Å²	42.3	8%	0.082	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	59.1	-146.6	-178.6	0	0	0	0	0	114.3	P386 R390 G423	P386-G388 PolarHBondContact O-N 2.8Å; G388-R390 PolarHBondContact O-N 2.77Å; G388-R390 VanDerWaalsContact O-N 3.1Å; G388-G423 WeakPolarHBondContact O-CA 3.39Å
389	E	67.2	Low	87.9	Confident	112 Å²	112	41 Å²	41	52%	0.523	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-68.8	-9.9	-164.9	-48.5	-173.4	157.5	0	0	114.3	E421	E389-E421 HydrophobicContact CB-CB 4.43Å; E389-E421 VanDerWaalsContact CG-O 3.26Å; E389-E421 WeakPolarHBondContact CG-O 3.27Å
390	R	68.9	Low	87.6	Confident	211 Å²	211	43.7 Å²	43.7	80%	0.796	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-86.2	-17	-166.7	-64.2	-176.6	-175.4	-176.7	5.4	114.9	G388	G388-R390 PolarHBondContact O-N 2.77Å; G388-R390 VanDerWaalsContact O-N 3.1Å
391	H	78.7	Confident	87.4	Confident	78 Å²	78	44.1 Å²	44.1	36%	0.361	20%	0.204	S	C	.	.			trans	-143.6	75.9	-167.1	-66.6	-76.3	0	0	0	112.6	I358 N385 W387	I358-H391 HydrophobicContact CD1-CB 3.91Å; N385-H391 VanDerWaalsContact ND2-CB 3.31Å; N385-H391 WeakPolarHBondContact ND2-CB 3.18Å; N385-H391 PolarHBondContact ND2-O 2.86Å; W387-H391 HydrophobicContact CE3-CB 4.42Å; W387-H391 AromaticContact CE3-CD2 3.52Å; W387-H391 AromaticContact CE3-CG 3.95Å; W387-H391 AromaticContact CE3-NE2 3.99Å
392	E	87.9	Confident	87.3	Confident	17 Å²	17	47.8 Å²	47.8	8%	0.079	23%	0.228	C	C	.	.			trans	-104.8	163.2	174.4	-68.3	-176.7	-176	0	0	113.4	K394 E421 D422 G423 F425	E392-K394 PolarHBondContact O-N 2.75Å; E392-E421 VanDerWaalsContact OE1-CA 3.23Å; E392-E421 WeakPolarHBondContact OE1-CA 3.13Å; E392-D422 PolarHBondContact OE1-N 3.24Å; E392-G423 WeakPolarHBondContact OE1-CA 3.36Å; E392-G423 PolarHBondContact OE1-N 3.2Å; E392-F425 HydrophobicContact CB-CD1 4.1Å; E392-F425 HydrophobicContact CG-CD1 4.21Å
393	W	92.6	Very high	87.3	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.015	23%	0.229	C	C	.	.			trans	-58.7	129.8	169.5	175.2	-116.9	0	0	0	111.6	L355 L357 G395 P396 S398 F425 W426 M427 D431 Y435	L355-W393 HydrophobicContact CB-CE3 3.86Å; L355-W393 HydrophobicContact CB-CH2 3.98Å; L355-W393 HydrophobicContact CB-CZ3 3.39Å; L355-W393 HydrophobicContact CD1-CH2 3.62Å; L355-W393 HydrophobicContact CD1-CZ3 3.86Å; L355-W393 HydrophobicContact CG-CH2 4.32Å; L355-W393 HydrophobicContact CG-CZ3 4.21Å; L355-W393 CarbonylContact O-C 3.6Å; L355-W393 WeakPolarHBondContact O-CA 3.39Å; L357-W393 HydrophobicContact CD1-CE3 3.9Å; L357-W393 HydrophobicContact CD1-CZ3 3.72Å; L357-W393 HydrophobicContact CD2-CE3 4.37Å; L357-W393 HydrophobicContact CG-CE3 3.75Å; L357-W393 HydrophobicContact CG-CZ3 3.99Å; W393-G395 VanDerWaalsContact CE2-CA 3.42Å; W393-G395 VanDerWaalsContact NE1-C 3.34Å; W393-G395 PolarHBondContact NE1-O 2.97Å; W393-P396 PolarHBondContact NE1-O 3.28Å; W393-S398 WeakPolarHBondContact O-CB 3.15Å; W393-F425 HydrophobicContact CB-CB 4.1Å; W393-F425 HydrophobicContact CB-CD1 4.1Å; W393-F425 HydrophobicContact CB-CD2 3.2Å; W393-F425 HydrophobicContact CB-CE1 4.33Å; W393-F425 HydrophobicContact CB-CE2 3.48Å; W393-F425 VanDerWaalsContact CB-CE2 3.48Å; W393-F425 HydrophobicContact CB-CG 3.53Å; W393-F425 HydrophobicContact CB-CZ 4.04Å; W393-F425 AromaticContact CG-CD2 3.97Å; W393-F425 HydrophobicContact CG-CD2 3.97Å; W393-F425 HydrophobicContact CG-CE2 4.24Å; W393-W426 VanDerWaalsContact CD1-O 3.28Å; W393-M427 HydrophobicContact CD2-CB 4.5Å; W393-M427 HydrophobicContact CD2-CE 4.19Å; W393-M427 HydrophobicContact CE3-CE 4.21Å; W393-M427 HydrophobicContact CG-CB 4.44Å; W393-M427 HydrophobicContact CH2-CE 4.06Å; W393-M427 HydrophobicContact CZ2-CE 4.07Å; W393-M427 HydrophobicContact CZ3-CE 4.13Å; W393-D431 HydrophobicContact CH2-CB 4.24Å; W393-D431 HydrophobicContact CZ2-CB 4.07Å; W393-Y435 AromaticContact CH2-CD2 3.9Å; W393-Y435 HydrophobicContact CH2-CD2 3.9Å; W393-Y435 AromaticContact CH2-CE2 3.61Å; W393-Y435 HydrophobicContact CH2-CE2 3.61Å; W393-Y435 HydrophobicContact CZ3-CD2 4.15Å; W393-Y435 HydrophobicContact CZ3-CE2 4.15Å
394	K	92.8	Very high	87.3	Confident	148 Å²	148	48 Å²	48	64%	0.643	23%	0.23	S	C	*	.			trans	-110.4	2.3	179.8	-60.4	177.5	-176.9	174.8	0	113.1	L355 E392	L355-K394 PolarHBondContact O-N 3.18Å; E392-K394 PolarHBondContact O-N 2.75Å
395	G	94.2	Very high	87.4	Confident	5 Å²	5	56 Å²	56	5%	0.052	27%	0.265	C	S	.	.	S	Bend	trans	-83.6	-167.5	178.8	0	0	0	0	0	113.5	W393 W397 S398 S401	W393-G395 VanDerWaalsContact CE2-CA 3.42Å; W393-G395 VanDerWaalsContact NE1-C 3.34Å; W393-G395 PolarHBondContact NE1-O 2.97Å; G395-W397 PolarHBondContact O-N 3.24Å; G395-S398 WeakPolarHBondContact O-CB 3.19Å; G395-S398 PolarHBondContact O-N 3.12Å; G395-S398 VanDerWaalsContact O-N 3.12Å; G395-S398 PolarHBondContact O-OG 2.76Å; G395-S401 PolarHBondContact O-OG 3.4Å
396	P	94.9	Very high	87.6	Confident	49 Å²	49	60.2 Å²	60.2	32%	0.318	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	137.8	175.9	-27.3	36.2	0	0	0	111.7	W393 S398	W393-P396 PolarHBondContact NE1-O 3.28Å; P396-S398 PolarHBondContact O-N 3.37Å
397	W	95.7	Very high	88.2	Confident	13 Å²	13	60.6 Å²	60.6	5%	0.049	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	2.9	-177.8	-50.7	97	0	0	0	116.6	V371 Y373 V378 L380 G395 S401 E403 W404 V407 W426	V371-W397 HydrophobicContact CG2-CH2 3.69Å; V371-W397 HydrophobicContact CG2-CZ2 4.32Å; V371-W397 HydrophobicContact CG2-CZ3 3.93Å; Y373-W397 HydrophobicContact CD1-CZ2 4.26Å; Y373-W397 AromaticContact CD2-CH2 3.76Å; Y373-W397 HydrophobicContact CD2-CH2 3.76Å; Y373-W397 HydrophobicContact CD2-CZ2 4.25Å; Y373-W397 HydrophobicContact CE2-CH2 4.49Å; Y373-W397 AromaticContact CG-CH2 3.78Å; Y373-W397 HydrophobicContact CG-CH2 3.78Å; Y373-W397 AromaticContact CG-CZ2 3.95Å; Y373-W397 HydrophobicContact CG-CZ2 3.95Å; V378-W397 HydrophobicContact CB-CZ2 4.25Å; V378-W397 HydrophobicContact CG1-CZ2 3.88Å; V378-W397 HydrophobicContact CG2-CZ2 4.38Å; L380-W397 HydrophobicContact CD1-CD2 4.07Å; L380-W397 HydrophobicContact CD1-CE3 3.78Å; L380-W397 HydrophobicContact CD1-CZ3 4.26Å; L380-W397 HydrophobicContact CD2-CB 4.22Å; L380-W397 HydrophobicContact CD2-CD2 3.54Å; L380-W397 HydrophobicContact CD2-CE3 4.11Å; L380-W397 HydrophobicContact CD2-CG 3.56Å; L380-W397 HydrophobicContact CD2-CZ2 4.45Å; L380-W397 HydrophobicContact CG-CD2 4.47Å; G395-W397 PolarHBondContact O-N 3.24Å; W397-S401 PolarHBondContact N-OG 3.5Å; W397-E403 HydrophobicContact CD2-CB 4.13Å; W397-E403 HydrophobicContact CE3-CB 4.05Å; W397-E403 HydrophobicContact CH2-CB 3.94Å; W397-E403 HydrophobicContact CZ2-CB 4.05Å; W397-E403 HydrophobicContact CZ2-CG 4.39Å; W397-E403 HydrophobicContact CZ3-CB 3.94Å; W397-W404 HydrophobicContact CB-CZ2 4.49Å; W397-W404 HydrophobicContact CE3-CD2 4.09Å; W397-W404 AromaticContact CE3-CE2 3.97Å; W397-W404 HydrophobicContact CE3-CE3 4.18Å; W397-W404 HydrophobicContact CE3-CH2 4.1Å; W397-W404 AromaticContact CE3-CZ2 3.99Å; W397-W404 HydrophobicContact CE3-CZ2 3.99Å; W397-W404 HydrophobicContact CE3-CZ3 4.19Å; W397-W404 HydrophobicContact CZ3-CD2 4.32Å; W397-W404 HydrophobicContact CZ3-CE3 4.07Å; W397-W404 HydrophobicContact CZ3-CZ3 4.18Å; W397-W404 PolarHBondContact O-NE1 2.91Å; W397-V407 HydrophobicContact CH2-CG2 3.73Å; W397-V407 HydrophobicContact CZ3-CG2 3.54Å; W397-W426 CarbonylContact C-O 3.24Å; W397-W426 VanDerWaalsContact C-O 3.24Å; W397-W426 HydrophobicContact CB-CB 4.47Å
398	S	93.8	Very high	88.9	Confident	14 Å²	14	63.4 Å²	63.4	10%	0.098	30%	0.304	C	S	.	.	S	Bend	trans	-53.5	165.1	165.1	59.2	0	0	0	0	112.5	W393 G395 P396 N400 S401 W404	W393-S398 WeakPolarHBondContact O-CB 3.15Å; G395-S398 WeakPolarHBondContact O-CB 3.19Å; G395-S398 PolarHBondContact O-N 3.12Å; G395-S398 VanDerWaalsContact O-N 3.12Å; G395-S398 PolarHBondContact O-OG 2.76Å; P396-S398 PolarHBondContact O-N 3.37Å; S398-N400 PolarHBondContact O-N 3.43Å; S398-N400 VanDerWaalsContact O-N 3.11Å; S398-S401 WeakPolarHBondContact O-CB 3.32Å; S398-S401 PolarHBondContact O-N 3.48Å; S398-S401 WeakPolarHBondContact OG-CB 3.19Å; S398-W404 PolarHBondContact O-NE1 3.39Å
399	D	90.8	Very high	90.1	Very high	7 Å²	7	66.6 Å²	66.6	4%	0.037	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.3	-170.6	-89.8	24.5	0	0	0	114.6	Y417 K420	D399-Y417 PolarHBondContact O-OH 3.02Å; D399-K420 VanDerWaalsContact OD2-C 3.32Å; D399-K420 PolarHBondContact OD2-N 3.06Å
400	N	90.4	Very high	91.4	Very high	133 Å²	133	68.6 Å²	68.6	71%	0.711	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	14.2	177.9	-65	-53.9	0	0	0	113.5	S398	S398-N400 PolarHBondContact O-N 3.43Å; S398-N400 VanDerWaalsContact O-N 3.11Å
401	S	93.7	Very high	92.6	Very high	10 Å²	10	60 Å²	60	7%	0.07	30%	0.302	C	S	.	.			trans	-64.6	141.1	-174.5	-146.7	0	0	0	0	112.5	G395 W397 S398 E403 W404	G395-S401 PolarHBondContact O-OG 3.4Å; W397-S401 PolarHBondContact N-OG 3.5Å; S398-S401 WeakPolarHBondContact O-CB 3.32Å; S398-S401 PolarHBondContact O-N 3.48Å; S398-S401 WeakPolarHBondContact OG-CB 3.19Å; S401-E403 WeakPolarHBondContact CB-OE2 3.08Å; S401-E403 PolarHBondContact O-N 3.27Å; S401-E403 PolarHBondContact OG-OE2 2.89Å; S401-W404 PolarHBondContact O-N 3.15Å
402	P	94.3	Very high	93.3	Very high	77 Å²	77	58.9 Å²	58.9	50%	0.5	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-62.5	-26.7	-178.6	24.6	-34.3	0	0	0	114	W404 K405	P402-W404 PolarHBondContact O-N 2.98Å; P402-K405 VanDerWaalsContact O-CB 3.23Å; P402-K405 WeakPolarHBondContact O-CB 3.21Å; P402-K405 WeakPolarHBondContact O-CG 3.34Å; P402-K405 PolarHBondContact O-N 2.92Å
403	E	94.8	Very high	93.6	Very high	34 Å²	34	66.4 Å²	66.4	16%	0.159	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-57.3	-32.7	179.6	-66	79.3	177.5	0	0	111.9	Y373 W397 S401 K405 D406	Y373-E403 HydrophobicContact CE2-CB 3.93Å; Y373-E403 HydrophobicContact CE2-CG 4.28Å; Y373-E403 WeakPolarHBondContact CE2-O 3.42Å; W397-E403 HydrophobicContact CD2-CB 4.13Å; W397-E403 HydrophobicContact CE3-CB 4.05Å; W397-E403 HydrophobicContact CH2-CB 3.94Å; W397-E403 HydrophobicContact CZ2-CB 4.05Å; W397-E403 HydrophobicContact CZ2-CG 4.39Å; W397-E403 HydrophobicContact CZ3-CB 3.94Å; S401-E403 WeakPolarHBondContact CB-OE2 3.08Å; S401-E403 PolarHBondContact O-N 3.27Å; S401-E403 PolarHBondContact OG-OE2 2.89Å; E403-K405 PolarHBondContact O-N 2.63Å; E403-K405 VanDerWaalsContact O-N 3.13Å; E403-D406 PolarHBondContact O-N 3.26Å
404	W	94.8	Very high	93.5	Very high	5 Å²	5	70 Å²	70	2%	0.019	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-61.7	-21.5	176.6	-70.9	118.1	0	0	0	112.9	V371 L380 W397 S398 S401 P402 D406 V407 K412 L415 Y417 W426	V371-W404 HydrophobicContact CG1-CZ3 4.37Å; L380-W404 HydrophobicContact CD1-CH2 3.67Å; L380-W404 HydrophobicContact CD1-CZ2 4.27Å; L380-W404 HydrophobicContact CD1-CZ3 4.34Å; W397-W404 HydrophobicContact CB-CZ2 4.49Å; W397-W404 HydrophobicContact CE3-CD2 4.09Å; W397-W404 AromaticContact CE3-CE2 3.97Å; W397-W404 HydrophobicContact CE3-CE3 4.18Å; W397-W404 HydrophobicContact CE3-CH2 4.1Å; W397-W404 AromaticContact CE3-CZ2 3.99Å; W397-W404 HydrophobicContact CE3-CZ2 3.99Å; W397-W404 HydrophobicContact CE3-CZ3 4.19Å; W397-W404 HydrophobicContact CZ3-CD2 4.32Å; W397-W404 HydrophobicContact CZ3-CE3 4.07Å; W397-W404 HydrophobicContact CZ3-CZ3 4.18Å; W397-W404 PolarHBondContact O-NE1 2.91Å; S398-W404 PolarHBondContact O-NE1 3.39Å; S401-W404 PolarHBondContact O-N 3.15Å; P402-W404 PolarHBondContact O-N 2.98Å; W404-D406 VanDerWaalsContact C-N 3.28Å; W404-D406 PolarHBondContact O-N 2.82Å; W404-V407 HydrophobicContact CE3-CB 4.26Å; W404-V407 HydrophobicContact CE3-CG1 4.47Å; W404-V407 HydrophobicContact CE3-CG2 4.3Å; W404-V407 HydrophobicContact CZ3-CG1 4.47Å; W404-V407 PolarHBondContact O-N 2.9Å; W404-K412 HydrophobicContact CE3-CG 4.3Å; W404-K412 HydrophobicContact CZ3-CG 4.46Å; W404-K412 WeakPolarHBondContact O-CE 3.34Å; W404-K412 PolarHBondContact O-NZ 2.79Å; W404-L415 HydrophobicContact CH2-CD1 4.02Å; W404-L415 HydrophobicContact CZ3-CD1 4.3Å; W404-Y417 AromaticContact CD1-CE2 3.81Å; W404-Y417 AromaticContact CD1-CZ 3.81Å; W404-Y417 HydrophobicContact CD2-CD2 4.08Å; W404-Y417 HydrophobicContact CD2-CE1 4.34Å; W404-Y417 AromaticContact CD2-CE2 3.78Å; W404-Y417 HydrophobicContact CD2-CE2 3.78Å; W404-Y417 HydrophobicContact CD2-CG 4.49Å; W404-Y417 AromaticContact CD2-CZ 3.89Å; W404-Y417 AromaticContact CE2-CD2 3.68Å; W404-Y417 AromaticContact CE2-CE2 3.43Å; W404-Y417 VanDerWaalsContact CE2-CE2 3.43Å; W404-Y417 HydrophobicContact CE3-CD2 4.38Å; W404-Y417 HydrophobicContact CE3-CE2 4.47Å; W404-Y417 HydrophobicContact CE3-CG 4.4Å; W404-Y417 HydrophobicContact CG-CE1 4.38Å; W404-Y417 HydrophobicContact CG-CE2 4.01Å; W404-Y417 AromaticContact CG-CZ 3.77Å; W404-Y417 AromaticContact CH2-CD2 3.97Å; W404-Y417 HydrophobicContact CH2-CD2 3.97Å; W404-Y417 HydrophobicContact CH2-CG 4.31Å; W404-Y417 AromaticContact CZ2-CD2 3.63Å; W404-Y417 HydrophobicContact CZ2-CD2 3.63Å; W404-Y417 AromaticContact CZ2-CE2 3.86Å; W404-Y417 HydrophobicContact CZ2-CE2 3.86Å; W404-Y417 HydrophobicContact CZ2-CG 4.39Å; W404-Y417 HydrophobicContact CZ3-CD2 4.33Å; W404-Y417 HydrophobicContact CZ3-CG 4.31Å; W404-Y417 AromaticContact NE1-CE2 3.45Å; W404-Y417 AromaticContact NE1-CZ 3.96Å; W404-W426 HydrophobicContact CH2-CB 4.42Å; W404-W426 HydrophobicContact CH2-CG 4.22Å; W404-W426 HydrophobicContact CZ2-CB 3.81Å; W404-W426 AromaticContact CZ2-CD1 3.96Å; W404-W426 AromaticContact CZ2-CG 3.95Å; W404-W426 HydrophobicContact CZ2-CG 3.95Å
405	K	92.7	Very high	93.5	Very high	172 Å²	172	63.8 Å²	63.8	75%	0.748	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-65.2	-32.4	179.5	-64.5	176.1	-178.3	175.5	0	112.4	P402 E403	P402-K405 VanDerWaalsContact O-CB 3.23Å; P402-K405 WeakPolarHBondContact O-CB 3.21Å; P402-K405 WeakPolarHBondContact O-CG 3.34Å; P402-K405 PolarHBondContact O-N 2.92Å; E403-K405 PolarHBondContact O-N 2.63Å; E403-K405 VanDerWaalsContact O-N 3.13Å
406	D	93.2	Very high	93.3	Very high	88 Å²	88	70 Å²	70	47%	0.471	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-94.4	0.3	-178.2	-59.6	-56.9	0	0	0	113.5	Y373 M374 E403 W404	Y373-D406 HydrophobicContact CD2-CB 3.94Å; Y373-D406 HydrophobicContact CE2-CB 3.74Å; M374-D406 VanDerWaalsContact CE-OD2 3.27Å; M374-D406 WeakPolarHBondContact CE-OD2 3.3Å; E403-D406 PolarHBondContact O-N 3.26Å; W404-D406 VanDerWaalsContact C-N 3.28Å; W404-D406 PolarHBondContact O-N 2.82Å
407	V	94.2	Very high	93	Very high	8 Å²	8	69.6 Å²	69.6	5%	0.048	35%	0.348	C	S	.	.	S	Bend	trans	-89.6	127.8	175.9	178.3	0	0	0	0	111.2	V371 Y373 W397 W404 D411 K412	V371-V407 HydrophobicContact CB-CG1 4.02Å; V371-V407 HydrophobicContact CB-CG2 4.25Å; V371-V407 HydrophobicContact CG1-CG1 3.93Å; V371-V407 HydrophobicContact CG2-CG2 4.33Å; Y373-V407 HydrophobicContact CD2-CG2 4.3Å; W397-V407 HydrophobicContact CH2-CG2 3.73Å; W397-V407 HydrophobicContact CZ3-CG2 3.54Å; W404-V407 HydrophobicContact CE3-CB 4.26Å; W404-V407 HydrophobicContact CE3-CG1 4.47Å; W404-V407 HydrophobicContact CE3-CG2 4.3Å; W404-V407 HydrophobicContact CZ3-CG1 4.47Å; W404-V407 PolarHBondContact O-N 2.9Å; V407-D411 HydrophobicContact CG1-CB 3.9Å; V407-K412 HydrophobicContact CG1-CG 3.99Å; V407-K412 WeakPolarHBondContact O-CE 3.25Å
408	K	93.4	Very high	92.5	Very high	138 Å²	138	76.1 Å²	76.1	60%	0.6	38%	0.377	S	S	*	.			trans	-60.1	142.9	178.4	-66.3	177.2	-179	171.5	0	111.3	K410 D411 K412	K408-K410 PolarHBondContact O-N 2.99Å; K408-D411 PolarHBondContact O-N 2.85Å; K408-K412 PolarHBondContact O-N 3.48Å
409	S	92.4	Very high	92.1	Very high	76 Å²	76	79.1 Å²	79.1	53%	0.531	40%	0.397	S	S	.	.	H	α-helix	trans	-58	-25.3	178.6	-44	0	0	0	0	113.7	R413	S409-R413 WeakPolarHBondContact O-CB 3.46Å; S409-R413 WeakPolarHBondContact O-CG 3.46Å; S409-R413 PolarHBondContact O-N 3.29Å
410	K	94.3	Very high	91.8	Very high	154 Å²	154	83.8 Å²	83.8	67%	0.67	42%	0.416	S	S	*	.	H	α-helix	trans	-59.8	-49.5	174.2	-179.1	-174.6	174.9	-174.7	0	111.2	K408 R413 A414	K408-K410 PolarHBondContact O-N 2.99Å; K410-R413 PolarHBondContact O-N 2.62Å; K410-A414 PolarHBondContact O-N 3.25Å
411	D	94.3	Very high	91.5	Very high	31 Å²	31	83.5 Å²	83.5	17%	0.166	41%	0.411	C	S	.	.	H	α-helix	trans	-71.8	-39.9	-176	-57.9	-9.5	0	0	0	109.8	V371 N372 V407 K408 R413 A414 L415	V371-D411 HydrophobicContact CB-CB 4.41Å; V371-D411 HydrophobicContact CG1-CB 4.04Å; N372-D411 PolarHBondContact N-OD2 3.2Å; N372-D411 VanDerWaalsContact N-OD2 3.11Å; V407-D411 HydrophobicContact CG1-CB 3.9Å; K408-D411 PolarHBondContact O-N 2.85Å; D411-R413 VanDerWaalsContact C-N 3.31Å; D411-R413 PolarHBondContact O-N 2.85Å; D411-A414 WeakPolarHBondContact O-CB 3.3Å; D411-A414 PolarHBondContact O-N 3.45Å; D411-A414 VanDerWaalsContact O-N 3.1Å; D411-L415 WeakPolarHBondContact O-CG 3.42Å; D411-L415 PolarHBondContact O-N 3.39Å
412	K	93.9	Very high	90.9	Very high	54 Å²	54	83.8 Å²	83.8	24%	0.235	41%	0.412	C	S	.	.	H	α-helix	trans	-55.8	-43.3	172.2	-66.9	-175.4	178.8	-178.6	0	112.9	W404 V407 K408 L415 Q416 Y417	W404-K412 HydrophobicContact CE3-CG 4.3Å; W404-K412 HydrophobicContact CZ3-CG 4.46Å; W404-K412 WeakPolarHBondContact O-CE 3.34Å; W404-K412 PolarHBondContact O-NZ 2.79Å; V407-K412 HydrophobicContact CG1-CG 3.99Å; V407-K412 WeakPolarHBondContact O-CE 3.25Å; K408-K412 PolarHBondContact O-N 3.48Å; K412-L415 PolarHBondContact O-N 3.17Å; K412-Q416 PolarHBondContact O-N 3.23Å; K412-Q416 VanDerWaalsContact O-N 3.1Å; K412-Y417 HydrophobicContact CB-CD1 4.27Å; K412-Y417 HydrophobicContact CD-CD1 3.97Å; K412-Y417 HydrophobicContact CD-CE1 4.26Å; K412-Y417 HydrophobicContact CG-CD1 4.13Å; K412-Y417 PolarHBondContact O-N 2.58Å
413	R	93.4	Very high	90.5	Very high	174 Å²	174	80.1 Å²	80.1	66%	0.657	39%	0.388	S	S	*	.	H	α-helix	trans	-66.1	-40.9	175.7	-76.2	-170.7	-59.7	-95.6	3.9	112	S409 K410 D411 L415 Q416	S409-R413 WeakPolarHBondContact O-CB 3.46Å; S409-R413 WeakPolarHBondContact O-CG 3.46Å; S409-R413 PolarHBondContact O-N 3.29Å; K410-R413 PolarHBondContact O-N 2.62Å; D411-R413 VanDerWaalsContact C-N 3.31Å; D411-R413 PolarHBondContact O-N 2.85Å; R413-L415 VanDerWaalsContact C-N 3.28Å; R413-L415 PolarHBondContact O-N 3.17Å; R413-Q416 PolarHBondContact O-N 2.62Å; R413-Q416 VanDerWaalsContact O-N 3.08Å
414	A	92	Very high	90.3	Very high	81 Å²	81	79.4 Å²	79.4	67%	0.669	38%	0.384	S	S	*	.	H	α-helix	trans	-61.9	-37.4	177.1	0	0	0	0	0	112	K410 D411 Q416	K410-A414 PolarHBondContact O-N 3.25Å; D411-A414 WeakPolarHBondContact O-CB 3.3Å; D411-A414 PolarHBondContact O-N 3.45Å; D411-A414 VanDerWaalsContact O-N 3.1Å; A414-Q416 VanDerWaalsContact C-N 3.3Å
415	L	92.2	Very high	90.2	Very high	16 Å²	16	79.2 Å²	79.2	8%	0.084	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-7.2	174.8	-63.9	-169.5	0	0	0	114.4	V371 L380 W404 D411 K412 R413 Y417 W426	V371-L415 HydrophobicContact CG1-CD1 3.46Å; V371-L415 VanDerWaalsContact CG1-CD1 3.46Å; V371-L415 HydrophobicContact CG1-CG 4.34Å; L380-L415 HydrophobicContact CD1-CD1 3.96Å; W404-L415 HydrophobicContact CH2-CD1 4.02Å; W404-L415 HydrophobicContact CZ3-CD1 4.3Å; D411-L415 WeakPolarHBondContact O-CG 3.42Å; D411-L415 PolarHBondContact O-N 3.39Å; K412-L415 PolarHBondContact O-N 3.17Å; R413-L415 VanDerWaalsContact C-N 3.28Å; R413-L415 PolarHBondContact O-N 3.17Å; L415-Y417 PolarHBondContact O-N 3.49Å; L415-W426 HydrophobicContact CB-CH2 4.27Å; L415-W426 HydrophobicContact CB-CZ2 3.75Å; L415-W426 HydrophobicContact CD1-CH2 4.37Å; L415-W426 HydrophobicContact CD1-CZ2 4.29Å; L415-W426 HydrophobicContact CD2-CH2 3.79Å; L415-W426 HydrophobicContact CD2-CZ2 4.17Å; L415-W426 HydrophobicContact CD2-CZ3 4.35Å; L415-W426 HydrophobicContact CG-CH2 4.36Å; L415-W426 HydrophobicContact CG-CZ2 4.29Å; L415-W426 WeakPolarHBondContact O-CZ2 3.36Å
416	Q	89.5	Confident	90.4	Very high	137 Å²	137	71.7 Å²	71.7	64%	0.64	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.4	-170	-51.1	177.5	15.9	0	0	112.6	K412 R413 A414 K418	K412-Q416 PolarHBondContact O-N 3.23Å; K412-Q416 VanDerWaalsContact O-N 3.1Å; R413-Q416 PolarHBondContact O-N 2.62Å; R413-Q416 VanDerWaalsContact O-N 3.08Å; A414-Q416 VanDerWaalsContact C-N 3.3Å; Q416-K418 PolarHBondContact O-N 2.83Å
417	Y	89.6	Confident	90.5	Very high	39 Å²	39	67.5 Å²	67.5	15%	0.153	33%	0.328	C	S	.	.			trans	-61.1	129.5	-179.8	164	-101.3	0	0	0	110.8	D399 W404 K412 L415 P419	D399-Y417 PolarHBondContact O-OH 3.02Å; W404-Y417 AromaticContact CD1-CE2 3.81Å; W404-Y417 AromaticContact CD1-CZ 3.81Å; W404-Y417 HydrophobicContact CD2-CD2 4.08Å; W404-Y417 HydrophobicContact CD2-CE1 4.34Å; W404-Y417 AromaticContact CD2-CE2 3.78Å; W404-Y417 HydrophobicContact CD2-CE2 3.78Å; W404-Y417 HydrophobicContact CD2-CG 4.49Å; W404-Y417 AromaticContact CD2-CZ 3.89Å; W404-Y417 AromaticContact CE2-CD2 3.68Å; W404-Y417 AromaticContact CE2-CE2 3.43Å; W404-Y417 VanDerWaalsContact CE2-CE2 3.43Å; W404-Y417 HydrophobicContact CE3-CD2 4.38Å; W404-Y417 HydrophobicContact CE3-CE2 4.47Å; W404-Y417 HydrophobicContact CE3-CG 4.4Å; W404-Y417 HydrophobicContact CG-CE1 4.38Å; W404-Y417 HydrophobicContact CG-CE2 4.01Å; W404-Y417 AromaticContact CG-CZ 3.77Å; W404-Y417 AromaticContact CH2-CD2 3.97Å; W404-Y417 HydrophobicContact CH2-CD2 3.97Å; W404-Y417 HydrophobicContact CH2-CG 4.31Å; W404-Y417 AromaticContact CZ2-CD2 3.63Å; W404-Y417 HydrophobicContact CZ2-CD2 3.63Å; W404-Y417 AromaticContact CZ2-CE2 3.86Å; W404-Y417 HydrophobicContact CZ2-CE2 3.86Å; W404-Y417 HydrophobicContact CZ2-CG 4.39Å; W404-Y417 HydrophobicContact CZ3-CD2 4.33Å; W404-Y417 HydrophobicContact CZ3-CG 4.31Å; W404-Y417 AromaticContact NE1-CE2 3.45Å; W404-Y417 AromaticContact NE1-CZ 3.96Å; K412-Y417 HydrophobicContact CB-CD1 4.27Å; K412-Y417 HydrophobicContact CD-CD1 3.97Å; K412-Y417 HydrophobicContact CD-CE1 4.26Å; K412-Y417 HydrophobicContact CG-CD1 4.13Å; K412-Y417 PolarHBondContact O-N 2.58Å; L415-Y417 PolarHBondContact O-N 3.49Å; Y417-P419 HydrophobicContact CE1-CG 4.45Å
418	K	85.2	Confident	90.7	Very high	150 Å²	150	67.8 Å²	67.8	65%	0.652	33%	0.331	S	S	*	.			trans	-135.1	120	175.6	-66.4	177.5	-176.2	176.1	0	107.3	Q416 K420	Q416-K418 PolarHBondContact O-N 2.83Å; K418-K420 PolarHBondContact O-N 2.94Å; K418-K420 VanDerWaalsContact O-N 3.1Å
419	P	85.1	Confident	90.8	Very high	78 Å²	78	62.5 Å²	62.5	51%	0.506	31%	0.308	S	S	.	.			trans	-76.3	93.8	174.2	29.2	-31	0	0	0	109.1	Y417	Y417-P419 HydrophobicContact CE1-CG 4.45Å
420	K	85.2	Confident	90.9	Very high	105 Å²	105	63.8 Å²	63.8	46%	0.457	31%	0.305	S	S	.	.			trans	-150.5	124.2	-178.5	-172.7	-167.3	173	-150.1	0	109.5	D399 K418 D422	D399-K420 VanDerWaalsContact OD2-C 3.32Å; D399-K420 PolarHBondContact OD2-N 3.06Å; K418-K420 PolarHBondContact O-N 2.94Å; K418-K420 VanDerWaalsContact O-N 3.1Å; K420-D422 HydrophobicContact CD-CB 4Å; K420-D422 HydrophobicContact CG-CB 4.25Å; K420-D422 PolarHBondContact O-N 2.76Å
421	E	82.5	Confident	91	Very high	127 Å²	127	57.5 Å²	57.5	59%	0.593	28%	0.279	S	S	*	.			trans	-63.6	94	167.9	-78.6	170.2	150.4	0	0	109.7	E389 E392	E389-E421 HydrophobicContact CB-CB 4.43Å; E389-E421 VanDerWaalsContact CG-O 3.26Å; E389-E421 WeakPolarHBondContact CG-O 3.27Å; E392-E421 VanDerWaalsContact OE1-CA 3.23Å; E392-E421 WeakPolarHBondContact OE1-CA 3.13Å
422	D	82.9	Confident	91	Very high	16 Å²	16	56 Å²	56	9%	0.086	27%	0.271	C	S	.	.	S	Bend	trans	-135.1	6.7	-177.9	79.2	14.7	0	0	0	113.9	F192 E392 K420 E424	F192-D422 HydrophobicContact CD1-CB 4.22Å; F192-D422 HydrophobicContact CE1-CB 3.52Å; F192-D422 VanDerWaalsContact CE1-O 3.31Å; F192-D422 WeakPolarHBondContact CE1-O 3.35Å; F192-D422 WeakPolarHBondContact CE1-OD2 3.23Å; F192-D422 HydrophobicContact CZ-CB 4.07Å; F192-D422 WeakPolarHBondContact CZ-OD2 3.41Å; E392-D422 PolarHBondContact OE1-N 3.24Å; K420-D422 HydrophobicContact CD-CB 4Å; K420-D422 HydrophobicContact CG-CB 4.25Å; K420-D422 PolarHBondContact O-N 2.76Å; D422-E424 VanDerWaalsContact C-N 3.33Å; D422-E424 VanDerWaalsContact OD1-CB 3.24Å; D422-E424 WeakPolarHBondContact OD1-CB 3.37Å; D422-E424 PolarHBondContact OD1-N 3.4Å
423	G	85	Confident	91	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	87.4	-11	-175.6	0	0	0	0	0	113.8	R384 N385 G388 E392	R384-G423 CarbonylContact C-O 3.56Å; R384-G423 VanDerWaalsContact CA-O 3.3Å; R384-G423 WeakPolarHBondContact CA-O 3.24Å; N385-G423 PolarHBondContact N-O 3.49Å; G388-G423 WeakPolarHBondContact O-CA 3.39Å; E392-G423 WeakPolarHBondContact OE1-CA 3.36Å; E392-G423 PolarHBondContact OE1-N 3.2Å
424	E	89.7	Confident	91	Very high	18 Å²	18	50 Å²	50	8%	0.084	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.5	176.8	-173.2	169.3	-110.7	0	0	111.7	R191 T366 R382 C383 R384 D422	R191-E424 IonicContact CZ-OE1 2.86Å; R191-E424 IonicContact CZ-OE2 3.56Å; R191-E424 IonicContact NH1-OE1 2.88Å; R191-E424 PolarHBondContact NH1-OE1 3.27Å; R191-E424 IonicContact NH1-OE2 3.06Å; R191-E424 PolarHBondContact NH1-OE2 2.99Å; R191-E424 VanDerWaalsContact NH2-CD 3.32Å; R191-E424 IonicContact NH2-OE1 3.65Å; R191-E424 IonicContact NH2-OE2 2.68Å; R191-E424 PolarHBondContact NH2-OE2 3.28Å; T366-E424 VanDerWaalsContact CB-OE1 3.31Å; T366-E424 WeakPolarHBondContact CB-OE1 3.34Å; T366-E424 WeakPolarHBondContact CG2-OE1 3.17Å; T366-E424 PolarHBondContact OG1-OE1 3.46Å; R382-E424 WeakPolarHBondContact CD-OE2 3.27Å; R382-E424 HydrophobicContact CG-CG 3.56Å; R382-E424 IonicContact CZ-OE1 3.1Å; R382-E424 IonicContact CZ-OE2 2.78Å; R382-E424 IonicContact NE-OE1 3.85Å; R382-E424 PolarHBondContact NE-OE1 2.95Å; R382-E424 IonicContact NE-OE2 3.59Å; R382-E424 IonicContact NH1-OE2 2.65Å; R382-E424 PolarHBondContact NH1-OE2 3.27Å; C383-E424 CarbonylContact O-C 3.56Å; C383-E424 WeakPolarHBondContact O-CA 3.39Å; R384-E424 HydrophobicContact CB-CB 4.29Å; R384-E424 HydrophobicContact CB-CG 4.47Å; R384-E424 HydrophobicContact CG-CB 4.34Å; D422-E424 VanDerWaalsContact C-N 3.33Å; D422-E424 VanDerWaalsContact OD1-CB 3.24Å; D422-E424 WeakPolarHBondContact OD1-CB 3.37Å; D422-E424 PolarHBondContact OD1-N 3.4Å
425	F	93.7	Very high	91	Very high	2 Å²	2	47 Å²	47	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	159.1	-177.9	54.8	-95.9	0	0	0	111.5	L357 Y363 R382 C383 E392 W393 M427	L357-F425 HydrophobicContact CD2-CE2 4.27Å; L357-F425 HydrophobicContact CD2-CZ 3.84Å; Y363-F425 HydrophobicContact CD1-CE1 4.24Å; Y363-F425 AromaticContact CD1-CZ 3.99Å; Y363-F425 HydrophobicContact CD1-CZ 3.99Å; Y363-F425 HydrophobicContact CE1-CE1 4.21Å; Y363-F425 HydrophobicContact CE1-CZ 4.02Å; R382-F425 WeakPolarHBondContact CA-O 3.37Å; C383-F425 HydrophobicContact CB-CD2 4.23Å; C383-F425 HydrophobicContact CB-CE1 4.45Å; C383-F425 HydrophobicContact CB-CE2 3.59Å; C383-F425 HydrophobicContact CB-CZ 3.73Å; C383-F425 PolarHBondContact N-O 2.93Å; C383-F425 PolarHBondContact O-N 3.4Å; E392-F425 HydrophobicContact CB-CD1 4.1Å; E392-F425 HydrophobicContact CG-CD1 4.21Å; W393-F425 HydrophobicContact CB-CB 4.1Å; W393-F425 HydrophobicContact CB-CD1 4.1Å; W393-F425 HydrophobicContact CB-CD2 3.2Å; W393-F425 HydrophobicContact CB-CE1 4.33Å; W393-F425 HydrophobicContact CB-CE2 3.48Å; W393-F425 VanDerWaalsContact CB-CE2 3.48Å; W393-F425 HydrophobicContact CB-CG 3.53Å; W393-F425 HydrophobicContact CB-CZ 4.04Å; W393-F425 AromaticContact CG-CD2 3.97Å; W393-F425 HydrophobicContact CG-CD2 3.97Å; W393-F425 HydrophobicContact CG-CE2 4.24Å; F425-M427 HydrophobicContact CE2-SD 4.24Å
426	W	96.1	Very high	91.2	Very high	13 Å²	13	46.5 Å²	46.5	5%	0.049	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	147.6	169.1	-70.8	93.4	0	0	0	110.8	L380 V381 R382 W393 W397 W404 L415	L380-W426 HydrophobicContact CB-CD2 4.47Å; L380-W426 HydrophobicContact CB-CE3 3.53Å; L380-W426 HydrophobicContact CB-CZ3 3.99Å; L380-W426 HydrophobicContact CD1-CE3 4.46Å; V381-W426 WeakPolarHBondContact O-CA 3.4Å; R382-W426 HydrophobicContact CB-CD2 3.85Å; R382-W426 HydrophobicContact CB-CE3 3.71Å; R382-W426 HydrophobicContact CB-CH2 3.76Å; R382-W426 HydrophobicContact CB-CZ2 3.86Å; R382-W426 HydrophobicContact CB-CZ3 3.68Å; R382-W426 HydrophobicContact CG-CD2 4.09Å; R382-W426 HydrophobicContact CG-CE3 4.45Å; R382-W426 HydrophobicContact CG-CZ2 4.11Å; W393-W426 VanDerWaalsContact CD1-O 3.28Å; W397-W426 CarbonylContact C-O 3.24Å; W397-W426 VanDerWaalsContact C-O 3.24Å; W397-W426 HydrophobicContact CB-CB 4.47Å; W404-W426 HydrophobicContact CH2-CB 4.42Å; W404-W426 HydrophobicContact CH2-CG 4.22Å; W404-W426 HydrophobicContact CZ2-CB 3.81Å; W404-W426 AromaticContact CZ2-CD1 3.96Å; W404-W426 AromaticContact CZ2-CG 3.95Å; W404-W426 HydrophobicContact CZ2-CG 3.95Å; L415-W426 HydrophobicContact CB-CH2 4.27Å; L415-W426 HydrophobicContact CB-CZ2 3.75Å; L415-W426 HydrophobicContact CD1-CH2 4.37Å; L415-W426 HydrophobicContact CD1-CZ2 4.29Å; L415-W426 HydrophobicContact CD2-CH2 3.79Å; L415-W426 HydrophobicContact CD2-CZ2 4.17Å; L415-W426 HydrophobicContact CD2-CZ3 4.35Å; L415-W426 HydrophobicContact CG-CH2 4.36Å; L415-W426 HydrophobicContact CG-CZ2 4.29Å; L415-W426 WeakPolarHBondContact O-CZ2 3.36Å
427	M	96.7	Very high	91.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	163.5	170.2	69.5	-169.8	-45.7	0	0	110.4	L357 L380 V381 W393 F425 D431 F432 Y435 F436	L357-M427 HydrophobicContact CD1-CE 4.1Å; L380-M427 CarbonylContact C-O 3.57Å; L380-M427 VanDerWaalsContact CA-O 3.23Å; L380-M427 WeakPolarHBondContact CA-O 3.44Å; V381-M427 PolarHBondContact N-O 3.03Å; V381-M427 PolarHBondContact O-N 3.47Å; W393-M427 HydrophobicContact CD2-CB 4.5Å; W393-M427 HydrophobicContact CD2-CE 4.19Å; W393-M427 HydrophobicContact CE3-CE 4.21Å; W393-M427 HydrophobicContact CG-CB 4.44Å; W393-M427 HydrophobicContact CH2-CE 4.06Å; W393-M427 HydrophobicContact CZ2-CE 4.07Å; W393-M427 HydrophobicContact CZ3-CE 4.13Å; F425-M427 HydrophobicContact CE2-SD 4.24Å; M427-D431 HydrophobicContact CE-CB 3.67Å; M427-F432 HydrophobicContact CG-CB 4.24Å; M427-F432 HydrophobicContact SD-CB 4.09Å; M427-F432 HydrophobicContact SD-CD2 4.19Å; M427-Y435 HydrophobicContact CE-CD2 4.38Å; M427-F436 HydrophobicContact CE-CE2 4.21Å; M427-F436 HydrophobicContact SD-CD2 4.41Å; M427-F436 HydrophobicContact SD-CE2 3.64Å
428	S	96.9	Very high	91.6	Very high	15 Å²	15	41.8 Å²	41.8	11%	0.105	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	147.4	174.4	81.5	0	0	0	0	110.7	Q430 D431 F432	S428-Q430 PolarHBondContact O-N 2.94Å; S428-D431 WeakPolarHBondContact CB-OD2 3.11Å; S428-D431 PolarHBondContact O-N 3.26Å; S428-D431 VanDerWaalsContact O-N 3.16Å; S428-D431 WeakPolarHBondContact OG-CB 3.38Å; S428-D431 PolarHBondContact OG-N 3.37Å; S428-D431 PolarHBondContact OG-OD2 2.88Å; S428-F432 PolarHBondContact O-N 3.36Å
429	F	96.8	Very high	92.1	Very high	27 Å²	27	34.7 Å²	34.7	12%	0.118	18%	0.176	C	C	.	.	H	α-helix	trans	-57.5	-33.5	173.6	177	-103.2	0	0	0	111.9	L326 L327 M330 Y379 V381 F432 E433	L326-F429 HydrophobicContact CB-CZ 4.1Å; L326-F429 HydrophobicContact CD2-CE2 4.07Å; L326-F429 HydrophobicContact CD2-CZ 3.85Å; L326-F429 HydrophobicContact CG-CE2 4.08Å; L326-F429 HydrophobicContact CG-CZ 3.93Å; L327-F429 HydrophobicContact CB-CD1 4.45Å; L327-F429 HydrophobicContact CB-CD2 4.48Å; L327-F429 HydrophobicContact CB-CE1 3.94Å; L327-F429 HydrophobicContact CB-CE2 3.98Å; L327-F429 HydrophobicContact CB-CZ 3.69Å; L327-F429 HydrophobicContact CD1-CD2 3.85Å; L327-F429 HydrophobicContact CD1-CE2 4.11Å; L327-F429 HydrophobicContact CD1-CG 4.07Å; M330-F429 HydrophobicContact SD-CD2 4.36Å; M330-F429 HydrophobicContact SD-CE2 3.79Å; Y379-F429 WeakPolarHBondContact O-CB 3.44Å; Y379-F429 PolarHBondContact O-N 2.8Å; V381-F429 HydrophobicContact CG2-CB 4.39Å; V381-F429 HydrophobicContact CG2-CD2 3.91Å; F429-F432 WeakPolarHBondContact O-CB 3.47Å; F429-F432 PolarHBondContact O-N 3.5Å; F429-E433 HydrophobicContact CD1-CG 4.35Å; F429-E433 HydrophobicContact CE1-CG 3.85Å; F429-E433 VanDerWaalsContact CE1-OE1 3.28Å; F429-E433 WeakPolarHBondContact CE1-OE1 3.3Å; F429-E433 HydrophobicContact CE2-CG 4.28Å; F429-E433 HydrophobicContact CZ-CG 3.81Å; F429-E433 WeakPolarHBondContact CZ-OE1 3.35Å; F429-E433 WeakPolarHBondContact O-CB 3.49Å; F429-E433 WeakPolarHBondContact O-CG 3.27Å; F429-E433 PolarHBondContact O-N 3.21Å
430	Q	94.6	Very high	92.6	Very high	103 Å²	103	31 Å²	31	48%	0.481	15%	0.152	S	C	.	.	H	α-helix	trans	-65.2	-45	175.8	-174.5	60.8	61.1	0	0	112.1	S428 F432 E433 D434	S428-Q430 PolarHBondContact O-N 2.94Å; Q430-F432 VanDerWaalsContact C-N 3.33Å; Q430-E433 WeakPolarHBondContact O-CB 3.39Å; Q430-E433 PolarHBondContact O-N 2.82Å; Q430-D434 PolarHBondContact NE2-OD1 3.41Å; Q430-D434 PolarHBondContact NE2-OD2 3.13Å; Q430-D434 VanDerWaalsContact NE2-OD2 3.12Å; Q430-D434 WeakPolarHBondContact O-CB 3.44Å; Q430-D434 VanDerWaalsContact O-CG 3.32Å; Q430-D434 PolarHBondContact O-N 3.34Å
431	D	95.3	Very high	93.1	Very high	21 Å²	21	26 Å²	26	11%	0.112	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-39.2	176.3	-66.3	-52.8	0	0	0	110.9	W393 M427 S428 E433 D434 Y435	W393-D431 HydrophobicContact CH2-CB 4.24Å; W393-D431 HydrophobicContact CZ2-CB 4.07Å; M427-D431 HydrophobicContact CE-CB 3.67Å; S428-D431 WeakPolarHBondContact CB-OD2 3.11Å; S428-D431 PolarHBondContact O-N 3.26Å; S428-D431 VanDerWaalsContact O-N 3.16Å; S428-D431 WeakPolarHBondContact OG-CB 3.38Å; S428-D431 PolarHBondContact OG-N 3.37Å; S428-D431 PolarHBondContact OG-OD2 2.88Å; D431-E433 VanDerWaalsContact C-N 3.31Å; D431-E433 PolarHBondContact O-N 2.86Å; D431-D434 PolarHBondContact O-N 2.92Å; D431-Y435 HydrophobicContact CB-CD2 4.01Å; D431-Y435 HydrophobicContact CB-CE2 4.07Å; D431-Y435 WeakPolarHBondContact O-CB 3.29Å; D431-Y435 WeakPolarHBondContact O-CD2 3.11Å; D431-Y435 PolarHBondContact O-N 2.86Å
432	F	95.9	Very high	93.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-56.6	-49.1	174.2	179.4	-95	0	0	0	110.6	L317 M330 A342 V365 V381 M427 S428 F429 Q430 D434 Y435 F436 L439	L317-F432 HydrophobicContact CD1-CE1 3.77Å; L317-F432 HydrophobicContact CD1-CZ 4.1Å; M330-F432 HydrophobicContact CE-CD1 4.44Å; M330-F432 HydrophobicContact CE-CE1 3.89Å; M330-F432 HydrophobicContact CE-CZ 4.09Å; M330-F432 HydrophobicContact SD-CE1 4.1Å; A342-F432 HydrophobicContact CB-CE2 3.75Å; A342-F432 HydrophobicContact CB-CZ 3.73Å; V365-F432 HydrophobicContact CG2-CE2 3.97Å; V365-F432 HydrophobicContact CG2-CZ 4.16Å; V381-F432 HydrophobicContact CB-CB 4.33Å; V381-F432 HydrophobicContact CB-CD2 4.22Å; V381-F432 HydrophobicContact CB-CG 4.24Å; V381-F432 HydrophobicContact CG1-CD2 3.85Å; V381-F432 HydrophobicContact CG1-CE2 4.06Å; V381-F432 HydrophobicContact CG1-CG 4.24Å; V381-F432 HydrophobicContact CG2-CB 4.09Å; V381-F432 HydrophobicContact CG2-CD1 4.35Å; V381-F432 HydrophobicContact CG2-CD2 4.48Å; V381-F432 HydrophobicContact CG2-CG 4.05Å; M427-F432 HydrophobicContact CG-CB 4.24Å; M427-F432 HydrophobicContact SD-CB 4.09Å; M427-F432 HydrophobicContact SD-CD2 4.19Å; S428-F432 PolarHBondContact O-N 3.36Å; F429-F432 WeakPolarHBondContact O-CB 3.47Å; F429-F432 PolarHBondContact O-N 3.5Å; Q430-F432 VanDerWaalsContact C-N 3.33Å; F432-D434 VanDerWaalsContact C-N 3.33Å; F432-D434 PolarHBondContact O-N 2.54Å; F432-Y435 PolarHBondContact O-N 2.94Å; F432-F436 HydrophobicContact CD2-CB 4.48Å; F432-F436 AromaticContact CD2-CD2 3.45Å; F432-F436 HydrophobicContact CD2-CD2 3.45Å; F432-F436 VanDerWaalsContact CD2-CD2 3.45Å; F432-F436 AromaticContact CD2-CE2 3.72Å; F432-F436 HydrophobicContact CD2-CE2 3.72Å; F432-F436 AromaticContact CD2-CG 3.91Å; F432-F436 HydrophobicContact CD2-CG 3.91Å; F432-F436 HydrophobicContact CD2-CZ 4.36Å; F432-F436 HydrophobicContact CE2-CB 4.24Å; F432-F436 HydrophobicContact CE2-CD1 4.04Å; F432-F436 AromaticContact CE2-CD2 3.76Å; F432-F436 HydrophobicContact CE2-CD2 3.76Å; F432-F436 HydrophobicContact CE2-CE1 4.32Å; F432-F436 HydrophobicContact CE2-CE2 4.08Å; F432-F436 AromaticContact CE2-CG 3.73Å; F432-F436 HydrophobicContact CE2-CG 3.73Å; F432-F436 HydrophobicContact CE2-CZ 4.35Å; F432-F436 HydrophobicContact CG-CD2 4.1Å; F432-F436 HydrophobicContact CZ-CB 4.33Å; F432-F436 HydrophobicContact CZ-CG 4.28Å; F432-F436 WeakPolarHBondContact O-CB 3.39Å; F432-F436 WeakPolarHBondContact O-CD2 3.39Å; F432-F436 PolarHBondContact O-N 2.99Å; F432-L439 HydrophobicContact CZ-CD1 4.5Å
433	E	93.6	Very high	94.2	Very high	27 Å²	27	19.6 Å²	19.6	13%	0.126	10%	0.1	C	C	.	.	H	α-helix	trans	-60.3	-37.6	175.1	-84.2	-167.4	143	0	0	113.8	R322 L326 F429 Q430 D431	R322-E433 WeakPolarHBondContact CD-OE1 3.44Å; R322-E433 IonicContact CZ-OE1 3.8Å; R322-E433 IonicContact NE-OE1 3.77Å; R322-E433 VanDerWaalsContact NH1-CB 3.33Å; R322-E433 IonicContact NH1-OE1 3.18Å; R322-E433 PolarHBondContact NH1-OE1 2.93Å; R322-E433 IonicContact NH1-OE2 3.1Å; R322-E433 PolarHBondContact NH1-OE2 2.92Å; R322-E433 VanDerWaalsContact NH1-OE2 3.1Å; R322-E433 PolarHBondContact NH2-O 3.14Å; L326-E433 HydrophobicContact CD2-CG 4.15Å; F429-E433 HydrophobicContact CD1-CG 4.35Å; F429-E433 HydrophobicContact CE1-CG 3.85Å; F429-E433 VanDerWaalsContact CE1-OE1 3.28Å; F429-E433 WeakPolarHBondContact CE1-OE1 3.3Å; F429-E433 HydrophobicContact CE2-CG 4.28Å; F429-E433 HydrophobicContact CZ-CG 3.81Å; F429-E433 WeakPolarHBondContact CZ-OE1 3.35Å; F429-E433 WeakPolarHBondContact O-CB 3.49Å; F429-E433 WeakPolarHBondContact O-CG 3.27Å; F429-E433 PolarHBondContact O-N 3.21Å; Q430-E433 WeakPolarHBondContact O-CB 3.39Å; Q430-E433 PolarHBondContact O-N 2.82Å; D431-E433 VanDerWaalsContact C-N 3.31Å; D431-E433 PolarHBondContact O-N 2.86Å
434	D	91.9	Very high	94.5	Very high	75 Å²	75	19.6 Å²	19.6	40%	0.401	10%	0.1	S	C	.	.	H	α-helix	trans	-80.1	-26.1	-176.1	-73.7	-31.8	0	0	0	113.1	Q430 D431 F432	Q430-D434 PolarHBondContact NE2-OD1 3.41Å; Q430-D434 PolarHBondContact NE2-OD2 3.13Å; Q430-D434 VanDerWaalsContact NE2-OD2 3.12Å; Q430-D434 WeakPolarHBondContact O-CB 3.44Å; Q430-D434 VanDerWaalsContact O-CG 3.32Å; Q430-D434 PolarHBondContact O-N 3.34Å; D431-D434 PolarHBondContact O-N 2.92Å; F432-D434 VanDerWaalsContact C-N 3.33Å; F432-D434 PolarHBondContact O-N 2.54Å
435	Y	93.7	Very high	94.4	Very high	17 Å²	17	18.8 Å²	18.8	7%	0.067	10%	0.096	C	C	.	.	H	α-helix	trans	-109	-25.6	-173.4	-63.9	-56.3	0	0	0	115.5	R351 R352 L355 L357 W393 M427 D431 F432	R351-Y435 PolarHBondContact NE-OH 2.78Å; R352-Y435 HydrophobicContact CB-CD1 3.69Å; R352-Y435 HydrophobicContact CB-CE1 3.86Å; R352-Y435 HydrophobicContact CG-CD1 3.71Å; R352-Y435 HydrophobicContact CG-CE1 4.33Å; R352-Y435 HydrophobicContact CG-CG 4.14Å; L355-Y435 HydrophobicContact CD1-CE2 4.31Å; L357-Y435 HydrophobicContact CD1-CD2 4.23Å; L357-Y435 HydrophobicContact CD1-CG 4.09Å; W393-Y435 AromaticContact CH2-CD2 3.9Å; W393-Y435 HydrophobicContact CH2-CD2 3.9Å; W393-Y435 AromaticContact CH2-CE2 3.61Å; W393-Y435 HydrophobicContact CH2-CE2 3.61Å; W393-Y435 HydrophobicContact CZ3-CD2 4.15Å; W393-Y435 HydrophobicContact CZ3-CE2 4.15Å; M427-Y435 HydrophobicContact CE-CD2 4.38Å; D431-Y435 HydrophobicContact CB-CD2 4.01Å; D431-Y435 HydrophobicContact CB-CE2 4.07Å; D431-Y435 WeakPolarHBondContact O-CB 3.29Å; D431-Y435 WeakPolarHBondContact O-CD2 3.11Å; D431-Y435 PolarHBondContact O-N 2.86Å; F432-Y435 PolarHBondContact O-N 2.94Å
436	F	94.9	Very high	93.8	Very high	7 Å²	7	22.5 Å²	22.5	3%	0.031	11%	0.111	C	C	.	.			trans	-92.4	142.9	177.2	-71.7	-99.3	0	0	0	111.3	L317 A342 V344 L357 Y363 M427 F432	L317-F436 WeakPolarHBondContact CB-O 3.34Å; L317-F436 HydrophobicContact CD1-CB 3.71Å; A342-F436 HydrophobicContact CB-CD1 3.39Å; A342-F436 HydrophobicContact CB-CE1 3.76Å; A342-F436 HydrophobicContact CB-CG 4.22Å; V344-F436 HydrophobicContact CG2-CD1 3.82Å; V344-F436 HydrophobicContact CG2-CE1 3.66Å; V344-F436 HydrophobicContact CG2-CE2 4.4Å; V344-F436 HydrophobicContact CG2-CG 4.29Å; V344-F436 HydrophobicContact CG2-CZ 3.97Å; L357-F436 HydrophobicContact CD1-CE2 4.24Å; L357-F436 HydrophobicContact CD2-CZ 4.39Å; Y363-F436 AromaticContact CD2-CE1 3.64Å; Y363-F436 HydrophobicContact CD2-CE1 3.64Å; Y363-F436 HydrophobicContact CD2-CZ 4.05Å; Y363-F436 HydrophobicContact CE2-CE1 4.38Å; Y363-F436 AromaticContact CG-CE1 3.95Å; Y363-F436 HydrophobicContact CG-CE1 3.95Å; Y363-F436 HydrophobicContact CG-CZ 4.12Å; M427-F436 HydrophobicContact CE-CE2 4.21Å; M427-F436 HydrophobicContact SD-CD2 4.41Å; M427-F436 HydrophobicContact SD-CE2 3.64Å; F432-F436 HydrophobicContact CD2-CB 4.48Å; F432-F436 AromaticContact CD2-CD2 3.45Å; F432-F436 HydrophobicContact CD2-CD2 3.45Å; F432-F436 VanDerWaalsContact CD2-CD2 3.45Å; F432-F436 AromaticContact CD2-CE2 3.72Å; F432-F436 HydrophobicContact CD2-CE2 3.72Å; F432-F436 AromaticContact CD2-CG 3.91Å; F432-F436 HydrophobicContact CD2-CG 3.91Å; F432-F436 HydrophobicContact CD2-CZ 4.36Å; F432-F436 HydrophobicContact CE2-CB 4.24Å; F432-F436 HydrophobicContact CE2-CD1 4.04Å; F432-F436 AromaticContact CE2-CD2 3.76Å; F432-F436 HydrophobicContact CE2-CD2 3.76Å; F432-F436 HydrophobicContact CE2-CE1 4.32Å; F432-F436 HydrophobicContact CE2-CE2 4.08Å; F432-F436 AromaticContact CE2-CG 3.73Å; F432-F436 HydrophobicContact CE2-CG 3.73Å; F432-F436 HydrophobicContact CE2-CZ 4.35Å; F432-F436 HydrophobicContact CG-CD2 4.1Å; F432-F436 HydrophobicContact CZ-CB 4.33Å; F432-F436 HydrophobicContact CZ-CG 4.28Å; F432-F436 WeakPolarHBondContact O-CB 3.39Å; F432-F436 WeakPolarHBondContact O-CD2 3.39Å; F432-F436 PolarHBondContact O-N 2.99Å
437	S	93.6	Very high	93	Very high	41 Å²	41	22.3 Å²	22.3	29%	0.287	11%	0.112	S	C	.	.			trans	-101.5	-30	-178.3	48.2	0	0	0	0	113.4	L317 D343 G345	L317-S437 WeakPolarHBondContact CB-O 3.27Å; L317-S437 PolarHBondContact N-O 2.8Å; D343-S437 PolarHBondContact O-N 2.8Å; D343-S437 PolarHBondContact O-OG 3.48Å; D343-S437 VanDerWaalsContact O-OG 3.07Å; G345-S437 WeakPolarHBondContact CA-OG 3.5Å; G345-S437 PolarHBondContact N-OG 2.76Å
438	L	94.6	Very high	92.3	Very high	36 Å²	36	22.3 Å²	22.3	19%	0.188	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145	-176.3	-60.7	172.4	0	0	0	110	T314 L315 I316 A342 D343	T314-L438 HydrophobicContact CG2-CB 4.49Å; T314-L438 HydrophobicContact CG2-CD2 3.89Å; L315-L438 WeakPolarHBondContact O-CA 3.32Å; I316-L438 HydrophobicContact CG1-CD2 4.15Å; A342-L438 VanDerWaalsContact CA-O 3.23Å; A342-L438 WeakPolarHBondContact CA-O 3.43Å; A342-L438 WeakPolarHBondContact CB-O 2.99Å; D343-L438 HydrophobicContact CB-CB 4.3Å; D343-L438 PolarHBondContact N-O 2.93Å; D343-L438 PolarHBondContact O-N 2.92Å
439	L	95.9	Very high	91.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.7	165	170.8	66.6	0	0	0	107.6	L315 L317 L326 M330 M340 G341 A342 V365 F432 V441	L315-L439 HydrophobicContact CB-CB 4.28Å; L315-L439 HydrophobicContact CD1-CD2 4.06Å; L315-L439 PolarHBondContact N-O 3.06Å; L315-L439 PolarHBondContact O-N 2.77Å; L317-L439 HydrophobicContact CD1-CB 4.08Å; L317-L439 HydrophobicContact CD2-CB 4.09Å; L317-L439 HydrophobicContact CG-CB 4.26Å; L326-L439 HydrophobicContact CD1-CD2 4.02Å; M330-L439 HydrophobicContact CE-CD2 4.25Å; M330-L439 HydrophobicContact CG-CD2 3.79Å; M330-L439 HydrophobicContact SD-CD2 4.09Å; M340-L439 HydrophobicContact CB-CD1 4.22Å; G341-L439 CarbonylContact O-C 3.43Å; G341-L439 WeakPolarHBondContact O-CA 3.41Å; G341-L439 WeakPolarHBondContact O-CD1 3.31Å; A342-L439 HydrophobicContact CB-CD1 4.4Å; V365-L439 HydrophobicContact CG2-CD1 4.15Å; F432-L439 HydrophobicContact CZ-CD1 4.5Å; L439-V441 HydrophobicContact CD1-CG2 4.5Å; L439-V441 HydrophobicContact CD2-CG2 4.43Å; L439-V441 HydrophobicContact CG-CG2 4.04Å
440	E	95.6	Very high	89.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133	174.7	-61	-168.8	120	0	0	109.9	Q300 S301 T313 T314 M340 G341	Q300-E440 VanDerWaalsContact CA-OE2 3.28Å; Q300-E440 WeakPolarHBondContact CA-OE2 3.39Å; Q300-E440 WeakPolarHBondContact CB-OE2 3.45Å; Q300-E440 PolarHBondContact N-OE2 3.34Å; S301-E440 VanDerWaalsContact CB-OE1 3.25Å; S301-E440 WeakPolarHBondContact CB-OE1 3.48Å; S301-E440 PolarHBondContact N-OE2 3.46Å; S301-E440 PolarHBondContact OG-OE1 3.28Å; T313-E440 CarbonylContact O-C 3.47Å; T313-E440 VanDerWaalsContact O-CA 3.3Å; T313-E440 WeakPolarHBondContact O-CA 3.21Å; T314-E440 HydrophobicContact CG2-CG 4.22Å; M340-E440 WeakPolarHBondContact CA-O 3.33Å; G341-E440 PolarHBondContact N-O 3.29Å; G341-E440 PolarHBondContact O-N 3.27Å
441	V	95.2	Very high	88.1	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.9	-176.3	-171.4	0	0	0	0	108.9	C312 T313 Y333 C338 V339 M340 L439 H443	C312-V441 CarbonylContact C-O 3.59Å; C312-V441 VanDerWaalsContact CA-O 3.29Å; C312-V441 WeakPolarHBondContact CA-O 3.14Å; T313-V441 PolarHBondContact N-O 3.09Å; T313-V441 PolarHBondContact O-N 3.47Å; Y333-V441 HydrophobicContact CD1-CG1 4.15Å; Y333-V441 HydrophobicContact CD2-CG1 4.03Å; Y333-V441 HydrophobicContact CD2-CG2 3.83Å; Y333-V441 HydrophobicContact CE1-CG1 4.36Å; Y333-V441 HydrophobicContact CE2-CB 4.42Å; Y333-V441 HydrophobicContact CE2-CG1 4.22Å; Y333-V441 HydrophobicContact CE2-CG2 3.66Å; Y333-V441 HydrophobicContact CG-CG1 4Å; C338-V441 HydrophobicContact CB-CG1 4.06Å; V339-V441 CarbonylContact O-C 3.59Å; V339-V441 WeakPolarHBondContact O-CA 3.37Å; M340-V441 HydrophobicContact CG-CG1 4.12Å; M340-V441 HydrophobicContact CG-CG2 4.19Å; L439-V441 HydrophobicContact CD1-CG2 4.5Å; L439-V441 HydrophobicContact CD2-CG2 4.43Å; L439-V441 HydrophobicContact CG-CG2 4.04Å; V441-H443 WeakPolarHBondContact CG1-NE2 3.38Å
442	C	95	Very high	86.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	114.9	178.3	-173.6	0	0	0	0	111	M304 T308 I311 C312 C338 V339	M304-C442 HydrophobicContact CB-CB 3.62Å; M304-C442 HydrophobicContact CG-CB 4.09Å; M304-C442 HydrophobicContact SD-CB 3.58Å; M304-C442 VanDerWaalsContact SD-CB 3.58Å; T308-C442 PolarHBondContact OG1-SG 3.3Å; I311-C442 CarbonylContact O-C 3.49Å; I311-C442 WeakPolarHBondContact O-CA 3.47Å; C312-C442 WeakPolarHBondContact SG-CB 3.43Å; C312-C442 PolarHBondContact SG-SG 2.92Å; C338-C442 CarbonylContact C-O 3.52Å; C338-C442 WeakPolarHBondContact CA-O 3.34Å; C338-C442 WeakPolarHBondContact CB-O 3.47Å; V339-C442 HydrophobicContact CG2-CB 3.58Å; V339-C442 PolarHBondContact N-O 3.38Å; V339-C442 PolarHBondContact O-N 2.69Å
443	H	93.3	Very high	84.5	Confident	10 Å²	10	32.9 Å²	32.9	5%	0.046	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.8	-179.1	-61.4	-98	0	0	0	111.1	G310 I311 Y333 V441 I510 F597	G310-H443 CarbonylContact C-O 3.46Å; G310-H443 WeakPolarHBondContact CA-O 3.32Å; I311-H443 HydrophobicContact CG2-CB 4.04Å; I311-H443 PolarHBondContact N-O 2.73Å; I311-H443 PolarHBondContact O-N 3.2Å; Y333-H443 AromaticContact CE1-CE1 3.75Å; V441-H443 WeakPolarHBondContact CG1-NE2 3.38Å; H443-I510 HydrophobicContact CB-CD1 4.05Å; H443-I510 WeakPolarHBondContact CD2-CD1 3.41Å; H443-I510 VanDerWaalsContact CG-CD1 3.47Å; H443-F597 WeakPolarHBondContact O-CE1 3.35Å
444	F	91.1	Very high	82.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.			trans	-89.5	136.8	-175.7	-62.5	-11.5	0	0	0	112.7	Y214 L217 T308 C337 V339 S448 L449 I455 C461	Y214-F444 HydrophobicContact CD2-CE2 4.27Å; Y214-F444 HydrophobicContact CD2-CZ 4.43Å; Y214-F444 HydrophobicContact CE2-CE2 4.26Å; Y214-F444 HydrophobicContact CE2-CZ 4.32Å; L217-F444 HydrophobicContact CD2-CZ 4.29Å; T308-F444 HydrophobicContact CG2-CD1 4.36Å; T308-F444 HydrophobicContact CG2-CE1 3.42Å; T308-F444 VanDerWaalsContact CG2-CE1 3.42Å; T308-F444 HydrophobicContact CG2-CZ 3.78Å; C337-F444 HydrophobicContact CB-CB 3.97Å; C337-F444 HydrophobicContact CB-CD2 4.02Å; C337-F444 HydrophobicContact CB-CG 4.33Å; C337-F444 WeakPolarHBondContact O-CB 3.24Å; C337-F444 WeakPolarHBondContact O-CG 3.34Å; C337-F444 PolarHBondContact O-N 3.08Å; V339-F444 HydrophobicContact CB-CZ 4.49Å; V339-F444 HydrophobicContact CG1-CE1 4.36Å; V339-F444 HydrophobicContact CG1-CZ 3.72Å; V339-F444 HydrophobicContact CG2-CE1 4.01Å; V339-F444 HydrophobicContact CG2-CZ 4.21Å; F444-S448 WeakPolarHBondContact CA-OG 3.5Å; F444-L449 HydrophobicContact CB-CD1 4.43Å; F444-L449 HydrophobicContact CD2-CD1 4.17Å; F444-I455 HydrophobicContact CD2-CD1 4.43Å; F444-I455 HydrophobicContact CE2-CD1 4.39Å; F444-C461 PolarHBondContact O-N 2.86Å
445	G	87.4	Confident	81.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.			trans	-120.3	-154.1	-176.1	0	0	0	0	0	113	S447 S448 R460 F597	G445-S447 VanDerWaalsContact C-N 3.34Å; G445-S448 PolarHBondContact N-OG 3.07Å; G445-S448 VanDerWaalsContact N-OG 3.12Å; G445-S448 PolarHBondContact O-N 3.31Å; G445-R460 WeakPolarHBondContact O-CD 3.23Å; G445-F597 VanDerWaalsContact CA-CE1 3.44Å
446	Y	81.6	Confident	79.5	Confident	80 Å²	80	40.9 Å²	40.9	31%	0.314	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-35.3	176.2	-71.7	-50.4	0	0	0	112	S448 E462 E463	Y446-S448 PolarHBondContact O-N 2.82Å; Y446-E462 VanDerWaalsContact OH-CD 3.31Å; Y446-E462 PolarHBondContact OH-OE2 2.86Å; Y446-E463 HydrophobicContact CD2-CB 3.68Å; Y446-E463 VanDerWaalsContact CD2-O 3.3Å; Y446-E463 WeakPolarHBondContact CD2-O 3.38Å; Y446-E463 HydrophobicContact CE2-CB 4.38Å; Y446-E463 WeakPolarHBondContact CE2-O 3.37Å; Y446-E463 HydrophobicContact CG-CB 4.32Å; Y446-E463 PolarHBondContact N-OE2 2.65Å
447	S	79.9	Confident	77.9	Confident	10 Å²	10	49.7 Å²	49.7	7%	0.07	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.3	176.5	-64.1	0	0	0	0	113	W242 W247 G445 E463	W242-S447 PolarHBondContact NE1-OG 2.97Å; W247-S447 PolarHBondContact NE1-O 2.81Å; G445-S447 VanDerWaalsContact C-N 3.34Å; S447-E463 PolarHBondContact N-OE2 3.46Å; S447-E463 PolarHBondContact OG-OE1 3.5Å
448	S	80.7	Confident	76.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-42.9	-173.2	-48.3	0	0	0	0	114.2	N220 T308 G310 F444 G445 Y446	N220-S448 PolarHBondContact ND2-O 3.14Å; T308-S448 WeakPolarHBondContact O-CA 3.22Å; T308-S448 WeakPolarHBondContact O-CB 3.38Å; T308-S448 PolarHBondContact O-OG 2.86Å; G310-S448 PolarHBondContact N-OG 2.88Å; F444-S448 WeakPolarHBondContact CA-OG 3.5Å; G445-S448 PolarHBondContact N-OG 3.07Å; G445-S448 VanDerWaalsContact N-OG 3.12Å; G445-S448 PolarHBondContact O-N 3.31Å; Y446-S448 PolarHBondContact O-N 2.82Å
449	L	74.1	Confident	75.8	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	26%	0.262	C	S	.	.	S	Bend	trans	-139.5	138	-168.2	-62.7	173.4	0	0	0	110.9	F444 D453 I455 R460	F444-L449 HydrophobicContact CB-CD1 4.43Å; F444-L449 HydrophobicContact CD2-CD1 4.17Å; L449-D453 HydrophobicContact CB-CB 4.17Å; L449-D453 HydrophobicContact CD2-CB 4.49Å; L449-I455 HydrophobicContact CD1-CD1 3.55Å; L449-I455 HydrophobicContact CD1-CG1 3.85Å; L449-I455 HydrophobicContact CD2-CD1 3.58Å; L449-I455 HydrophobicContact CD2-CG1 4.1Å; L449-I455 HydrophobicContact CG-CD1 4.17Å; L449-R460 PolarHBondContact O-NH1 3.01Å
450	D	67.7	Low	75.1	Confident	50 Å²	50	57 Å²	57	27%	0.267	27%	0.271	S	S	.	.			trans	-68.3	158.2	177.7	-93.5	-42	0	0	0	112	S122 K452 D453 R460	S122-D450 VanDerWaalsContact CB-CG 3.49Å; S122-D450 WeakPolarHBondContact CB-OD1 3.42Å; S122-D450 VanDerWaalsContact CB-OD2 3.3Å; S122-D450 WeakPolarHBondContact CB-OD2 3.35Å; S122-D450 VanDerWaalsContact OG-CG 3.27Å; S122-D450 PolarHBondContact OG-OD1 3.13Å; S122-D450 VanDerWaalsContact OG-OD1 3.08Å; S122-D450 PolarHBondContact OG-OD2 2.85Å; D450-K452 PolarHBondContact O-N 3.19Å; D450-D453 WeakPolarHBondContact CB-OD2 3.38Å; D450-D453 PolarHBondContact N-OD2 2.66Å; D450-D453 PolarHBondContact O-N 3.22Å; D450-R460 PolarHBondContact O-NH1 3.07Å
451	C	58	Low	74.7	Confident	101 Å²	101	58 Å²	58	68%	0.682	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-17	-177.6	63.7	0	0	0	0	116.4	R460	C451-R460 VanDerWaalsContact CA-NH2 3.33Å
452	K	57	Low	74.4	Confident	185 Å²	185	59 Å²	59	80%	0.804	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-9.8	179.5	-60.2	-179	-178.9	-180	0	113.1	D450 E454	D450-K452 PolarHBondContact O-N 3.19Å; K452-E454 PolarHBondContact O-N 3.29Å
453	D	60.5	Low	74.2	Confident	49 Å²	49	59.5 Å²	59.5	26%	0.262	29%	0.285	S	S	.	.			trans	-86	103	-175.4	-66.9	-25.9	0	0	0	109.9	L449 D450	L449-D453 HydrophobicContact CB-CB 4.17Å; L449-D453 HydrophobicContact CD2-CB 4.49Å; D450-D453 WeakPolarHBondContact CB-OD2 3.38Å; D450-D453 PolarHBondContact N-OD2 2.66Å; D450-D453 PolarHBondContact O-N 3.22Å
454	E	56.1	Low	74.2	Confident	148 Å²	148	59.4 Å²	59.4	69%	0.692	29%	0.285	S	S	*	.			trans	-94.3	115.7	161	-68.5	-175.8	-178.7	0	0	108.6	K452	K452-E454 PolarHBondContact O-N 3.29Å
455	I	58.3	Low	74.3	Confident	14 Å²	14	59.7 Å²	59.7	7%	0.072	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-83.4	115.8	168.9	-63.5	-177.2	0	0	0	107.6	Y214 F444 L449 K457 K458	Y214-I455 HydrophobicContact CD1-CD1 3.61Å; Y214-I455 HydrophobicContact CD1-CG1 4.45Å; Y214-I455 HydrophobicContact CD1-CG2 3.46Å; Y214-I455 VanDerWaalsContact CD1-CG2 3.46Å; Y214-I455 HydrophobicContact CE1-CD1 4.32Å; Y214-I455 HydrophobicContact CE1-CG2 3.62Å; Y214-I455 HydrophobicContact CG-CD1 4Å; F444-I455 HydrophobicContact CD2-CD1 4.43Å; F444-I455 HydrophobicContact CE2-CD1 4.39Å; L449-I455 HydrophobicContact CD1-CD1 3.55Å; L449-I455 HydrophobicContact CD1-CG1 3.85Å; L449-I455 HydrophobicContact CD2-CD1 3.58Å; L449-I455 HydrophobicContact CD2-CG1 4.1Å; L449-I455 HydrophobicContact CG-CD1 4.17Å; I455-K457 PolarHBondContact O-N 2.88Å; I455-K457 VanDerWaalsContact O-N 3.08Å; I455-K458 WeakPolarHBondContact O-CA 3.37Å; I455-K458 WeakPolarHBondContact O-CB 3.44Å; I455-K458 WeakPolarHBondContact O-CG 3.49Å; I455-K458 PolarHBondContact O-N 3.42Å
456	D	58.7	Low	74.6	Confident	125 Å²	125	60.1 Å²	60.1	67%	0.668	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	33.3	176.2	-62	-31.3	0	0	0	114.7	K458	D456-K458 HydrophobicContact CB-CD 4.27Å; D456-K458 HydrophobicContact CB-CG 4.35Å; D456-K458 PolarHBondContact O-N 2.84Å
457	K	61.1	Low	75.2	Confident	192 Å²	192	61.8 Å²	61.8	84%	0.835	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	18.8	-174	-47.9	175.6	180	179	0	114.3	I455	I455-K457 PolarHBondContact O-N 2.88Å; I455-K457 VanDerWaalsContact O-N 3.08Å
458	K	71.1	Confident	75.8	Confident	43 Å²	43	62.2 Å²	62.2	19%	0.187	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-91.3	139.8	177.8	-57.8	169.3	171.6	-172.5	0	109.4	T334 T336 C337 I455 D456	T334-K458 VanDerWaalsContact O-CE 3.28Å; T334-K458 WeakPolarHBondContact O-CE 3.47Å; T334-K458 PolarHBondContact O-NZ 2.99Å; T336-K458 WeakPolarHBondContact O-CD 3.44Å; C337-K458 VanDerWaalsContact SG-C 3.55Å; C337-K458 WeakPolarHBondContact SG-CB 3.48Å; C337-K458 PolarHBondContact SG-O 2.92Å; C337-K458 VanDerWaalsContact SG-O 3.33Å; I455-K458 WeakPolarHBondContact O-CA 3.37Å; I455-K458 WeakPolarHBondContact O-CB 3.44Å; I455-K458 WeakPolarHBondContact O-CG 3.49Å; I455-K458 PolarHBondContact O-N 3.42Å; D456-K458 HydrophobicContact CB-CD 4.27Å; D456-K458 HydrophobicContact CB-CG 4.35Å; D456-K458 PolarHBondContact O-N 2.84Å
459	K	73	Confident	76.5	Confident	137 Å²	137	66.7 Å²	66.7	60%	0.596	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-90.5	129.9	180	-161.9	-172.5	174	-162.2	0	109.6	E462	K459-E462 IonicContact NZ-OE1 3.68Å
460	R	81.9	Confident	77.6	Confident	49 Å²	49	66.7 Å²	66.7	19%	0.185	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-65.1	162.9	167.8	66.8	169.9	-178.7	-123.3	-9.8	111.6	G445 L449 D450 C451	G445-R460 WeakPolarHBondContact O-CD 3.23Å; L449-R460 PolarHBondContact O-NH1 3.01Å; D450-R460 PolarHBondContact O-NH1 3.07Å; C451-R460 VanDerWaalsContact CA-NH2 3.33Å
461	C	87.5	Confident	78.9	Confident	23 Å²	23	64.9 Å²	64.9	16%	0.155	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-72.9	151.7	169.6	-64.7	0	0	0	0	111.2	F444 F597 S598	F444-C461 PolarHBondContact O-N 2.86Å; C461-F597 HydrophobicContact CB-CB 4.18Å; C461-F597 HydrophobicContact CB-CD1 3.62Å; C461-F597 HydrophobicContact CB-CE1 4.48Å; C461-F597 HydrophobicContact CB-CG 4.29Å; C461-S598 WeakPolarHBondContact CA-O 3.26Å
462	E	88.7	Confident	80.7	Confident	21 Å²	21	60.7 Å²	60.7	10%	0.098	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	140.6	160	-58.6	-75.6	151.6	0	0	107.8	Y446 K459 F597 S598 V600 M602	Y446-E462 VanDerWaalsContact OH-CD 3.31Å; Y446-E462 PolarHBondContact OH-OE2 2.86Å; K459-E462 IonicContact NZ-OE1 3.68Å; E462-F597 CarbonylContact O-C 3.53Å; E462-F597 VanDerWaalsContact O-CA 3.23Å; E462-F597 WeakPolarHBondContact O-CA 3.29Å; E462-S598 WeakPolarHBondContact CB-O 3.05Å; E462-S598 PolarHBondContact N-O 3.27Å; E462-S598 PolarHBondContact O-N 3.46Å; E462-V600 WeakPolarHBondContact CB-O 3.35Å; E462-V600 WeakPolarHBondContact CG-O 3.45Å; E462-M602 HydrophobicContact CB-CE 4.17Å
463	E	91.4	Very high	82.6	Confident	9 Å²	9	52.4 Å²	52.4	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.1	-175.6	169.9	-178	-163.9	0	0	109.5	Y446 S447 V596 F597	Y446-E463 HydrophobicContact CD2-CB 3.68Å; Y446-E463 VanDerWaalsContact CD2-O 3.3Å; Y446-E463 WeakPolarHBondContact CD2-O 3.38Å; Y446-E463 HydrophobicContact CE2-CB 4.38Å; Y446-E463 WeakPolarHBondContact CE2-O 3.37Å; Y446-E463 HydrophobicContact CG-CB 4.32Å; Y446-E463 PolarHBondContact N-OE2 2.65Å; S447-E463 PolarHBondContact N-OE2 3.46Å; S447-E463 PolarHBondContact OG-OE1 3.5Å; E463-V596 WeakPolarHBondContact CA-O 3.5Å; E463-F597 HydrophobicContact CB-CD2 4.28Å; E463-F597 HydrophobicContact CB-CE2 4.06Å; E463-F597 HydrophobicContact CB-CZ 4.25Å; E463-F597 HydrophobicContact CG-CD2 4.08Å; E463-F597 HydrophobicContact CG-CE2 3.55Å; E463-F597 HydrophobicContact CG-CZ 3.95Å
464	I	93	Very high	84.3	Confident	8 Å²	8	50.4 Å²	50.4	4%	0.041	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.4	163.3	57.2	168.5	0	0	0	108.8	F466 F494 R595 V596 M602 Q604	I464-F466 HydrophobicContact CD1-CE2 4.02Å; I464-F466 HydrophobicContact CD1-CZ 4.36Å; I464-F494 HydrophobicContact CD1-CB 3.32Å; I464-F494 HydrophobicContact CD1-CD2 4.17Å; I464-F494 HydrophobicContact CD1-CG 3.82Å; I464-R595 CarbonylContact O-C 3.25Å; I464-R595 VanDerWaalsContact O-CA 3.23Å; I464-R595 WeakPolarHBondContact O-CA 3.41Å; I464-V596 HydrophobicContact CD1-CB 3.8Å; I464-V596 HydrophobicContact CD1-CG2 3.94Å; I464-V596 HydrophobicContact CG1-CB 3.53Å; I464-V596 HydrophobicContact CG1-CG2 4.05Å; I464-V596 PolarHBondContact N-O 3.38Å; I464-V596 PolarHBondContact O-N 3.14Å; I464-M602 HydrophobicContact CD1-SD 4.35Å; I464-M602 HydrophobicContact CG1-CE 4.13Å; I464-M602 HydrophobicContact CG1-SD 4.32Å; I464-M602 HydrophobicContact CG2-CB 3.86Å; I464-M602 HydrophobicContact CG2-CE 4.31Å; I464-Q604 VanDerWaalsContact CA-OE1 3.25Å; I464-Q604 HydrophobicContact CB-CB 4.11Å; I464-Q604 HydrophobicContact CB-CG 4.42Å; I464-Q604 HydrophobicContact CD1-CB 4.28Å; I464-Q604 HydrophobicContact CG2-CB 4.01Å; I464-Q604 HydrophobicContact CG2-CG 4.19Å
465	C	93	Very high	86.2	Confident	6 Å²	6	44.8 Å²	44.8	4%	0.041	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	138.7	-176	174.7	0	0	0	0	111.5	Y120 C594 R595 Q604	Y120-C465 HydrophobicContact CE2-CB 4.5Å; Y120-C465 WeakPolarHBondContact OH-CB 3.39Å; Y120-C465 PolarHBondContact OH-SG 2.69Å; C465-C594 CarbonylContact C-O 3.47Å; C465-C594 VanDerWaalsContact CA-O 3.27Å; C465-C594 WeakPolarHBondContact CA-O 3.35Å; C465-R595 HydrophobicContact CB-CG 3.91Å; C465-Q604 VanDerWaalsContact N-OE1 3.13Å; C465-Q604 PolarHBondContact O-NE2 3.41Å; C465-Q604 VanDerWaalsContact O-NE2 3.12Å
466	F	93.8	Very high	88	Confident	10 Å²	10	44.1 Å²	44.1	4%	0.044	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.3	176.9	-52.3	-87.6	0	0	0	109.1	I464 Y492 I593 C594 Q604	I464-F466 HydrophobicContact CD1-CE2 4.02Å; I464-F466 HydrophobicContact CD1-CZ 4.36Å; F466-Y492 HydrophobicContact CB-CD1 3.74Å; F466-Y492 HydrophobicContact CB-CD2 4.23Å; F466-Y492 HydrophobicContact CB-CE1 3.62Å; F466-Y492 HydrophobicContact CB-CE2 4.12Å; F466-Y492 HydrophobicContact CB-CG 4.05Å; F466-Y492 AromaticContact CD1-CD1 3.28Å; F466-Y492 HydrophobicContact CD1-CD1 3.28Å; F466-Y492 AromaticContact CD1-CE1 3.86Å; F466-Y492 HydrophobicContact CD1-CE1 3.86Å; F466-Y492 AromaticContact CD1-CG 3.82Å; F466-Y492 HydrophobicContact CD1-CG 3.82Å; F466-Y492 HydrophobicContact CD2-CD1 4.18Å; F466-Y492 HydrophobicContact CD2-CD2 4.33Å; F466-Y492 AromaticContact CD2-CG 3.88Å; F466-Y492 HydrophobicContact CD2-CG 3.88Å; F466-Y492 AromaticContact CE1-CD1 3.81Å; F466-Y492 HydrophobicContact CE1-CD1 3.81Å; F466-Y492 HydrophobicContact CE1-CG 4.16Å; F466-Y492 HydrophobicContact CE2-CG 4.23Å; F466-Y492 AromaticContact CG-CD1 3.47Å; F466-Y492 HydrophobicContact CG-CD1 3.47Å; F466-Y492 VanDerWaalsContact CG-CD1 3.47Å; F466-Y492 HydrophobicContact CG-CD2 4.22Å; F466-Y492 AromaticContact CG-CE1 3.91Å; F466-Y492 HydrophobicContact CG-CE1 3.91Å; F466-Y492 AromaticContact CG-CG 3.65Å; F466-Y492 HydrophobicContact CG-CG 3.65Å; F466-Y492 HydrophobicContact CZ-CD1 4.44Å; F466-Y492 HydrophobicContact CZ-CG 4.34Å; F466-I593 CarbonylContact O-C 3.55Å; F466-I593 WeakPolarHBondContact O-CA 3.12Å; F466-C594 HydrophobicContact CB-CB 4.26Å; F466-C594 HydrophobicContact CD2-CB 4.29Å; F466-C594 PolarHBondContact N-O 2.77Å; F466-C594 PolarHBondContact O-N 2.79Å; F466-Q604 HydrophobicContact CE1-CB 3.78Å; F466-Q604 HydrophobicContact CE1-CG 4.5Å; F466-Q604 HydrophobicContact CE2-CB 4.42Å; F466-Q604 HydrophobicContact CZ-CB 3.49Å; F466-Q604 VanDerWaalsContact CZ-CB 3.49Å
467	L	93.3	Very high	89.9	Confident	115 Å²	115	38.2 Å²	38.2	60%	0.602	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	131	171.8	-59.7	175.1	0	0	0	107.7	I593	L467-I593 HydrophobicContact CD2-CB 4.29Å; L467-I593 HydrophobicContact CD2-CG2 3.34Å
468	G	93.3	Very high	91.6	Very high	19 Å²	19	29 Å²	29	20%	0.196	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	174.6	-178.6	0	0	0	0	0	113.3	Y592	G468-Y592 VanDerWaalsContact C-CE1 3.5Å; G468-Y592 PolarHBondContact N-O 3.09Å; G468-Y592 PolarHBondContact O-N 3.38Å; G468-Y592 VanDerWaalsContact O-O 3.08Å
469	E	94.9	Very high	92.8	Very high	94 Å²	94	27 Å²	27	44%	0.439	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	141.2	176	57.5	-177.9	-178.9	0	0	110.2	V471 N475 A590 R591	E469-V471 HydrophobicContact CB-CG2 4.33Å; E469-V471 HydrophobicContact CG-CG2 3.78Å; E469-N475 PolarHBondContact O-ND2 3.47Å; E469-N475 PolarHBondContact O-OD1 3.17Å; E469-A590 WeakPolarHBondContact CA-O 3.44Å; E469-R591 HydrophobicContact CB-CG 4.02Å
470	W	96.9	Very high	93.8	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.9	163.3	-59.5	-70.6	0	0	0	108	N475 A476 V513 I529 P581 T583 Q588 E589 A590 Y592	W470-N475 WeakPolarHBondContact CA-OD1 3.37Å; W470-A476 HydrophobicContact CB-CB 3.94Å; W470-V513 HydrophobicContact CH2-CG1 3.95Å; W470-V513 HydrophobicContact CZ2-CG1 4.37Å; W470-I529 HydrophobicContact CH2-CB 4.24Å; W470-I529 HydrophobicContact CH2-CG2 3.81Å; W470-I529 HydrophobicContact CZ3-CG2 3.92Å; W470-P581 HydrophobicContact CZ2-CB 3.93Å; W470-P581 PolarHBondContact NE1-O 3.42Å; W470-T583 HydrophobicContact CD2-CG2 3.89Å; W470-T583 HydrophobicContact CE3-CG2 3.74Å; W470-T583 HydrophobicContact CG-CG2 4.35Å; W470-T583 HydrophobicContact CZ3-CG2 4.11Å; W470-Q588 WeakPolarHBondContact CB-O 3.23Å; W470-E589 VanDerWaalsContact O-CA 3.25Å; W470-E589 WeakPolarHBondContact O-CA 3.44Å; W470-A590 HydrophobicContact CE3-CB 3.94Å; W470-A590 HydrophobicContact CZ3-CB 4.22Å; W470-A590 PolarHBondContact N-O 2.89Å; W470-A590 PolarHBondContact O-N 2.74Å; W470-Y592 AromaticContact CD2-CD1 3.54Å; W470-Y592 HydrophobicContact CD2-CD1 3.54Å; W470-Y592 AromaticContact CD2-CE1 3.63Å; W470-Y592 HydrophobicContact CD2-CE1 3.63Å; W470-Y592 AromaticContact CE2-CD1 3.67Å; W470-Y592 AromaticContact CE2-CE1 3.54Å; W470-Y592 AromaticContact CE3-CD1 3.44Å; W470-Y592 HydrophobicContact CE3-CD1 3.44Å; W470-Y592 VanDerWaalsContact CE3-CD1 3.44Å; W470-Y592 HydrophobicContact CE3-CE1 4.05Å; W470-Y592 HydrophobicContact CE3-CG 4.31Å; W470-Y592 HydrophobicContact CG-CD1 4.32Å; W470-Y592 HydrophobicContact CG-CE1 4.04Å; W470-Y592 AromaticContact CH2-CD1 3.67Å; W470-Y592 HydrophobicContact CH2-CD1 3.67Å; W470-Y592 HydrophobicContact CH2-CE1 4.33Å; W470-Y592 AromaticContact CH2-CG 3.86Å; W470-Y592 HydrophobicContact CH2-CG 3.86Å; W470-Y592 AromaticContact CZ2-CD1 3.76Å; W470-Y592 HydrophobicContact CZ2-CD1 3.76Å; W470-Y592 AromaticContact CZ2-CE1 3.94Å; W470-Y592 HydrophobicContact CZ2-CE1 3.94Å; W470-Y592 HydrophobicContact CZ2-CG 4.19Å; W470-Y592 AromaticContact CZ3-CD1 3.51Å; W470-Y592 HydrophobicContact CZ3-CD1 3.51Å; W470-Y592 HydrophobicContact CZ3-CE1 4.37Å; W470-Y592 AromaticContact CZ3-CG 3.92Å; W470-Y592 HydrophobicContact CZ3-CG 3.92Å; W470-Y592 AromaticContact NE1-CE1 3.82Å
471	V	95.9	Very high	94.4	Very high	12 Å²	12	28.1 Å²	28.1	7%	0.073	15%	0.147	C	C	.	.			trans	-124	131.1	-178.5	-176.1	0	0	0	0	108.6	E469 N473 V474 N475 A476	E469-V471 HydrophobicContact CB-CG2 4.33Å; E469-V471 HydrophobicContact CG-CG2 3.78Å; V471-N473 PolarHBondContact O-N 3.02Å; V471-V474 HydrophobicContact CB-CB 4.08Å; V471-V474 HydrophobicContact CB-CG2 4.12Å; V471-V474 HydrophobicContact CG1-CB 4.26Å; V471-V474 HydrophobicContact CG1-CG2 3.73Å; V471-V474 PolarHBondContact O-N 3.11Å; V471-V474 VanDerWaalsContact O-N 3.17Å; V471-N475 PolarHBondContact N-OD1 2.96Å; V471-N475 PolarHBondContact O-N 2.82Å; V471-N475 PolarHBondContact O-OD1 2.79Å; V471-A476 VanDerWaalsContact O-CB 3.32Å; V471-A476 WeakPolarHBondContact O-CB 3.48Å; V471-A476 PolarHBondContact O-N 2.77Å
472	A	95.5	Very high	94.8	Very high	13 Å²	13	31 Å²	31	11%	0.107	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	136.3	-176.4	0	0	0	0	0	110.2	V474 N587 E589	A472-V474 PolarHBondContact O-N 2.88Å; A472-N587 HydrophobicContact CB-CB 4.4Å; A472-E589 HydrophobicContact CB-CG 3.77Å; A472-E589 WeakPolarHBondContact CB-OE1 3.43Å; A472-E589 PolarHBondContact N-OE1 2.85Å
473	N	95.6	Very high	95	Very high	11 Å²	11	33 Å²	33	6%	0.059	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	11.7	-178.5	-48.4	-59.8	0	0	0	115.3	V471 N587 W725 I752 H754 G757	V471-N473 PolarHBondContact O-N 3.02Å; N473-N587 PolarHBondContact N-OD1 3.36Å; N473-N587 PolarHBondContact OD1-ND2 3.31Å; N473-W725 VanDerWaalsContact C-CE3 3.4Å; N473-W725 HydrophobicContact CB-CB 4.06Å; N473-W725 HydrophobicContact CB-CD2 4.36Å; N473-W725 HydrophobicContact CB-CG 4.07Å; N473-I752 HydrophobicContact CB-CG2 4.02Å; N473-I752 WeakPolarHBondContact O-CD1 3.01Å; N473-H754 PolarHBondContact ND2-O 3.49Å; N473-G757 WeakPolarHBondContact OD1-CA 3.28Å
474	V	96.3	Very high	95	Very high	8 Å²	8	38.6 Å²	38.6	5%	0.048	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-64.5	177.9	-173.5	0	0	0	0	111	V471 A472 F744 A748	V471-V474 HydrophobicContact CB-CB 4.08Å; V471-V474 HydrophobicContact CB-CG2 4.12Å; V471-V474 HydrophobicContact CG1-CB 4.26Å; V471-V474 HydrophobicContact CG1-CG2 3.73Å; V471-V474 PolarHBondContact O-N 3.11Å; V471-V474 VanDerWaalsContact O-N 3.17Å; A472-V474 PolarHBondContact O-N 2.88Å; V474-F744 HydrophobicContact CG1-CD1 3.95Å; V474-F744 HydrophobicContact CG1-CE1 4.01Å; V474-A748 HydrophobicContact CB-CB 4.36Å; V474-A748 HydrophobicContact CG1-CB 4.23Å; V474-A748 HydrophobicContact CG2-CB 3.77Å
475	N	96.3	Very high	95.1	Very high	30 Å²	30	38.5 Å²	38.5	16%	0.16	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143	2.8	-172.7	67.8	-2.7	0	0	0	113	E469 W470 V471 G477 T488 N489	E469-N475 PolarHBondContact O-ND2 3.47Å; E469-N475 PolarHBondContact O-OD1 3.17Å; W470-N475 WeakPolarHBondContact CA-OD1 3.37Å; V471-N475 PolarHBondContact N-OD1 2.96Å; V471-N475 PolarHBondContact O-N 2.82Å; V471-N475 PolarHBondContact O-OD1 2.79Å; N475-G477 PolarHBondContact O-N 3.23Å; N475-T488 WeakPolarHBondContact CA-O 3.45Å; N475-T488 VanDerWaalsContact CB-O 3.3Å; N475-T488 WeakPolarHBondContact CB-O 3.38Å; N475-T488 CarbonylContact O-C 3.53Å; N475-N489 VanDerWaalsContact O-CA 3.25Å; N475-N489 WeakPolarHBondContact O-CA 3.03Å; N475-N489 PolarHBondContact O-OD1 3.33Å
476	A	97.2	Very high	95.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.			trans	-77.5	70	175.8	0	0	0	0	0	110.7	W470 V471 G478 S586 N587	W470-A476 HydrophobicContact CB-CB 3.94Å; V471-A476 VanDerWaalsContact O-CB 3.32Å; V471-A476 WeakPolarHBondContact O-CB 3.48Å; V471-A476 PolarHBondContact O-N 2.77Å; A476-G478 VanDerWaalsContact C-N 3.3Å; A476-G478 PolarHBondContact O-N 2.88Å; A476-S586 PolarHBondContact O-OG 3.38Å; A476-N587 PolarHBondContact O-N 2.9Å
477	G	97.4	Very high	95.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.			trans	-71.9	-16.2	-169.9	0	0	0	0	0	116.1	N475 S485 T488 N489 S586	N475-G477 PolarHBondContact O-N 3.23Å; G477-S485 WeakPolarHBondContact CA-O 3.14Å; G477-S485 CarbonylContact O-C 3.59Å; G477-S485 WeakPolarHBondContact O-CB 3.33Å; G477-S485 PolarHBondContact O-OG 3.02Å; G477-T488 VanDerWaalsContact CA-OG1 3.24Å; G477-T488 WeakPolarHBondContact CA-OG1 3.28Å; G477-N489 PolarHBondContact N-OD1 2.93Å; G477-S586 PolarHBondContact O-OG 2.77Å
478	G	97.5	Very high	95.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.			trans	77.3	-173.5	-173.6	0	0	0	0	0	112.8	A476 F486 N489 S582 T583	A476-G478 VanDerWaalsContact C-N 3.3Å; A476-G478 PolarHBondContact O-N 2.88Å; G478-F486 VanDerWaalsContact O-CD2 3.3Å; G478-F486 WeakPolarHBondContact O-CD2 3.46Å; G478-N489 PolarHBondContact O-ND2 3.26Å; G478-S582 VanDerWaalsContact O-CB 3.23Å; G478-S582 WeakPolarHBondContact O-CB 3.44Å; G478-T583 CarbonylContact C-O 3.54Å; G478-T583 VanDerWaalsContact CA-O 3.27Å; G478-T583 WeakPolarHBondContact CA-O 3.13Å
479	S	96.8	Very high	95.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	16%	0.163	C	C	.	.	S	Bend	trans	-73	-178.3	178.3	80.1	0	0	0	0	112.5	D481 Y482 F486 Y560 T583 Y584	S479-D481 PolarHBondContact O-N 3.01Å; S479-D481 VanDerWaalsContact O-N 3.16Å; S479-D481 WeakPolarHBondContact OG-CB 3.46Å; S479-D481 PolarHBondContact OG-N 2.83Å; S479-D481 PolarHBondContact OG-OD2 3.33Å; S479-Y482 PolarHBondContact O-N 3.27Å; S479-F486 VanDerWaalsContact C-CD2 3.45Å; S479-Y560 WeakPolarHBondContact CA-OH 3.49Å; S479-Y560 VanDerWaalsContact CB-CZ 3.48Å; S479-Y560 WeakPolarHBondContact CB-OH 3.4Å; S479-T583 PolarHBondContact N-O 2.9Å; S479-T583 VanDerWaalsContact N-O 3.07Å; S479-Y584 WeakPolarHBondContact CB-O 3.23Å; S479-Y584 PolarHBondContact N-O 3.29Å; S479-Y584 PolarHBondContact OG-O 2.93Å
480	R	93.9	Very high	95.8	Very high	102 Å²	102	28.9 Å²	28.9	39%	0.385	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-10.7	172.6	-64.1	-172.7	71	-152.2	4.5	113.8	Y482 F486	R480-Y482 PolarHBondContact O-N 3.07Å; R480-F486 HydrophobicContact CG-CD1 4.22Å; R480-F486 HydrophobicContact CG-CD2 4.01Å; R480-F486 HydrophobicContact CG-CE1 3.98Å; R480-F486 HydrophobicContact CG-CE2 3.76Å; R480-F486 HydrophobicContact CG-CG 4.25Å; R480-F486 HydrophobicContact CG-CZ 3.75Å
481	D	94.5	Very high	95.8	Very high	107 Å²	107	28.9 Å²	28.9	57%	0.572	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.9	170.2	-54.6	-45.6	0	0	0	111.9	S479 P483 Y584	S479-D481 PolarHBondContact O-N 3.01Å; S479-D481 VanDerWaalsContact O-N 3.16Å; S479-D481 WeakPolarHBondContact OG-CB 3.46Å; S479-D481 PolarHBondContact OG-N 2.83Å; S479-D481 PolarHBondContact OG-OD2 3.33Å; D481-P483 WeakPolarHBondContact O-CD 3.3Å; D481-Y584 WeakPolarHBondContact OD2-CE2 3.44Å; D481-Y584 PolarHBondContact OD2-OH 3.4Å
482	Y	95.2	Very high	95.9	Very high	82 Å²	82	28.5 Å²	28.5	32%	0.322	14%	0.143	S	C	.	.	S	Bend	trans	-110.5	68	171.9	-59.2	-91.8	0	0	0	110.5	S479 R480 E484 S485 F486 Y584 N585	S479-Y482 PolarHBondContact O-N 3.27Å; R480-Y482 PolarHBondContact O-N 3.07Å; Y482-E484 PolarHBondContact O-N 3.25Å; Y482-E484 VanDerWaalsContact O-N 3.09Å; Y482-S485 WeakPolarHBondContact CB-OG 3.47Å; Y482-S485 PolarHBondContact O-N 2.86Å; Y482-S485 VanDerWaalsContact O-N 3.14Å; Y482-F486 WeakPolarHBondContact O-CB 3.44Å; Y482-F486 PolarHBondContact O-N 2.85Å; Y482-Y584 VanDerWaalsContact CE2-O 3.22Å; Y482-Y584 WeakPolarHBondContact CE2-O 3.18Å; Y482-N585 PolarHBondContact OH-OD1 2.71Å
483	P	93.1	Very high	95.9	Very high	65 Å²	65	28.7 Å²	28.7	42%	0.422	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.5	-171.3	21.2	-33.2	0	0	0	114	D481 L550	D481-P483 WeakPolarHBondContact O-CD 3.3Å; P483-L550 HydrophobicContact CB-CD2 3.79Å
484	E	92	Very high	95.9	Very high	126 Å²	126	28.2 Å²	28.2	59%	0.589	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-37.4	-178.7	-56	-176.6	133	0	0	112.6	Y482 F726	Y482-E484 PolarHBondContact O-N 3.25Å; Y482-E484 VanDerWaalsContact O-N 3.09Å; E484-F726 HydrophobicContact CB-CD2 4.06Å; E484-F726 HydrophobicContact CB-CE2 3.66Å; E484-F726 HydrophobicContact CB-CZ 4.08Å
485	S	95.5	Very high	95.8	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.042	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-13.7	-176.4	58	0	0	0	0	114	G477 Y482 C487 T488 S586	G477-S485 WeakPolarHBondContact CA-O 3.14Å; G477-S485 CarbonylContact O-C 3.59Å; G477-S485 WeakPolarHBondContact O-CB 3.33Å; G477-S485 PolarHBondContact O-OG 3.02Å; Y482-S485 WeakPolarHBondContact CB-OG 3.47Å; Y482-S485 PolarHBondContact O-N 2.86Å; Y482-S485 VanDerWaalsContact O-N 3.14Å; S485-C487 PolarHBondContact O-N 3.31Å; S485-C487 VanDerWaalsContact O-N 3.13Å; S485-T488 WeakPolarHBondContact O-CB 3.47Å; S485-T488 WeakPolarHBondContact O-CG2 2.99Å; S485-T488 PolarHBondContact O-N 2.65Å; S485-T488 PolarHBondContact O-OG1 2.54Å; S485-S586 PolarHBondContact OG-OG 2.91Å
486	F	97	Very high	95.7	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.026	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-53.9	-37.7	-178	-179.7	-105.7	0	0	0	112.9	G478 S479 R480 Y482 T488 N489 F534 L549 I580	G478-F486 VanDerWaalsContact O-CD2 3.3Å; G478-F486 WeakPolarHBondContact O-CD2 3.46Å; S479-F486 VanDerWaalsContact C-CD2 3.45Å; R480-F486 HydrophobicContact CG-CD1 4.22Å; R480-F486 HydrophobicContact CG-CD2 4.01Å; R480-F486 HydrophobicContact CG-CE1 3.98Å; R480-F486 HydrophobicContact CG-CE2 3.76Å; R480-F486 HydrophobicContact CG-CG 4.25Å; R480-F486 HydrophobicContact CG-CZ 3.75Å; Y482-F486 WeakPolarHBondContact O-CB 3.44Å; Y482-F486 PolarHBondContact O-N 2.85Å; F486-T488 PolarHBondContact O-N 2.78Å; F486-N489 WeakPolarHBondContact O-CB 3.37Å; F486-N489 PolarHBondContact O-N 3.1Å; F486-N489 PolarHBondContact O-ND2 3.07Å; F486-F534 HydrophobicContact CE1-CE2 4.32Å; F486-F534 HydrophobicContact CE1-CZ 4.28Å; F486-L549 HydrophobicContact CD1-CD1 4.06Å; F486-L549 HydrophobicContact CE1-CD1 4.32Å; F486-L549 HydrophobicContact CE1-CD2 4.33Å; F486-I580 HydrophobicContact CE1-CD1 4.07Å; F486-I580 HydrophobicContact CE1-CG2 4.3Å; F486-I580 HydrophobicContact CE2-CG2 4.19Å; F486-I580 HydrophobicContact CZ-CB 4.18Å; F486-I580 HydrophobicContact CZ-CD1 4.41Å; F486-I580 HydrophobicContact CZ-CG2 3.8Å
487	C	95	Very high	95.3	Very high	10 Å²	10	29.6 Å²	29.6	7%	0.068	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-64.3	-19.2	178.6	72.2	0	0	0	0	114	S485 N489 Q491 R543 P546 L549	S485-C487 PolarHBondContact O-N 3.31Å; S485-C487 VanDerWaalsContact O-N 3.13Å; C487-N489 VanDerWaalsContact C-N 3.29Å; C487-Q491 PolarHBondContact O-NE2 2.89Å; C487-R543 PolarHBondContact O-NH2 2.89Å; C487-P546 HydrophobicContact CB-CB 4.43Å; C487-P546 HydrophobicContact CB-CG 4.17Å; C487-L549 HydrophobicContact CB-CD1 3.68Å
488	T	95.7	Very high	94.7	Very high	15 Å²	15	33.6 Å²	33.6	9%	0.092	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-77.4	-18.4	-179.8	70	0	0	0	0	112.2	N475 G477 S485 F486 R543 W725 F726	N475-T488 WeakPolarHBondContact CA-O 3.45Å; N475-T488 VanDerWaalsContact CB-O 3.3Å; N475-T488 WeakPolarHBondContact CB-O 3.38Å; N475-T488 CarbonylContact O-C 3.53Å; G477-T488 VanDerWaalsContact CA-OG1 3.24Å; G477-T488 WeakPolarHBondContact CA-OG1 3.28Å; S485-T488 WeakPolarHBondContact O-CB 3.47Å; S485-T488 WeakPolarHBondContact O-CG2 2.99Å; S485-T488 PolarHBondContact O-N 2.65Å; S485-T488 PolarHBondContact O-OG1 2.54Å; F486-T488 PolarHBondContact O-N 2.78Å; T488-R543 PolarHBondContact O-NH2 2.9Å; T488-W725 HydrophobicContact CG2-CH2 4.5Å; T488-W725 HydrophobicContact CG2-CZ3 4.03Å; T488-W725 WeakPolarHBondContact OG1-CH2 3.3Å; T488-F726 HydrophobicContact CG2-CB 3.86Å
489	N	97.6	Very high	93.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-54.8	150.2	172.8	-69.8	-66	0	0	0	111.2	N475 G477 G478 F486 C487 Q491 R543 I580	N475-N489 VanDerWaalsContact O-CA 3.25Å; N475-N489 WeakPolarHBondContact O-CA 3.03Å; N475-N489 PolarHBondContact O-OD1 3.33Å; G477-N489 PolarHBondContact N-OD1 2.93Å; G478-N489 PolarHBondContact O-ND2 3.26Å; F486-N489 WeakPolarHBondContact O-CB 3.37Å; F486-N489 PolarHBondContact O-N 3.1Å; F486-N489 PolarHBondContact O-ND2 3.07Å; C487-N489 VanDerWaalsContact C-N 3.29Å; N489-Q491 WeakPolarHBondContact O-CG 3.38Å; N489-R543 PolarHBondContact O-NH2 2.96Å; N489-I580 HydrophobicContact CB-CG2 3.57Å
490	P	97	Very high	92.3	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.071	23%	0.234	C	C	.	.			trans	-55.3	144.2	172.3	-30.1	41.6	0	0	0	111.6	Y492 P581 Y592	P490-Y492 HydrophobicContact CB-CE2 3.98Å; P490-P581 WeakPolarHBondContact O-CD 3.16Å; P490-Y592 WeakPolarHBondContact CB-OH 3.23Å; P490-Y592 WeakPolarHBondContact CG-OH 3.36Å
491	Q	97	Very high	91.1	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.009	24%	0.241	C	C	.	.			trans	-127.5	119.4	-178.3	-55.6	-173.1	20.9	0	0	109.1	C487 N489 L544 I578 I580 L607	C487-Q491 PolarHBondContact O-NE2 2.89Å; N489-Q491 WeakPolarHBondContact O-CG 3.38Å; Q491-L544 PolarHBondContact NE2-O 2.93Å; Q491-I578 HydrophobicContact CB-CG2 3.97Å; Q491-I580 HydrophobicContact CG-CD1 4.03Å; Q491-I580 HydrophobicContact CG-CG1 4.07Å; Q491-L607 HydrophobicContact CB-CB 4.26Å; Q491-L607 HydrophobicContact CB-CD1 4.04Å; Q491-L607 WeakPolarHBondContact O-CB 3.41Å; Q491-L607 PolarHBondContact O-N 3.3Å
492	Y	96.9	Very high	89.6	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.1	-177.4	-58.3	-65.9	0	0	0	110.2	F466 P490 I578 L579 P581 Y592 C594 E606	F466-Y492 HydrophobicContact CB-CD1 3.74Å; F466-Y492 HydrophobicContact CB-CD2 4.23Å; F466-Y492 HydrophobicContact CB-CE1 3.62Å; F466-Y492 HydrophobicContact CB-CE2 4.12Å; F466-Y492 HydrophobicContact CB-CG 4.05Å; F466-Y492 AromaticContact CD1-CD1 3.28Å; F466-Y492 HydrophobicContact CD1-CD1 3.28Å; F466-Y492 AromaticContact CD1-CE1 3.86Å; F466-Y492 HydrophobicContact CD1-CE1 3.86Å; F466-Y492 AromaticContact CD1-CG 3.82Å; F466-Y492 HydrophobicContact CD1-CG 3.82Å; F466-Y492 HydrophobicContact CD2-CD1 4.18Å; F466-Y492 HydrophobicContact CD2-CD2 4.33Å; F466-Y492 AromaticContact CD2-CG 3.88Å; F466-Y492 HydrophobicContact CD2-CG 3.88Å; F466-Y492 AromaticContact CE1-CD1 3.81Å; F466-Y492 HydrophobicContact CE1-CD1 3.81Å; F466-Y492 HydrophobicContact CE1-CG 4.16Å; F466-Y492 HydrophobicContact CE2-CG 4.23Å; F466-Y492 AromaticContact CG-CD1 3.47Å; F466-Y492 HydrophobicContact CG-CD1 3.47Å; F466-Y492 VanDerWaalsContact CG-CD1 3.47Å; F466-Y492 HydrophobicContact CG-CD2 4.22Å; F466-Y492 AromaticContact CG-CE1 3.91Å; F466-Y492 HydrophobicContact CG-CE1 3.91Å; F466-Y492 AromaticContact CG-CG 3.65Å; F466-Y492 HydrophobicContact CG-CG 3.65Å; F466-Y492 HydrophobicContact CZ-CD1 4.44Å; F466-Y492 HydrophobicContact CZ-CG 4.34Å; P490-Y492 HydrophobicContact CB-CE2 3.98Å; Y492-I578 CarbonylContact O-C 3.5Å; Y492-I578 WeakPolarHBondContact O-CA 3.24Å; Y492-L579 PolarHBondContact N-O 2.97Å; Y492-L579 PolarHBondContact O-N 3.49Å; Y492-P581 HydrophobicContact CD2-CG 4.18Å; Y492-P581 HydrophobicContact CE2-CG 3.77Å; Y492-Y592 HydrophobicContact CE2-CE2 4Å; Y492-Y592 PolarHBondContact OH-OH 3.04Å; Y492-C594 HydrophobicContact CD2-CB 4.46Å; Y492-C594 HydrophobicContact CE2-CB 4.46Å; Y492-E606 HydrophobicContact CD1-CB 4.04Å; Y492-E606 HydrophobicContact CD1-CG 3.92Å; Y492-E606 HydrophobicContact CE1-CB 4.21Å; Y492-E606 HydrophobicContact CE1-CG 3.75Å
493	L	96.2	Very high	88.1	Confident	17 Å²	17	43.7 Å²	43.7	9%	0.089	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.9	175.3	-171.5	105.6	0	0	0	109.8	V536 Q540 T576 F577 I578 L605 L607	L493-V536 HydrophobicContact CD1-CG2 3.97Å; L493-Q540 HydrophobicContact CD1-CB 4.35Å; L493-Q540 HydrophobicContact CD1-CG 4.41Å; L493-T576 HydrophobicContact CD1-CG2 3.59Å; L493-T576 HydrophobicContact CD2-CG2 4.04Å; L493-T576 HydrophobicContact CG-CG2 3.8Å; L493-F577 CarbonylContact C-O 3.47Å; L493-F577 WeakPolarHBondContact CA-O 3.05Å; L493-I578 HydrophobicContact CD1-CD1 4.38Å; L493-I578 HydrophobicContact CD1-CG1 3.86Å; L493-L605 WeakPolarHBondContact CA-O 3.47Å; L493-L605 HydrophobicContact CB-CB 4.32Å; L493-L605 HydrophobicContact CD2-CB 4.28Å; L493-L605 HydrophobicContact CD2-CD2 4.3Å; L493-L605 PolarHBondContact N-O 2.83Å; L493-L605 PolarHBondContact O-N 2.95Å; L493-L605 VanDerWaalsContact O-O 3.11Å; L493-L607 HydrophobicContact CB-CD1 4.32Å; L493-L607 HydrophobicContact CB-CD2 3.93Å; L493-L607 HydrophobicContact CB-CG 3.98Å; L493-L607 HydrophobicContact CD1-CD2 4.35Å
494	F	95.9	Very high	87.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	147.9	168.8	69.3	-80.7	0	0	0	112	I464 I496 I533 F577 L579 V596 K603	I464-F494 HydrophobicContact CD1-CB 3.32Å; I464-F494 HydrophobicContact CD1-CD2 4.17Å; I464-F494 HydrophobicContact CD1-CG 3.82Å; F494-I496 HydrophobicContact CD2-CG1 4.19Å; F494-I496 HydrophobicContact CE2-CD1 4.12Å; F494-I496 HydrophobicContact CE2-CG1 4.04Å; F494-I533 HydrophobicContact CE1-CG2 4.38Å; F494-I533 HydrophobicContact CZ-CG2 4.24Å; F494-F577 HydrophobicContact CD1-CB 4.08Å; F494-F577 HydrophobicContact CD2-CB 4.47Å; F494-F577 HydrophobicContact CD2-CD2 4.26Å; F494-F577 HydrophobicContact CE1-CB 3.55Å; F494-F577 HydrophobicContact CE2-CB 4Å; F494-F577 AromaticContact CE2-CD2 3.76Å; F494-F577 HydrophobicContact CE2-CD2 3.76Å; F494-F577 HydrophobicContact CE2-CG 4.17Å; F494-F577 HydrophobicContact CZ-CB 3.51Å; F494-F577 HydrophobicContact CZ-CD2 4.07Å; F494-F577 AromaticContact CZ-CG 4Å; F494-F577 HydrophobicContact CZ-CG 4Å; F494-F577 PolarHBondContact N-O 3.49Å; F494-F577 PolarHBondContact O-N 2.72Å; F494-L579 HydrophobicContact CD1-CB 4.33Å; F494-L579 HydrophobicContact CE1-CB 4.02Å; F494-V596 HydrophobicContact CE1-CG2 4.49Å; F494-V596 HydrophobicContact CE2-CG1 4.25Å; F494-V596 HydrophobicContact CZ-CG2 4.49Å; F494-K603 CarbonylContact C-O 3.58Å; F494-K603 WeakPolarHBondContact CA-O 3.47Å; F494-K603 WeakPolarHBondContact CB-O 3.29Å
495	T	95.1	Very high	86.7	Confident	35 Å²	35	41.7 Å²	41.7	22%	0.215	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.3	179.8	-55	0	0	0	0	109.5	G575 T576 M602 K603	T495-G575 CarbonylContact C-O 3.57Å; T495-G575 WeakPolarHBondContact CA-O 3.21Å; T495-G575 WeakPolarHBondContact CG2-O 3.38Å; T495-T576 PolarHBondContact OG1-OG1 2.92Å; T495-T576 VanDerWaalsContact OG1-OG1 3.13Å; T495-M602 CarbonylContact O-C 3.45Å; T495-M602 WeakPolarHBondContact O-CA 3.43Å; T495-K603 PolarHBondContact N-O 2.77Å; T495-K603 PolarHBondContact O-N 2.84Å
496	I	93.3	Very high	86.4	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.8	173.4	-59.2	179.2	0	0	0	108.1	F494 A507 I509 L572 P574 G575 F577 V600 M602	F494-I496 HydrophobicContact CD2-CG1 4.19Å; F494-I496 HydrophobicContact CE2-CD1 4.12Å; F494-I496 HydrophobicContact CE2-CG1 4.04Å; I496-A507 HydrophobicContact CG2-CB 3.86Å; I496-I509 HydrophobicContact CD1-CG2 3.72Å; I496-L572 HydrophobicContact CD1-CB 3.98Å; I496-L572 HydrophobicContact CD1-CD1 4.14Å; I496-P574 WeakPolarHBondContact O-CA 3.27Å; I496-G575 PolarHBondContact N-O 3.17Å; I496-G575 PolarHBondContact O-N 2.96Å; I496-G575 VanDerWaalsContact O-N 3.15Å; I496-F577 HydrophobicContact CB-CE2 4.17Å; I496-F577 HydrophobicContact CD1-CD2 4.06Å; I496-F577 HydrophobicContact CD1-CE2 3.57Å; I496-F577 HydrophobicContact CD1-CZ 4.39Å; I496-F577 HydrophobicContact CG1-CD2 4.09Å; I496-F577 HydrophobicContact CG1-CE2 3.79Å; I496-V600 HydrophobicContact CG2-CG2 3.48Å; I496-V600 VanDerWaalsContact CG2-CG2 3.48Å; I496-M602 HydrophobicContact CG1-CG 4.44Å
497	G	88.1	Confident	86.1	Confident	29 Å²	29	47.2 Å²	47.2	30%	0.299	29%	0.286	S	S	.	.			trans	-78.2	177.2	177	0	0	0	0	0	113.8	K601	G497-K601 PolarHBondContact N-O 2.89Å; G497-K601 VanDerWaalsContact N-O 3.1Å
498	T	84.6	Confident	85.9	Confident	85 Å²	85	49.3 Å²	49.3	52%	0.521	29%	0.294	S	S	.	.			trans	-79.3	156.4	168.9	56.1	0	0	0	0	111	P574	T498-P574 HydrophobicContact CG2-CB 4.21Å; T498-P574 HydrophobicContact CG2-CG 4.07Å
499	D	75	Confident	85.9	Confident	58 Å²	58	48.6 Å²	48.6	31%	0.31	29%	0.29	S	S	.	.			trans	-65.7	166.2	173.4	77.9	-0.5	0	0	0	112.4	S501 G502 K503 V600	D499-S501 PolarHBondContact O-N 2.68Å; D499-S501 WeakPolarHBondContact OD1-CA 3.47Å; D499-S501 PolarHBondContact OD1-N 3.32Å; D499-S501 PolarHBondContact OD1-OG 3.2Å; D499-S501 WeakPolarHBondContact OD2-CB 3.22Å; D499-S501 PolarHBondContact OD2-OG 3.3Å; D499-G502 PolarHBondContact O-N 2.9Å; D499-G502 PolarHBondContact OD1-N 3.1Å; D499-K503 PolarHBondContact OD1-N 3.15Å; D499-V600 HydrophobicContact CB-CG1 4.19Å
500	N	69.2	Low	85.8	Confident	158 Å²	158	48.8 Å²	48.8	85%	0.845	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.3	175.4	-70.3	-12.4	0	0	0	112.9	G502	N500-G502 VanDerWaalsContact C-N 3.3Å
501	S	68.8	Low	85.8	Confident	76 Å²	76	48.2 Å²	48.2	53%	0.531	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.6	-179.6	88.8	0	0	0	0	112.8	D499 K503	D499-S501 PolarHBondContact O-N 2.68Å; D499-S501 WeakPolarHBondContact OD1-CA 3.47Å; D499-S501 PolarHBondContact OD1-N 3.32Å; D499-S501 PolarHBondContact OD1-OG 3.2Å; D499-S501 WeakPolarHBondContact OD2-CB 3.22Å; D499-S501 PolarHBondContact OD2-OG 3.3Å; S501-K503 PolarHBondContact O-N 2.98Å; S501-K503 WeakPolarHBondContact OG-CB 3.28Å
502	G	62.7	Low	85.7	Confident	59 Å²	59	48.1 Å²	48.1	61%	0.608	29%	0.287	S	S	*	.			trans	69.6	7.7	-176.2	0	0	0	0	0	113.2	D499 N500	D499-G502 PolarHBondContact O-N 2.9Å; D499-G502 PolarHBondContact OD1-N 3.1Å; N500-G502 VanDerWaalsContact C-N 3.3Å
503	K	64.8	Low	85.7	Confident	153 Å²	153	48 Å²	48	67%	0.665	29%	0.286	S	S	*	.			trans	-84.6	129.2	177	-71.9	-176.6	178.4	179.2	0	109	D499 S501 G505	D499-K503 PolarHBondContact OD1-N 3.15Å; S501-K503 PolarHBondContact O-N 2.98Å; S501-K503 WeakPolarHBondContact OG-CB 3.28Å; K503-G505 PolarHBondContact O-N 3.41Å
504	V	72.5	Confident	85.7	Confident	111 Å²	111	47.1 Å²	47.1	67%	0.673	28%	0.282	S	S	*	.			trans	-74.1	78.8	170.1	-173	0	0	0	0	108.2	F573	V504-F573 HydrophobicContact CG1-CD1 4.38Å
505	G	83.8	Confident	85.5	Confident	38 Å²	38	47.1 Å²	47.1	39%	0.392	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-103.9	164.2	171.3	0	0	0	0	0	111	K503 P574	K503-G505 PolarHBondContact O-N 3.41Å; G505-P574 WeakPolarHBondContact O-CD 3.35Å
506	K	88.8	Confident	85.1	Confident	123 Å²	123	47 Å²	47	54%	0.535	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-71.7	137.4	169	-65.6	-178	168.3	-158.9	0	110	D571 L572 F573	K506-D571 HydrophobicContact CB-CB 3.98Å; K506-D571 HydrophobicContact CD-CB 3.81Å; K506-L572 CarbonylContact C-O 3.54Å; K506-L572 WeakPolarHBondContact CA-O 3.46Å; K506-F573 HydrophobicContact CD-CE2 4.35Å; K506-F573 HydrophobicContact CD-CZ 4.44Å; K506-F573 VanDerWaalsContact CE-CE2 3.42Å; K506-F573 HydrophobicContact CG-CD1 4Å; K506-F573 HydrophobicContact CG-CD2 4.16Å; K506-F573 HydrophobicContact CG-CE1 3.87Å; K506-F573 HydrophobicContact CG-CE2 4.05Å; K506-F573 HydrophobicContact CG-CG 4.15Å; K506-F573 HydrophobicContact CG-CZ 3.9Å
507	A	90.5	Very high	84.1	Confident	5 Å²	5	50.4 Å²	50.4	4%	0.041	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.2	167.3	0	0	0	0	0	109.3	I496 D571 L572 V600	I496-A507 HydrophobicContact CG2-CB 3.86Å; A507-D571 WeakPolarHBondContact O-CA 3.46Å; A507-L572 PolarHBondContact N-O 3.25Å; A507-L572 PolarHBondContact O-N 3.46Å; A507-V600 HydrophobicContact CB-CG1 4.16Å; A507-V600 HydrophobicContact CB-CG2 3.58Å
508	H	90.8	Very high	83.1	Confident	54 Å²	54	50.6 Å²	50.6	25%	0.25	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.5	168.6	-173.1	72.6	0	0	0	109.4	E569 D571 S598 T599	H508-E569 IonicContact CE1-OE2 3.7Å; H508-E569 PolarHBondContact CE1-OE2 2.96Å; H508-E569 IonicContact NE2-OE2 3.67Å; H508-D571 WeakPolarHBondContact CA-OD1 3.46Å; H508-D571 WeakPolarHBondContact CB-OD1 3.46Å; H508-D571 IonicContact CG-OD1 2.68Å; H508-D571 IonicContact ND1-OD1 3.18Å; H508-D571 PolarHBondContact ND1-OD1 3.28Å; H508-S598 WeakPolarHBondContact O-CA 3.08Å; H508-S598 PolarHBondContact O-OG 3.03Å; H508-T599 HydrophobicContact CB-CG2 4.42Å; H508-T599 PolarHBondContact O-N 2.62Å
509	I	94.5	Very high	82.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.3	177	65.2	158.3	0	0	0	112.1	I496 V511 E569 A570 L572 V596 F597	I496-I509 HydrophobicContact CD1-CG2 3.72Å; I509-V511 HydrophobicContact CD1-CG2 3.86Å; I509-E569 WeakPolarHBondContact O-CA 3.02Å; I509-A570 HydrophobicContact CG1-CB 4.24Å; I509-A570 VanDerWaalsContact CG1-O 3.27Å; I509-A570 WeakPolarHBondContact CG1-O 3.38Å; I509-A570 PolarHBondContact N-O 2.74Å; I509-A570 PolarHBondContact O-N 2.83Å; I509-L572 HydrophobicContact CD1-CD1 3.41Å; I509-L572 VanDerWaalsContact CD1-CD1 3.41Å; I509-L572 HydrophobicContact CD1-CG 3.88Å; I509-L572 HydrophobicContact CG1-CD1 4.24Å; I509-L572 HydrophobicContact CG1-CG 4.16Å; I509-V596 HydrophobicContact CB-CG1 4.35Å; I509-F597 CarbonylContact C-O 3.57Å; I509-F597 WeakPolarHBondContact CA-O 3.15Å; I509-F597 WeakPolarHBondContact CB-O 3.42Å
510	I	95.6	Very high	82.2	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.015	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122	171.3	-44.6	-178.6	0	0	0	107.3	I311 T313 H443 L568 E569 V596 F597	I311-I510 HydrophobicContact CD1-CB 4.39Å; I311-I510 HydrophobicContact CD1-CG2 3.79Å; I311-I510 HydrophobicContact CG1-CG2 4.12Å; I311-I510 HydrophobicContact CG2-CB 4.29Å; I311-I510 HydrophobicContact CG2-CD1 4.28Å; I311-I510 HydrophobicContact CG2-CG2 4.13Å; T313-I510 HydrophobicContact CG2-CD1 4.14Å; T313-I510 HydrophobicContact CG2-CG2 3.47Å; T313-I510 VanDerWaalsContact CG2-CG2 3.47Å; H443-I510 HydrophobicContact CB-CD1 4.05Å; H443-I510 WeakPolarHBondContact CD2-CD1 3.41Å; H443-I510 VanDerWaalsContact CG-CD1 3.47Å; I510-L568 WeakPolarHBondContact CA-O 3.4Å; I510-E569 HydrophobicContact CG1-CG 4.15Å; I510-E569 HydrophobicContact CG2-CG 4.25Å; I510-V596 CarbonylContact O-C 3.5Å; I510-V596 WeakPolarHBondContact O-CA 3.36Å; I510-F597 HydrophobicContact CB-CB 4.21Å; I510-F597 PolarHBondContact N-O 3.2Å; I510-F597 PolarHBondContact O-N 2.96Å
511	V	97.3	Very high	82.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.2	178.5	-175.5	0	0	0	0	108.8	I509 F531 I533 T567 L568 L579 R595 V596	I509-V511 HydrophobicContact CD1-CG2 3.86Å; V511-F531 HydrophobicContact CB-CE2 3.7Å; V511-F531 HydrophobicContact CB-CZ 3.7Å; V511-F531 HydrophobicContact CG1-CD2 3.97Å; V511-F531 HydrophobicContact CG1-CE1 4.29Å; V511-F531 HydrophobicContact CG1-CE2 3.46Å; V511-F531 VanDerWaalsContact CG1-CE2 3.46Å; V511-F531 HydrophobicContact CG1-CZ 3.62Å; V511-I533 HydrophobicContact CB-CD1 4.28Å; V511-I533 HydrophobicContact CG1-CD1 4.3Å; V511-I533 HydrophobicContact CG2-CD1 3.69Å; V511-T567 CarbonylContact O-C 3.51Å; V511-T567 WeakPolarHBondContact O-CA 3.47Å; V511-L568 PolarHBondContact N-O 2.59Å; V511-L568 PolarHBondContact O-N 2.88Å; V511-L579 HydrophobicContact CG1-CD1 3.92Å; V511-L579 HydrophobicContact CG1-CD2 3.99Å; V511-R595 CarbonylContact C-O 3.48Å; V511-R595 WeakPolarHBondContact CA-O 3.15Å; V511-V596 HydrophobicContact CG1-CG2 4.16Å; V511-V596 HydrophobicContact CG2-CB 4.48Å; V511-V596 HydrophobicContact CG2-CG1 4.01Å; V511-V596 HydrophobicContact CG2-CG2 4.03Å
512	G	96.5	Very high	82.2	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.5	-179.3	0	0	0	0	0	112.3	V566 C594 R595	G512-V566 WeakPolarHBondContact CA-O 3.47Å; G512-C594 CarbonylContact O-C 3.5Å; G512-C594 WeakPolarHBondContact O-CA 3.39Å; G512-R595 PolarHBondContact N-O 2.58Å; G512-R595 PolarHBondContact O-N 2.74Å
513	V	96.8	Very high	82.4	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.8	169.5	-177.5	0	0	0	0	108.4	W470 I529 F531 E565 V566 P581 Y592 I593	W470-V513 HydrophobicContact CH2-CG1 3.95Å; W470-V513 HydrophobicContact CZ2-CG1 4.37Å; V513-I529 HydrophobicContact CG1-CD1 4.27Å; V513-I529 WeakPolarHBondContact O-CD1 3.47Å; V513-F531 HydrophobicContact CB-CD1 4.17Å; V513-F531 HydrophobicContact CG2-CB 4Å; V513-F531 HydrophobicContact CG2-CD1 3.39Å; V513-F531 HydrophobicContact CG2-CE1 4.08Å; V513-F531 HydrophobicContact CG2-CG 3.93Å; V513-E565 WeakPolarHBondContact O-CA 3.42Å; V513-V566 PolarHBondContact N-O 3.49Å; V513-V566 PolarHBondContact O-N 3.33Å; V513-P581 HydrophobicContact CG1-CB 4.08Å; V513-P581 HydrophobicContact CG2-CB 4.01Å; V513-Y592 HydrophobicContact CG1-CD2 4.44Å; V513-I593 WeakPolarHBondContact CA-O 3.42Å
514	M	94.4	Very high	82.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.3	-176.3	-169.7	-163.6	-70.8	0	0	111.6	W242 F244 E305 R564 E565 Y592 I593	W242-M514 HydrophobicContact CH2-CE 4.41Å; W242-M514 HydrophobicContact CZ3-CE 3.95Å; W242-M514 HydrophobicContact CZ3-SD 4.29Å; F244-M514 HydrophobicContact CD1-CG 4.28Å; F244-M514 HydrophobicContact CD1-SD 3.74Å; F244-M514 HydrophobicContact CE1-CB 4.38Å; F244-M514 HydrophobicContact CE1-CG 3.56Å; F244-M514 HydrophobicContact CE1-SD 3.28Å; F244-M514 WeakPolarHBondContact CE1-SD 3.41Å; F244-M514 HydrophobicContact CZ-CG 4.35Å; F244-M514 HydrophobicContact CZ-SD 3.88Å; E305-M514 HydrophobicContact CB-CE 4.32Å; E305-M514 HydrophobicContact CG-CE 4.01Å; E305-M514 WeakPolarHBondContact OE2-CE 3.26Å; M514-R564 CarbonylContact C-O 3.52Å; M514-R564 VanDerWaalsContact CA-O 3.23Å; M514-R564 WeakPolarHBondContact CA-O 3.37Å; M514-R564 HydrophobicContact CG-CG 3.92Å; M514-R564 VanDerWaalsContact CG-O 3.3Å; M514-R564 WeakPolarHBondContact CG-O 3.49Å; M514-R564 HydrophobicContact SD-CG 4.37Å; M514-R564 PolarHBondContact SD-NE 2.93Å; M514-E565 HydrophobicContact CB-CB 3.88Å; M514-E565 HydrophobicContact CB-CG 3.77Å; M514-E565 HydrophobicContact CE-CB 4.1Å; M514-E565 HydrophobicContact CE-CG 4.3Å; M514-E565 WeakPolarHBondContact CE-OE2 3.16Å; M514-E565 HydrophobicContact CG-CB 3.87Å; M514-E565 HydrophobicContact CG-CG 4.3Å; M514-Y592 CarbonylContact O-C 3.58Å; M514-Y592 WeakPolarHBondContact O-CA 2.97Å; M514-Y592 VanDerWaalsContact O-CB 3.29Å; M514-Y592 WeakPolarHBondContact O-CB 3.49Å; M514-I593 HydrophobicContact CB-CD1 4.23Å; M514-I593 HydrophobicContact CB-CG1 3.72Å; M514-I593 PolarHBondContact N-O 3.32Å; M514-I593 PolarHBondContact O-N 3.13Å; M514-I593 HydrophobicContact SD-CD1 4.33Å
515	Q	91.9	Very high	82.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135	179.4	62.5	-174.7	-72.8	0	0	113.6	F244 R518 Y526 L527 I529 R563 R564	F244-Q515 WeakPolarHBondContact CE1-O 3.47Å; F244-Q515 WeakPolarHBondContact CZ-O 3.44Å; Q515-R518 HydrophobicContact CB-CG 4.39Å; Q515-R518 HydrophobicContact CG-CG 3.89Å; Q515-Y526 HydrophobicContact CG-CD1 3.85Å; Q515-Y526 HydrophobicContact CG-CE1 4.46Å; Q515-L527 PolarHBondContact NE2-O 2.91Å; Q515-I529 HydrophobicContact CB-CD1 4.26Å; Q515-I529 HydrophobicContact CG-CD1 4.35Å; Q515-R563 PolarHBondContact NE2-O 2.8Å; Q515-R564 PolarHBondContact N-O 2.69Å
516	E	87	Confident	82.9	Confident	32 Å²	32	46.4 Å²	46.4	15%	0.15	23%	0.23	C	C	.	.	S	Bend	trans	-76.2	137.1	-168.4	-142.5	-165.2	163.1	0	0	115.4	F244 R518 R591	F244-E516 HydrophobicContact CB-CG 3.9Å; F244-E516 HydrophobicContact CD1-CB 4.07Å; F244-E516 HydrophobicContact CD1-CG 3.71Å; F244-E516 HydrophobicContact CD2-CB 4.48Å; F244-E516 HydrophobicContact CD2-CG 3.57Å; F244-E516 HydrophobicContact CE1-CB 4.16Å; F244-E516 HydrophobicContact CE1-CG 4.17Å; F244-E516 HydrophobicContact CE2-CG 4.06Å; F244-E516 HydrophobicContact CG-CB 4.27Å; F244-E516 HydrophobicContact CG-CG 3.41Å; F244-E516 VanDerWaalsContact CG-CG 3.41Å; F244-E516 HydrophobicContact CZ-CB 4.43Å; F244-E516 HydrophobicContact CZ-CG 4.36Å; E516-R518 WeakPolarHBondContact O-CG 3.42Å; E516-R518 PolarHBondContact O-N 2.85Å; E516-R591 HydrophobicContact CB-CB 3.85Å; E516-R591 VanDerWaalsContact CD-NH1 3.32Å; E516-R591 PolarHBondContact N-O 3.3Å; E516-R591 IonicContact OE1-CZ 2.71Å; E516-R591 IonicContact OE1-NH1 2.61Å; E516-R591 PolarHBondContact OE1-NH1 2.87Å; E516-R591 IonicContact OE1-NH2 3.14Å; E516-R591 WeakPolarHBondContact OE2-CB 3.35Å; E516-R591 WeakPolarHBondContact OE2-CD 3.07Å; E516-R591 IonicContact OE2-CZ 2.86Å; E516-R591 IonicContact OE2-NE 2.71Å; E516-R591 PolarHBondContact OE2-NE 2.79Å; E516-R591 IonicContact OE2-NH1 3.12Å; E516-R591 PolarHBondContact OE2-NH1 3.26Å; E516-R591 IonicContact OE2-NH2 3.55Å; E516-R591 PolarHBondContact OE2-NH2 3.11Å
517	H	72.8	Confident	83.1	Confident	75 Å²	75	41.6 Å²	41.6	35%	0.347	21%	0.21	S	C	.	.	S	Bend	trans	52.3	15.5	166.4	-67.6	-72.9	0	0	0	118.5	F244 R519 F520 L521	F244-H517 VanDerWaalsContact CE2-N 3.31Å; H517-R519 PolarHBondContact O-N 2.79Å; H517-F520 PolarHBondContact O-N 2.88Å; H517-L521 HydrophobicContact CB-CD1 4.14Å; H517-L521 HydrophobicContact CB-CG 4.45Å; H517-L521 WeakPolarHBondContact O-CG 3.46Å; H517-L521 PolarHBondContact O-N 2.81Å; H517-L521 VanDerWaalsContact O-N 3.07Å
518	R	67.8	Low	83.4	Confident	33 Å²	33	42.6 Å²	42.6	13%	0.125	22%	0.218	C	C	.	.	H	α-helix	trans	-68.7	-33.8	-172.8	-58.3	-81.8	-86.5	153.4	7.4	114.4	Q515 E516 L521 Y522 E525 Y526 L527	Q515-R518 HydrophobicContact CB-CG 4.39Å; Q515-R518 HydrophobicContact CG-CG 3.89Å; E516-R518 WeakPolarHBondContact O-CG 3.42Å; E516-R518 PolarHBondContact O-N 2.85Å; R518-L521 PolarHBondContact O-N 2.76Å; R518-Y522 HydrophobicContact CB-CD2 4.2Å; R518-Y522 VanDerWaalsContact NH1-CD2 3.27Å; R518-Y522 WeakPolarHBondContact O-CA 3.44Å; R518-Y522 WeakPolarHBondContact O-CB 3.24Å; R518-Y522 PolarHBondContact O-N 3.29Å; R518-E525 PolarHBondContact NE-O 2.96Å; R518-E525 PolarHBondContact NH2-O 3.43Å; R518-Y526 HydrophobicContact CB-CD1 3.77Å; R518-Y526 HydrophobicContact CB-CE1 3.74Å; R518-Y526 HydrophobicContact CG-CD1 4.23Å; R518-L527 VanDerWaalsContact NH2-CD2 3.28Å; R518-L527 VanDerWaalsContact NH2-CG 3.28Å
519	R	71.9	Confident	83.7	Confident	39 Å²	39	40 Å²	40	15%	0.147	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-40.8	176.3	-178.9	161.6	-78.4	170.9	-3.7	112.3	E302 H517 G523	E302-R519 IonicContact OE1-CZ 3.48Å; E302-R519 IonicContact OE1-NH1 3.23Å; E302-R519 PolarHBondContact OE1-NH1 3.26Å; E302-R519 IonicContact OE1-NH2 3.56Å; E302-R519 PolarHBondContact OE1-NH2 3.2Å; E302-R519 IonicContact OE2-CZ 2.76Å; E302-R519 IonicContact OE2-NE 3.5Å; E302-R519 IonicContact OE2-NH1 3.33Å; E302-R519 PolarHBondContact OE2-NH1 3.48Å; E302-R519 IonicContact OE2-NH2 3.24Å; E302-R519 PolarHBondContact OE2-NH2 3.32Å; H517-R519 PolarHBondContact O-N 2.79Å; R519-G523 WeakPolarHBondContact O-CA 3.42Å; R519-G523 PolarHBondContact O-N 3.39Å; R519-G523 VanDerWaalsContact O-N 3.11Å
520	F	68.1	Low	83.8	Confident	120 Å²	120	40 Å²	40	53%	0.526	21%	0.206	S	C	.	.	H	α-helix	trans	-67.5	-44	175.9	179.4	-96.2	0	0	0	111.8	H517	H517-F520 PolarHBondContact O-N 2.88Å
521	L	69.5	Low	83.9	Confident	103 Å²	103	39.9 Å²	39.9	54%	0.539	21%	0.206	S	C	.	.	H	α-helix	trans	-82.1	-32.6	-174.2	-67	173.1	0	0	0	114.5	H517 R518	H517-L521 HydrophobicContact CB-CD1 4.14Å; H517-L521 HydrophobicContact CB-CG 4.45Å; H517-L521 WeakPolarHBondContact O-CG 3.46Å; H517-L521 PolarHBondContact O-N 2.81Å; H517-L521 VanDerWaalsContact O-N 3.07Å; R518-L521 PolarHBondContact O-N 2.76Å
522	Y	69.1	Low	83.9	Confident	123 Å²	123	39.9 Å²	39.9	48%	0.482	21%	0.206	S	C	.	.	H	α-helix	trans	-134.3	14.6	-167.6	-50.4	-77.3	0	0	0	113.7	R518 G524 E525	R518-Y522 HydrophobicContact CB-CD2 4.2Å; R518-Y522 VanDerWaalsContact NH1-CD2 3.27Å; R518-Y522 WeakPolarHBondContact O-CA 3.44Å; R518-Y522 WeakPolarHBondContact O-CB 3.24Å; R518-Y522 PolarHBondContact O-N 3.29Å; Y522-G524 PolarHBondContact O-N 3.12Å; Y522-E525 PolarHBondContact O-N 2.85Å
523	G	65.3	Low	84	Confident	60 Å²	60	39.9 Å²	39.9	62%	0.619	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	16.7	177.1	0	0	0	0	0	115	R519	R519-G523 WeakPolarHBondContact O-CA 3.42Å; R519-G523 PolarHBondContact O-N 3.39Å; R519-G523 VanDerWaalsContact O-N 3.11Å
524	G	68.5	Low	84	Confident	22 Å²	22	40 Å²	40	23%	0.227	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	9	179	0	0	0	0	0	115.5	Y522 Y526	Y522-G524 PolarHBondContact O-N 3.12Å; G524-Y526 WeakPolarHBondContact O-CD2 3.45Å; G524-Y526 WeakPolarHBondContact O-CE2 3.38Å; G524-Y526 PolarHBondContact O-N 2.86Å
525	E	77.7	Confident	84.1	Confident	148 Å²	148	45.7 Å²	45.7	69%	0.692	23%	0.233	S	C	*	.			trans	-72.6	103.9	168.3	-69.6	-167.2	167.6	0	0	111.3	R518 Y522	R518-E525 PolarHBondContact NE-O 2.96Å; R518-E525 PolarHBondContact NH2-O 3.43Å; Y522-E525 PolarHBondContact O-N 2.85Å
526	Y	87.2	Confident	84.2	Confident	34 Å²	34	46.5 Å²	46.5	13%	0.133	24%	0.238	C	C	.	.			trans	-95.2	143.6	-177.4	-66.9	-64.2	0	0	0	111.9	Q515 R518 G524 P562 R564	Q515-Y526 HydrophobicContact CG-CD1 3.85Å; Q515-Y526 HydrophobicContact CG-CE1 4.46Å; R518-Y526 HydrophobicContact CB-CD1 3.77Å; R518-Y526 HydrophobicContact CB-CE1 3.74Å; R518-Y526 HydrophobicContact CG-CD1 4.23Å; G524-Y526 WeakPolarHBondContact O-CD2 3.45Å; G524-Y526 WeakPolarHBondContact O-CE2 3.38Å; G524-Y526 PolarHBondContact O-N 2.86Å; Y526-P562 VanDerWaalsContact CB-C 3.47Å; Y526-P562 WeakPolarHBondContact O-CB 3.47Å; Y526-R564 HydrophobicContact CD1-CB 4.33Å; Y526-R564 HydrophobicContact CE1-CB 3.66Å; Y526-R564 HydrophobicContact CE1-CG 4.1Å; Y526-R564 HydrophobicContact CE2-CB 4.26Å
527	L	92.3	Very high	84.5	Confident	22 Å²	22	48.2 Å²	48.2	12%	0.115	25%	0.253	C	S	.	.			trans	-68.1	144.9	167.6	-63.5	-178	0	0	0	109.3	Q515 R518 I529 P562 T583 Q588 A590	Q515-L527 PolarHBondContact NE2-O 2.91Å; R518-L527 VanDerWaalsContact NH2-CD2 3.28Å; R518-L527 VanDerWaalsContact NH2-CG 3.28Å; L527-I529 HydrophobicContact CB-CG2 4Å; L527-I529 PolarHBondContact O-N 3.02Å; L527-I529 VanDerWaalsContact O-N 3.17Å; L527-P562 WeakPolarHBondContact O-CA 3.47Å; L527-T583 HydrophobicContact CD1-CG2 3.82Å; L527-Q588 HydrophobicContact CD1-CB 4.04Å; L527-A590 HydrophobicContact CD1-CB 3.79Å
528	A	95.7	Very high	85.1	Confident	26 Å²	26	52.4 Å²	52.4	22%	0.215	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	110.5	165.3	0	0	0	0	0	108.6	Y584	A528-Y584 PolarHBondContact O-N 2.94Å
529	I	97.1	Very high	86.1	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	154.7	-178.1	59.9	174.5	0	0	0	110	W470 V513 Q515 L527 Y560 I561 V566 T583	W470-I529 HydrophobicContact CH2-CB 4.24Å; W470-I529 HydrophobicContact CH2-CG2 3.81Å; W470-I529 HydrophobicContact CZ3-CG2 3.92Å; V513-I529 HydrophobicContact CG1-CD1 4.27Å; V513-I529 WeakPolarHBondContact O-CD1 3.47Å; Q515-I529 HydrophobicContact CB-CD1 4.26Å; Q515-I529 HydrophobicContact CG-CD1 4.35Å; L527-I529 HydrophobicContact CB-CG2 4Å; L527-I529 PolarHBondContact O-N 3.02Å; L527-I529 VanDerWaalsContact O-N 3.17Å; I529-Y560 WeakPolarHBondContact O-CA 3.48Å; I529-I561 PolarHBondContact N-O 2.96Å; I529-I561 PolarHBondContact O-N 3.32Å; I529-V566 HydrophobicContact CD1-CG2 4.23Å; I529-V566 HydrophobicContact CG1-CB 4.46Å; I529-V566 HydrophobicContact CG1-CG2 3.67Å; I529-T583 HydrophobicContact CG2-CG2 4.22Å
530	G	97.4	Very high	86.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	-174	175.5	0	0	0	0	0	111.1	S558 S582	G530-S558 WeakPolarHBondContact CA-OG 3.48Å; G530-S582 PolarHBondContact N-O 3.25Å; G530-S582 PolarHBondContact O-N 3.26Å; G530-S582 VanDerWaalsContact O-O 3.05Å
531	F	98.2	Very high	87.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	161.4	179.1	57	-90.2	0	0	0	112.6	V511 V513 I533 T557 S558 V566 L568 L579 I580	V511-F531 HydrophobicContact CB-CE2 3.7Å; V511-F531 HydrophobicContact CB-CZ 3.7Å; V511-F531 HydrophobicContact CG1-CD2 3.97Å; V511-F531 HydrophobicContact CG1-CE1 4.29Å; V511-F531 HydrophobicContact CG1-CE2 3.46Å; V511-F531 VanDerWaalsContact CG1-CE2 3.46Å; V511-F531 HydrophobicContact CG1-CZ 3.62Å; V513-F531 HydrophobicContact CB-CD1 4.17Å; V513-F531 HydrophobicContact CG2-CB 4Å; V513-F531 HydrophobicContact CG2-CD1 3.39Å; V513-F531 HydrophobicContact CG2-CE1 4.08Å; V513-F531 HydrophobicContact CG2-CG 3.93Å; F531-I533 HydrophobicContact CD2-CD1 4.27Å; F531-I533 HydrophobicContact CD2-CG1 4.14Å; F531-I533 HydrophobicContact CE2-CD1 4.01Å; F531-I533 HydrophobicContact CE2-CG1 4.38Å; F531-T557 WeakPolarHBondContact O-CA 3.31Å; F531-S558 WeakPolarHBondContact CD1-OG 3.21Å; F531-S558 PolarHBondContact N-OG 2.88Å; F531-S558 PolarHBondContact O-N 3.45Å; F531-V566 HydrophobicContact CE1-CG1 4.38Å; F531-L568 HydrophobicContact CE2-CB 4.07Å; F531-L568 HydrophobicContact CZ-CB 3.61Å; F531-L579 HydrophobicContact CB-CD1 3.74Å; F531-L579 HydrophobicContact CD2-CD1 3.54Å; F531-L579 HydrophobicContact CE2-CD1 4.39Å; F531-L579 HydrophobicContact CG-CD1 3.86Å; F531-I580 CarbonylContact C-O 3.56Å; F531-I580 VanDerWaalsContact CA-O 3.23Å; F531-I580 WeakPolarHBondContact CA-O 3.48Å; F531-I580 WeakPolarHBondContact CB-O 3.25Å
532	S	97.7	Very high	88.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.9	173.3	-62.8	0	0	0	0	110.6	L556 I580	S532-L556 WeakPolarHBondContact CA-O 3.39Å; S532-I580 PolarHBondContact N-O 2.8Å; S532-I580 PolarHBondContact O-N 3.37Å
533	I	97.8	Very high	89.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.6	177.9	-58.4	172.3	0	0	0	108.5	F494 V511 F531 P554 L555 L556 F577 I578 L579	F494-I533 HydrophobicContact CE1-CG2 4.38Å; F494-I533 HydrophobicContact CZ-CG2 4.24Å; V511-I533 HydrophobicContact CB-CD1 4.28Å; V511-I533 HydrophobicContact CG1-CD1 4.3Å; V511-I533 HydrophobicContact CG2-CD1 3.69Å; F531-I533 HydrophobicContact CD2-CD1 4.27Å; F531-I533 HydrophobicContact CD2-CG1 4.14Å; F531-I533 HydrophobicContact CE2-CD1 4.01Å; F531-I533 HydrophobicContact CE2-CG1 4.38Å; I533-P554 CarbonylContact O-C 3.56Å; I533-P554 WeakPolarHBondContact O-CA 3.38Å; I533-L555 WeakPolarHBondContact O-CB 3.48Å; I533-L555 PolarHBondContact O-N 3.28Å; I533-L556 HydrophobicContact CB-CB 4.17Å; I533-L556 HydrophobicContact CD1-CB 4.25Å; I533-L556 HydrophobicContact CD1-CD1 3.98Å; I533-L556 PolarHBondContact N-O 2.95Å; I533-L556 PolarHBondContact O-N 3.48Å; I533-F577 HydrophobicContact CG2-CB 3.95Å; I533-F577 HydrophobicContact CG2-CD1 4.26Å; I533-F577 HydrophobicContact CG2-CG 4.38Å; I533-I578 CarbonylContact C-O 3.57Å; I533-I578 VanDerWaalsContact CA-O 3.29Å; I533-I578 WeakPolarHBondContact CA-O 3.49Å; I533-L579 HydrophobicContact CD1-CD1 4.43Å; I533-L579 HydrophobicContact CG1-CD1 3.82Å
534	F	97	Very high	90.9	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.3	178.2	-62.1	-94.8	0	0	0	109.7	F486 L544 L549 R552 P554 F577 I578 I580	F486-F534 HydrophobicContact CE1-CE2 4.32Å; F486-F534 HydrophobicContact CE1-CZ 4.28Å; F534-L544 HydrophobicContact CB-CD1 4.48Å; F534-L549 HydrophobicContact CD1-CD2 4.48Å; F534-L549 HydrophobicContact CD2-CD2 4.3Å; F534-L549 HydrophobicContact CE1-CD2 4.06Å; F534-L549 HydrophobicContact CE2-CD2 3.88Å; F534-L549 HydrophobicContact CZ-CD2 3.74Å; F534-R552 HydrophobicContact CD1-CB 4.08Å; F534-R552 HydrophobicContact CE1-CB 4.25Å; F534-P554 HydrophobicContact CD1-CB 4.21Å; F534-P554 HydrophobicContact CE1-CB 3.8Å; F534-P554 HydrophobicContact CE1-CG 4.41Å; F534-P554 HydrophobicContact CE2-CB 4.4Å; F534-P554 HydrophobicContact CZ-CB 3.9Å; F534-F577 CarbonylContact O-C 3.54Å; F534-F577 WeakPolarHBondContact O-CA 3.47Å; F534-I578 PolarHBondContact N-O 3.16Å; F534-I578 PolarHBondContact O-N 2.65Å; F534-I580 HydrophobicContact CD2-CD1 4.16Å; F534-I580 HydrophobicContact CD2-CG1 4.42Å; F534-I580 HydrophobicContact CE2-CD1 3.88Å; F534-I580 HydrophobicContact CE2-CG1 4.34Å
535	E	95.9	Very high	91.9	Very high	121 Å²	121	50.1 Å²	50.1	57%	0.565	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	135.2	167.8	-171.8	173.6	-168.9	0	0	109.6	L555 F577	E535-L555 HydrophobicContact CB-CD2 4.42Å; E535-F577 HydrophobicContact CB-CD1 4.16Å; E535-F577 HydrophobicContact CB-CE1 4.16Å; E535-F577 HydrophobicContact CG-CD1 4.37Å; E535-F577 HydrophobicContact CG-CE1 4.04Å
536	V	95.2	Very high	92.5	Very high	16 Å²	16	44.1 Å²	44.1	10%	0.097	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	164.4	-177.3	-59	0	0	0	0	111.7	L493 Q540 L544 T576 I578	L493-V536 HydrophobicContact CD1-CG2 3.97Å; V536-Q540 HydrophobicContact CB-CB 4.14Å; V536-Q540 HydrophobicContact CB-CG 4.23Å; V536-Q540 HydrophobicContact CG2-CB 3.91Å; V536-Q540 HydrophobicContact CG2-CG 4.15Å; V536-L544 HydrophobicContact CG1-CD2 4.5Å; V536-T576 HydrophobicContact CG2-CG2 3.79Å; V536-T576 PolarHBondContact N-O 3.45Å; V536-I578 HydrophobicContact CG1-CD1 3.81Å; V536-I578 HydrophobicContact CG1-CG1 3.98Å; V536-I578 HydrophobicContact CG2-CD1 4.29Å; V536-I578 HydrophobicContact CG2-CG1 4Å
537	S	92.3	Very high	92.6	Very high	69 Å²	69	48.3 Å²	48.3	48%	0.483	26%	0.257	S	S	.	.			trans	-64.1	148.2	173.1	177.6	0	0	0	0	111.4	L539 Q540	S537-L539 PolarHBondContact O-N 3.13Å; S537-L539 VanDerWaalsContact O-N 3.13Å; S537-L539 PolarHBondContact OG-N 2.95Å; S537-Q540 WeakPolarHBondContact O-CB 3.42Å; S537-Q540 PolarHBondContact O-N 3.2Å
538	E	86.7	Confident	92.6	Very high	163 Å²	163	49.9 Å²	49.9	76%	0.762	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-19	172.3	-61.7	-172.3	165.2	0	0	113.1	Q540	E538-Q540 VanDerWaalsContact C-N 3.29Å
539	L	86.7	Confident	92.5	Very high	152 Å²	152	49.1 Å²	49.1	80%	0.796	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-5.5	176.4	-59.7	177	0	0	0	113.3	S537 N541	S537-L539 PolarHBondContact O-N 3.13Å; S537-L539 VanDerWaalsContact O-N 3.13Å; S537-L539 PolarHBondContact OG-N 2.95Å; L539-N541 PolarHBondContact O-N 2.9Å; L539-N541 VanDerWaalsContact O-N 3.15Å
540	Q	88	Confident	92.1	Very high	29 Å²	29	54.4 Å²	54.4	14%	0.136	28%	0.284	C	S	.	.			trans	-69.2	110.6	-178.2	-171.3	72.5	44.4	0	0	110.5	L493 V536 S537 E538 T542 I578	L493-Q540 HydrophobicContact CD1-CB 4.35Å; L493-Q540 HydrophobicContact CD1-CG 4.41Å; V536-Q540 HydrophobicContact CB-CB 4.14Å; V536-Q540 HydrophobicContact CB-CG 4.23Å; V536-Q540 HydrophobicContact CG2-CB 3.91Å; V536-Q540 HydrophobicContact CG2-CG 4.15Å; S537-Q540 WeakPolarHBondContact O-CB 3.42Å; S537-Q540 PolarHBondContact O-N 3.2Å; E538-Q540 VanDerWaalsContact C-N 3.29Å; Q540-T542 PolarHBondContact NE2-O 3.16Å; Q540-I578 HydrophobicContact CG-CD1 3.97Å
541	N	86.1	Confident	91.8	Very high	111 Å²	111	60 Å²	60	59%	0.594	32%	0.321	S	S	*	.			trans	-123	-3.6	177.4	64.7	-8.5	0	0	0	113.7	L539	L539-N541 PolarHBondContact O-N 2.9Å; L539-N541 VanDerWaalsContact O-N 3.15Å
542	T	89	Confident	91.6	Very high	74 Å²	74	63.4 Å²	63.4	45%	0.454	33%	0.334	S	S	.	.	S	Bend	trans	-112.8	162.5	177.1	59.5	0	0	0	0	111.8	Q540	Q540-T542 PolarHBondContact NE2-O 3.16Å
543	R	90.8	Very high	91.4	Very high	27 Å²	27	72.3 Å²	72.3	10%	0.102	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-60.8	143.8	170.7	-60.4	175.8	72.5	-117.2	-1.8	110.5	C487 T488 N489 L607	C487-R543 PolarHBondContact O-NH2 2.89Å; T488-R543 PolarHBondContact O-NH2 2.9Å; N489-R543 PolarHBondContact O-NH2 2.96Å; R543-L607 HydrophobicContact CG-CB 3.94Å
544	L	92.3	Very high	91.3	Very high	3 Å²	3	72.9 Å²	72.9	2%	0.016	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-69	136.1	171.6	-60.9	-179.6	0	0	0	110.5	Q491 F534 V536 E548 L549 I578	Q491-L544 PolarHBondContact NE2-O 2.93Å; F534-L544 HydrophobicContact CB-CD1 4.48Å; V536-L544 HydrophobicContact CG1-CD2 4.5Å; L544-E548 WeakPolarHBondContact CA-OE2 3.35Å; L544-L549 HydrophobicContact CB-CD1 4.22Å; L544-L549 HydrophobicContact CB-CD2 4.06Å; L544-L549 HydrophobicContact CB-CG 3.88Å; L544-L549 HydrophobicContact CD1-CD2 3.63Å; L544-L549 HydrophobicContact CD1-CG 4.36Å; L544-I578 HydrophobicContact CD1-CD1 3.82Å; L544-I578 HydrophobicContact CD2-CD1 3.96Å; L544-I578 HydrophobicContact CG-CD1 3.62Å
545	T	89.5	Confident	91.3	Very high	56 Å²	56	76.4 Å²	76.4	34%	0.344	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-78	162.9	178.6	84.8	0	0	0	0	111.7	E547 E548 L549	T545-E547 VanDerWaalsContact C-N 3.26Å; T545-E547 WeakPolarHBondContact CB-OE2 3.48Å; T545-E547 PolarHBondContact O-N 2.74Å; T545-E547 PolarHBondContact OG1-N 2.98Å; T545-E547 PolarHBondContact OG1-OE2 3.23Å; T545-E548 PolarHBondContact N-OE2 3.32Å; T545-E548 PolarHBondContact O-N 3.16Å; T545-E548 PolarHBondContact OG1-N 2.95Å; T545-L549 PolarHBondContact O-N 2.96Å
546	P	89	Confident	91.3	Very high	22 Å²	22	72.3 Å²	72.3	14%	0.143	38%	0.377	C	S	.	.	H	α-helix	trans	-51.4	-45.2	171.7	-19.4	25.7	0	0	0	112.6	C487 E548 L549 L550	C487-P546 HydrophobicContact CB-CB 4.43Å; C487-P546 HydrophobicContact CB-CG 4.17Å; P546-E548 PolarHBondContact O-N 2.77Å; P546-L549 PolarHBondContact O-N 2.78Å; P546-L550 WeakPolarHBondContact O-CB 3.46Å; P546-L550 VanDerWaalsContact O-CG 3.25Å; P546-L550 WeakPolarHBondContact O-CG 3.48Å; P546-L550 PolarHBondContact O-N 3.07Å
547	E	89.9	Confident	91.4	Very high	121 Å²	121	74.6 Å²	74.6	57%	0.565	39%	0.391	S	S	*	.	H	α-helix	trans	-64.5	-41.6	-178.2	-58.3	72.4	-155	0	0	111.6	T545 L550 C551	T545-E547 VanDerWaalsContact C-N 3.26Å; T545-E547 WeakPolarHBondContact CB-OE2 3.48Å; T545-E547 PolarHBondContact O-N 2.74Å; T545-E547 PolarHBondContact OG1-N 2.98Å; T545-E547 PolarHBondContact OG1-OE2 3.23Å; E547-L550 PolarHBondContact O-N 3.35Å; E547-C551 PolarHBondContact O-N 3Å; E547-C551 VanDerWaalsContact O-N 3.09Å; E547-C551 PolarHBondContact O-SG 3.41Å
548	E	91.5	Very high	91.6	Very high	56 Å²	56	71.7 Å²	71.7	26%	0.262	37%	0.371	S	S	.	.	H	α-helix	trans	-63.1	-43.5	176	-68.1	-174.4	110.9	0	0	111.6	L544 T545 P546 L550 C551 R552	L544-E548 WeakPolarHBondContact CA-OE2 3.35Å; T545-E548 PolarHBondContact N-OE2 3.32Å; T545-E548 PolarHBondContact O-N 3.16Å; T545-E548 PolarHBondContact OG1-N 2.95Å; P546-E548 PolarHBondContact O-N 2.77Å; E548-L550 VanDerWaalsContact C-N 3.33Å; E548-C551 PolarHBondContact O-N 3.44Å; E548-R552 WeakPolarHBondContact O-CB 3.2Å; E548-R552 WeakPolarHBondContact O-CD 3.47Å; E548-R552 WeakPolarHBondContact O-CG 3.36Å; E548-R552 PolarHBondContact O-N 3.04Å; E548-R552 IonicContact OE1-CZ 2.9Å; E548-R552 IonicContact OE1-NH2 3.6Å; E548-R552 PolarHBondContact OE1-NH2 2.78Å
549	L	93.4	Very high	91.9	Very high	10 Å²	10	70.1 Å²	70.1	5%	0.052	37%	0.367	C	S	.	.	H	α-helix	trans	-70.2	-29.5	179.4	-72.1	170.8	0	0	0	112.9	F486 C487 F534 L544 T545 P546 I580	F486-L549 HydrophobicContact CD1-CD1 4.06Å; F486-L549 HydrophobicContact CE1-CD1 4.32Å; F486-L549 HydrophobicContact CE1-CD2 4.33Å; C487-L549 HydrophobicContact CB-CD1 3.68Å; F534-L549 HydrophobicContact CD1-CD2 4.48Å; F534-L549 HydrophobicContact CD2-CD2 4.3Å; F534-L549 HydrophobicContact CE1-CD2 4.06Å; F534-L549 HydrophobicContact CE2-CD2 3.88Å; F534-L549 HydrophobicContact CZ-CD2 3.74Å; L544-L549 HydrophobicContact CB-CD1 4.22Å; L544-L549 HydrophobicContact CB-CD2 4.06Å; L544-L549 HydrophobicContact CB-CG 3.88Å; L544-L549 HydrophobicContact CD1-CD2 3.63Å; L544-L549 HydrophobicContact CD1-CG 4.36Å; T545-L549 PolarHBondContact O-N 2.96Å; P546-L549 PolarHBondContact O-N 2.78Å; L549-I580 HydrophobicContact CD1-CD1 4.19Å; L549-I580 HydrophobicContact CD2-CD1 3.82Å
550	L	90.3	Very high	92.4	Very high	111 Å²	111	65.3 Å²	65.3	58%	0.581	34%	0.339	S	S	*	.	H	α-helix	trans	-68.3	-39.6	172.9	-76.2	170.1	0	0	0	111.8	P483 P546 E547 E548	P483-L550 HydrophobicContact CB-CD2 3.79Å; P546-L550 WeakPolarHBondContact O-CB 3.46Å; P546-L550 VanDerWaalsContact O-CG 3.25Å; P546-L550 WeakPolarHBondContact O-CG 3.48Å; P546-L550 PolarHBondContact O-N 3.07Å; E547-L550 PolarHBondContact O-N 3.35Å; E548-L550 VanDerWaalsContact C-N 3.33Å
551	C	91.2	Very high	92.6	Very high	117 Å²	117	66.6 Å²	66.6	79%	0.791	35%	0.346	S	S	*	.	H	α-helix	trans	-86.8	-17.5	-178.9	-65.9	0	0	0	0	114.1	E547 E548	E547-C551 PolarHBondContact O-N 3Å; E547-C551 VanDerWaalsContact O-N 3.09Å; E547-C551 PolarHBondContact O-SG 3.41Å; E548-C551 PolarHBondContact O-N 3.44Å
552	R	93	Very high	92.9	Very high	71 Å²	71	65.2 Å²	65.2	27%	0.268	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-92.8	133	-179.1	-71.1	171.6	-172	-156.2	11.2	111.7	F534 E548	F534-R552 HydrophobicContact CD1-CB 4.08Å; F534-R552 HydrophobicContact CE1-CB 4.25Å; E548-R552 WeakPolarHBondContact O-CB 3.2Å; E548-R552 WeakPolarHBondContact O-CD 3.47Å; E548-R552 WeakPolarHBondContact O-CG 3.36Å; E548-R552 PolarHBondContact O-N 3.04Å; E548-R552 IonicContact OE1-CZ 2.9Å; E548-R552 IonicContact OE1-NH2 3.6Å; E548-R552 PolarHBondContact OE1-NH2 2.78Å
553	K	93.5	Very high	92.9	Very high	188 Å²	188	65.9 Å²	65.9	82%	0.817	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-84.6	130.5	167	-170.8	-178.1	175.7	-177.5	0	108.8
554	P	95.6	Very high	92.9	Very high	12 Å²	12	65.1 Å²	65.1	8%	0.078	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-62	141.3	172	26.2	-33.4	0	0	0	110	I533 F534 T557	I533-P554 CarbonylContact O-C 3.56Å; I533-P554 WeakPolarHBondContact O-CA 3.38Å; F534-P554 HydrophobicContact CD1-CB 4.21Å; F534-P554 HydrophobicContact CE1-CB 3.8Å; F534-P554 HydrophobicContact CE1-CG 4.41Å; F534-P554 HydrophobicContact CE2-CB 4.4Å; F534-P554 HydrophobicContact CZ-CB 3.9Å; P554-T557 WeakPolarHBondContact CG-OG1 3.23Å
555	L	96.7	Very high	92.9	Very high	75 Å²	75	65.7 Å²	65.7	39%	0.393	34%	0.337	S	S	.	.	S	Bend	trans	-67	-43.5	172.2	-178.8	65.1	0	0	0	110.2	I533 E535 L572 F577	I533-L555 WeakPolarHBondContact O-CB 3.48Å; I533-L555 PolarHBondContact O-N 3.28Å; E535-L555 HydrophobicContact CB-CD2 4.42Å; L555-L572 HydrophobicContact CD2-CD1 4.16Å; L555-L572 HydrophobicContact CD2-CD2 3.74Å; L555-L572 HydrophobicContact CG-CD2 4.4Å; L555-F577 HydrophobicContact CD2-CD1 3.95Å; L555-F577 HydrophobicContact CD2-CE1 3.58Å
556	L	96.8	Very high	93.2	Very high	35 Å²	35	63.2 Å²	63.2	18%	0.183	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.9	177.3	-56.3	166.5	0	0	0	109.3	S532 I533 L568 A570 L572	S532-L556 WeakPolarHBondContact CA-O 3.39Å; I533-L556 HydrophobicContact CB-CB 4.17Å; I533-L556 HydrophobicContact CD1-CB 4.25Å; I533-L556 HydrophobicContact CD1-CD1 3.98Å; I533-L556 PolarHBondContact N-O 2.95Å; I533-L556 PolarHBondContact O-N 3.48Å; L556-L568 HydrophobicContact CB-CD1 4.43Å; L556-L568 HydrophobicContact CB-CD2 4.18Å; L556-L568 HydrophobicContact CD1-CD2 3.81Å; L556-L568 HydrophobicContact CD2-CD2 4.26Å; L556-L568 HydrophobicContact CG-CD2 4.3Å; L556-A570 HydrophobicContact CD1-CB 3.45Å; L556-A570 VanDerWaalsContact CD1-CB 3.45Å; L556-A570 HydrophobicContact CD2-CB 4Å; L556-A570 HydrophobicContact CG-CB 4.38Å; L556-L572 HydrophobicContact CD1-CD1 4.17Å; L556-L572 HydrophobicContact CD1-CD2 4.05Å; L556-L572 HydrophobicContact CD1-CG 4.42Å
557	T	96.5	Very high	93.6	Very high	65 Å²	65	64.1 Å²	64.1	40%	0.399	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	130.3	172.9	-55.9	0	0	0	0	107.3	F531 P554 L568	F531-T557 WeakPolarHBondContact O-CA 3.31Å; P554-T557 WeakPolarHBondContact CG-OG1 3.23Å; T557-L568 WeakPolarHBondContact O-CD1 3.37Å
558	S	96.4	Very high	93.8	Very high	7 Å²	7	59.8 Å²	59.8	5%	0.049	31%	0.308	C	S	.	.			trans	-78.8	159.3	171.5	79.4	0	0	0	0	110.7	G530 F531	G530-S558 WeakPolarHBondContact CA-OG 3.48Å; F531-S558 WeakPolarHBondContact CD1-OG 3.21Å; F531-S558 PolarHBondContact N-OG 2.88Å; F531-S558 PolarHBondContact O-N 3.45Å
559	D	94.5	Very high	93.9	Very high	130 Å²	130	59.9 Å²	59.9	70%	0.695	31%	0.309	S	S	*	.			trans	-66	151.8	163.2	-63.8	-48.5	0	0	0	110.3	I561	D559-I561 HydrophobicContact CB-CG2 4.07Å
560	Y	96.4	Very high	93.9	Very high	51 Å²	51	60.1 Å²	60.1	20%	0.2	31%	0.312	C	S	.	.			trans	-93.6	104.9	171.9	-75.9	-100.7	0	0	0	109.3	S479 I529 S582 Y584	S479-Y560 WeakPolarHBondContact CA-OH 3.49Å; S479-Y560 VanDerWaalsContact CB-CZ 3.48Å; S479-Y560 WeakPolarHBondContact CB-OH 3.4Å; I529-Y560 WeakPolarHBondContact O-CA 3.48Å; Y560-S582 WeakPolarHBondContact CE1-O 3.4Å; Y560-S582 PolarHBondContact OH-OG 3.05Å; Y560-Y584 VanDerWaalsContact CD1-CA 3.49Å; Y560-Y584 AromaticContact CD1-CD2 3.98Å; Y560-Y584 HydrophobicContact CD1-CD2 3.98Å; Y560-Y584 HydrophobicContact CD1-CG 4.34Å; Y560-Y584 HydrophobicContact CD2-CD2 4.26Å; Y560-Y584 AromaticContact CG-CD2 3.74Å; Y560-Y584 HydrophobicContact CG-CD2 3.74Å; Y560-Y584 HydrophobicContact CG-CG 4.46Å
561	I	92.8	Very high	94	Very high	56 Å²	56	58.9 Å²	58.9	29%	0.287	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.7	-174.7	60.1	-178.3	0	0	0	111.1	I529 D559 R563 V566	I529-I561 PolarHBondContact N-O 2.96Å; I529-I561 PolarHBondContact O-N 3.32Å; D559-I561 HydrophobicContact CB-CG2 4.07Å; I561-R563 VanDerWaalsContact C-N 3.27Å; I561-R563 HydrophobicContact CD1-CG 4.09Å; I561-R563 HydrophobicContact CG1-CB 4.36Å; I561-R563 HydrophobicContact CG1-CG 4.14Å; I561-R563 PolarHBondContact O-N 2.8Å; I561-V566 HydrophobicContact CD1-CG1 4.25Å; I561-V566 HydrophobicContact CD1-CG2 3.96Å; I561-V566 HydrophobicContact CG1-CB 4.34Å; I561-V566 HydrophobicContact CG1-CG1 4.14Å; I561-V566 HydrophobicContact CG1-CG2 3.35Å
562	P	91.3	Very high	94.1	Very high	82 Å²	82	54 Å²	54	53%	0.532	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	75.3	179.2	32.9	-34.9	0	0	0	110.6	Y526 L527	Y526-P562 VanDerWaalsContact CB-C 3.47Å; Y526-P562 WeakPolarHBondContact O-CB 3.47Å; L527-P562 WeakPolarHBondContact O-CA 3.47Å
563	R	89.5	Confident	94.2	Very high	88 Å²	88	56 Å²	56	33%	0.332	28%	0.282	S	S	.	.	S	Bend	trans	-128.5	161.3	178.1	-69.5	-165.7	179.2	-166.6	-1.5	111.9	Q515 I561	Q515-R563 PolarHBondContact NE2-O 2.8Å; I561-R563 VanDerWaalsContact C-N 3.27Å; I561-R563 HydrophobicContact CD1-CG 4.09Å; I561-R563 HydrophobicContact CG1-CB 4.36Å; I561-R563 HydrophobicContact CG1-CG 4.14Å; I561-R563 PolarHBondContact O-N 2.8Å
564	R	90.5	Very high	94.1	Very high	11 Å²	11	48.8 Å²	48.8	4%	0.042	26%	0.255	C	S	.	.	S	Bend	trans	-54.9	-53.1	172.7	-174.3	-174	163.6	175.4	-8	111.5	R243 E305 D306 M514 Q515 Y526	R243-R564 VanDerWaalsContact NH1-NH1 3.15Å; E305-R564 IonicContact OE2-CZ 3.39Å; E305-R564 IonicContact OE2-NE 3.33Å; D306-R564 VanDerWaalsContact CG-NH1 3.34Å; D306-R564 IonicContact OD1-CZ 3.58Å; D306-R564 VanDerWaalsContact OD1-CZ 3.3Å; D306-R564 IonicContact OD1-NH1 3.49Å; D306-R564 PolarHBondContact OD1-NH1 3.39Å; D306-R564 IonicContact OD1-NH2 3.8Å; D306-R564 PolarHBondContact OD1-NH2 3.04Å; D306-R564 IonicContact OD2-NH1 3.76Å; D306-R564 PolarHBondContact OD2-NH1 2.71Å; M514-R564 CarbonylContact C-O 3.52Å; M514-R564 VanDerWaalsContact CA-O 3.23Å; M514-R564 WeakPolarHBondContact CA-O 3.37Å; M514-R564 HydrophobicContact CG-CG 3.92Å; M514-R564 VanDerWaalsContact CG-O 3.3Å; M514-R564 WeakPolarHBondContact CG-O 3.49Å; M514-R564 HydrophobicContact SD-CG 4.37Å; M514-R564 PolarHBondContact SD-NE 2.93Å; Q515-R564 PolarHBondContact N-O 2.69Å; Y526-R564 HydrophobicContact CD1-CB 4.33Å; Y526-R564 HydrophobicContact CE1-CB 3.66Å; Y526-R564 HydrophobicContact CE1-CG 4.1Å; Y526-R564 HydrophobicContact CE2-CB 4.26Å
565	E	93.5	Very high	94.1	Very high	15 Å²	15	48.8 Å²	48.8	7%	0.07	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.7	174.5	-166.5	158.7	-149.1	0	0	110.1	E305 V513 M514 T567 R595	E305-E565 VanDerWaalsContact CD-OE2 3.27Å; E305-E565 VanDerWaalsContact OE1-OE2 3.12Å; V513-E565 WeakPolarHBondContact O-CA 3.42Å; M514-E565 HydrophobicContact CB-CB 3.88Å; M514-E565 HydrophobicContact CB-CG 3.77Å; M514-E565 HydrophobicContact CE-CB 4.1Å; M514-E565 HydrophobicContact CE-CG 4.3Å; M514-E565 WeakPolarHBondContact CE-OE2 3.16Å; M514-E565 HydrophobicContact CG-CB 3.87Å; M514-E565 HydrophobicContact CG-CG 4.3Å; E565-T567 HydrophobicContact CG-CG2 3.9Å; E565-R595 VanDerWaalsContact CD-NH2 3.32Å; E565-R595 IonicContact OE1-CZ 3.99Å; E565-R595 IonicContact OE1-NE 2.62Å; E565-R595 IonicContact OE1-NH2 3.68Å; E565-R595 PolarHBondContact OE1-NH2 3.29Å; E565-R595 IonicContact OE2-NH2 2.74Å; E565-R595 PolarHBondContact OE2-NH2 3.42Å
566	V	95.1	Very high	94	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.6	171.2	178	0	0	0	0	108	G512 V513 I529 F531 I561	G512-V566 WeakPolarHBondContact CA-O 3.47Å; V513-V566 PolarHBondContact N-O 3.49Å; V513-V566 PolarHBondContact O-N 3.33Å; I529-V566 HydrophobicContact CD1-CG2 4.23Å; I529-V566 HydrophobicContact CG1-CB 4.46Å; I529-V566 HydrophobicContact CG1-CG2 3.67Å; F531-V566 HydrophobicContact CE1-CG1 4.38Å; I561-V566 HydrophobicContact CD1-CG1 4.25Å; I561-V566 HydrophobicContact CD1-CG2 3.96Å; I561-V566 HydrophobicContact CG1-CB 4.34Å; I561-V566 HydrophobicContact CG1-CG1 4.14Å; I561-V566 HydrophobicContact CG1-CG2 3.35Å
567	T	96.3	Very high	94	Very high	41 Å²	41	44 Å²	44	25%	0.252	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.2	-174.6	59.8	0	0	0	0	113.1	I311 C312 V511 E565	I311-T567 HydrophobicContact CD1-CG2 4.21Å; I311-T567 HydrophobicContact CG1-CG2 3.98Å; C312-T567 WeakPolarHBondContact O-CG2 3.49Å; C312-T567 PolarHBondContact O-OG1 3Å; V511-T567 CarbonylContact O-C 3.51Å; V511-T567 WeakPolarHBondContact O-CA 3.47Å; E565-T567 HydrophobicContact CG-CG2 3.9Å
568	L	95.2	Very high	94.1	Very high	31 Å²	31	40.9 Å²	40.9	16%	0.162	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131.9	173.2	-177	150	0	0	0	109.9	I510 V511 F531 L556 T557 A570	I510-L568 WeakPolarHBondContact CA-O 3.4Å; V511-L568 PolarHBondContact N-O 2.59Å; V511-L568 PolarHBondContact O-N 2.88Å; F531-L568 HydrophobicContact CE2-CB 4.07Å; F531-L568 HydrophobicContact CZ-CB 3.61Å; L556-L568 HydrophobicContact CB-CD1 4.43Å; L556-L568 HydrophobicContact CB-CD2 4.18Å; L556-L568 HydrophobicContact CD1-CD2 3.81Å; L556-L568 HydrophobicContact CD2-CD2 4.26Å; L556-L568 HydrophobicContact CG-CD2 4.3Å; T557-L568 WeakPolarHBondContact O-CD1 3.37Å; L568-A570 HydrophobicContact CD2-CB 4Å
569	E	92.7	Very high	94.1	Very high	58 Å²	58	40.6 Å²	40.6	27%	0.271	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.7	172.4	-63.3	-175.1	-154.8	0	0	110.9	T313 H508 I509 I510	T313-E569 WeakPolarHBondContact CB-OE1 3.5Å; T313-E569 HydrophobicContact CG2-CG 3.76Å; T313-E569 WeakPolarHBondContact CG2-OE1 3.16Å; T313-E569 PolarHBondContact OG1-OE1 2.84Å; H508-E569 IonicContact CE1-OE2 3.7Å; H508-E569 PolarHBondContact CE1-OE2 2.96Å; H508-E569 IonicContact NE2-OE2 3.67Å; I509-E569 WeakPolarHBondContact O-CA 3.02Å; I510-E569 HydrophobicContact CG1-CG 4.15Å; I510-E569 HydrophobicContact CG2-CG 4.25Å
570	A	93.4	Very high	94.3	Very high	14 Å²	14	34.4 Å²	34.4	12%	0.116	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	154.5	174.8	0	0	0	0	0	112.6	I509 L556 L568 L572	I509-A570 HydrophobicContact CG1-CB 4.24Å; I509-A570 VanDerWaalsContact CG1-O 3.27Å; I509-A570 WeakPolarHBondContact CG1-O 3.38Å; I509-A570 PolarHBondContact N-O 2.74Å; I509-A570 PolarHBondContact O-N 2.83Å; L556-A570 HydrophobicContact CD1-CB 3.45Å; L556-A570 VanDerWaalsContact CD1-CB 3.45Å; L556-A570 HydrophobicContact CD2-CB 4Å; L556-A570 HydrophobicContact CG-CB 4.38Å; L568-A570 HydrophobicContact CD2-CB 4Å; A570-L572 HydrophobicContact CB-CD2 4.32Å; A570-L572 HydrophobicContact CB-CG 4.43Å
571	D	92.9	Very high	94.4	Very high	86 Å²	86	32 Å²	32	46%	0.46	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	109.9	169.9	-63.5	-36.4	0	0	0	109.9	K506 A507 H508	K506-D571 HydrophobicContact CB-CB 3.98Å; K506-D571 HydrophobicContact CD-CB 3.81Å; A507-D571 WeakPolarHBondContact O-CA 3.46Å; H508-D571 WeakPolarHBondContact CA-OD1 3.46Å; H508-D571 WeakPolarHBondContact CB-OD1 3.46Å; H508-D571 IonicContact CG-OD1 2.68Å; H508-D571 IonicContact ND1-OD1 3.18Å; H508-D571 PolarHBondContact ND1-OD1 3.28Å
572	L	94.3	Very high	94.6	Very high	13 Å²	13	29.3 Å²	29.3	7%	0.068	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.3	-176.2	-63	-167.4	0	0	0	112.2	I496 K506 A507 I509 L555 L556 A570 F577	I496-L572 HydrophobicContact CD1-CB 3.98Å; I496-L572 HydrophobicContact CD1-CD1 4.14Å; K506-L572 CarbonylContact C-O 3.54Å; K506-L572 WeakPolarHBondContact CA-O 3.46Å; A507-L572 PolarHBondContact N-O 3.25Å; A507-L572 PolarHBondContact O-N 3.46Å; I509-L572 HydrophobicContact CD1-CD1 3.41Å; I509-L572 VanDerWaalsContact CD1-CD1 3.41Å; I509-L572 HydrophobicContact CD1-CG 3.88Å; I509-L572 HydrophobicContact CG1-CD1 4.24Å; I509-L572 HydrophobicContact CG1-CG 4.16Å; L555-L572 HydrophobicContact CD2-CD1 4.16Å; L555-L572 HydrophobicContact CD2-CD2 3.74Å; L555-L572 HydrophobicContact CG-CD2 4.4Å; L556-L572 HydrophobicContact CD1-CD1 4.17Å; L556-L572 HydrophobicContact CD1-CD2 4.05Å; L556-L572 HydrophobicContact CD1-CG 4.42Å; A570-L572 HydrophobicContact CB-CD2 4.32Å; A570-L572 HydrophobicContact CB-CG 4.43Å; L572-F577 HydrophobicContact CB-CZ 4.27Å; L572-F577 HydrophobicContact CD1-CD1 4.31Å; L572-F577 HydrophobicContact CD1-CE1 3.96Å; L572-F577 HydrophobicContact CD1-CE2 4.28Å; L572-F577 HydrophobicContact CD1-CZ 3.95Å
573	F	93.3	Very high	94.9	Very high	113 Å²	113	25.4 Å²	25.4	50%	0.496	13%	0.129	S	C	.	.			trans	-70.9	157.5	168	-75.1	-75.3	0	0	0	110.7	V504 K506 G575	V504-F573 HydrophobicContact CG1-CD1 4.38Å; K506-F573 HydrophobicContact CD-CE2 4.35Å; K506-F573 HydrophobicContact CD-CZ 4.44Å; K506-F573 VanDerWaalsContact CE-CE2 3.42Å; K506-F573 HydrophobicContact CG-CD1 4Å; K506-F573 HydrophobicContact CG-CD2 4.16Å; K506-F573 HydrophobicContact CG-CE1 3.87Å; K506-F573 HydrophobicContact CG-CE2 4.05Å; K506-F573 HydrophobicContact CG-CG 4.15Å; K506-F573 HydrophobicContact CG-CZ 3.9Å; F573-G575 PolarHBondContact O-N 2.98Å
574	P	93.2	Very high	95.3	Very high	37 Å²	37	25.8 Å²	25.8	24%	0.24	13%	0.131	C	C	.	.	S	Bend	trans	-52.7	135.4	168.1	-24.7	34.9	0	0	0	110.3	I496 T498 G505	I496-P574 WeakPolarHBondContact O-CA 3.27Å; T498-P574 HydrophobicContact CG2-CB 4.21Å; T498-P574 HydrophobicContact CG2-CG 4.07Å; G505-P574 WeakPolarHBondContact O-CD 3.35Å
575	G	94.3	Very high	95.7	Very high	12 Å²	12	28.2 Å²	28.2	12%	0.124	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.2	178.6	-170.8	0	0	0	0	0	112.5	T495 I496 F573 F577	T495-G575 CarbonylContact C-O 3.57Å; T495-G575 WeakPolarHBondContact CA-O 3.21Å; T495-G575 WeakPolarHBondContact CG2-O 3.38Å; I496-G575 PolarHBondContact N-O 3.17Å; I496-G575 PolarHBondContact O-N 2.96Å; I496-G575 VanDerWaalsContact O-N 3.15Å; F573-G575 PolarHBondContact O-N 2.98Å; G575-F577 VanDerWaalsContact C-CE2 3.44Å; G575-F577 VanDerWaalsContact O-CE2 3.28Å; G575-F577 WeakPolarHBondContact O-CE2 3.34Å
576	T	96.1	Very high	95.8	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.043	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.1	179.1	-59.9	0	0	0	0	110.3	L493 T495 V536	L493-T576 HydrophobicContact CD1-CG2 3.59Å; L493-T576 HydrophobicContact CD2-CG2 4.04Å; L493-T576 HydrophobicContact CG-CG2 3.8Å; T495-T576 PolarHBondContact OG1-OG1 2.92Å; T495-T576 VanDerWaalsContact OG1-OG1 3.13Å; V536-T576 HydrophobicContact CG2-CG2 3.79Å; V536-T576 PolarHBondContact N-O 3.45Å
577	F	96.9	Very high	95.8	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.013	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.5	-171	-52.9	-82	0	0	0	111	L493 F494 I496 I533 F534 E535 L555 L572 G575	L493-F577 CarbonylContact C-O 3.47Å; L493-F577 WeakPolarHBondContact CA-O 3.05Å; F494-F577 HydrophobicContact CD1-CB 4.08Å; F494-F577 HydrophobicContact CD2-CB 4.47Å; F494-F577 HydrophobicContact CD2-CD2 4.26Å; F494-F577 HydrophobicContact CE1-CB 3.55Å; F494-F577 HydrophobicContact CE2-CB 4Å; F494-F577 AromaticContact CE2-CD2 3.76Å; F494-F577 HydrophobicContact CE2-CD2 3.76Å; F494-F577 HydrophobicContact CE2-CG 4.17Å; F494-F577 HydrophobicContact CZ-CB 3.51Å; F494-F577 HydrophobicContact CZ-CD2 4.07Å; F494-F577 AromaticContact CZ-CG 4Å; F494-F577 HydrophobicContact CZ-CG 4Å; F494-F577 PolarHBondContact N-O 3.49Å; F494-F577 PolarHBondContact O-N 2.72Å; I496-F577 HydrophobicContact CB-CE2 4.17Å; I496-F577 HydrophobicContact CD1-CD2 4.06Å; I496-F577 HydrophobicContact CD1-CE2 3.57Å; I496-F577 HydrophobicContact CD1-CZ 4.39Å; I496-F577 HydrophobicContact CG1-CD2 4.09Å; I496-F577 HydrophobicContact CG1-CE2 3.79Å; I533-F577 HydrophobicContact CG2-CB 3.95Å; I533-F577 HydrophobicContact CG2-CD1 4.26Å; I533-F577 HydrophobicContact CG2-CG 4.38Å; F534-F577 CarbonylContact O-C 3.54Å; F534-F577 WeakPolarHBondContact O-CA 3.47Å; E535-F577 HydrophobicContact CB-CD1 4.16Å; E535-F577 HydrophobicContact CB-CE1 4.16Å; E535-F577 HydrophobicContact CG-CD1 4.37Å; E535-F577 HydrophobicContact CG-CE1 4.04Å; L555-F577 HydrophobicContact CD2-CD1 3.95Å; L555-F577 HydrophobicContact CD2-CE1 3.58Å; L572-F577 HydrophobicContact CB-CZ 4.27Å; L572-F577 HydrophobicContact CD1-CD1 4.31Å; L572-F577 HydrophobicContact CD1-CE1 3.96Å; L572-F577 HydrophobicContact CD1-CE2 4.28Å; L572-F577 HydrophobicContact CD1-CZ 3.95Å; G575-F577 VanDerWaalsContact C-CE2 3.44Å; G575-F577 VanDerWaalsContact O-CE2 3.28Å; G575-F577 WeakPolarHBondContact O-CE2 3.34Å
578	I	97.2	Very high	95.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.4	169	-66.8	178.7	0	0	0	109	Q491 Y492 L493 I533 F534 V536 Q540 L544 I580 L607	Q491-I578 HydrophobicContact CB-CG2 3.97Å; Y492-I578 CarbonylContact O-C 3.5Å; Y492-I578 WeakPolarHBondContact O-CA 3.24Å; L493-I578 HydrophobicContact CD1-CD1 4.38Å; L493-I578 HydrophobicContact CD1-CG1 3.86Å; I533-I578 CarbonylContact C-O 3.57Å; I533-I578 VanDerWaalsContact CA-O 3.29Å; I533-I578 WeakPolarHBondContact CA-O 3.49Å; F534-I578 PolarHBondContact N-O 3.16Å; F534-I578 PolarHBondContact O-N 2.65Å; V536-I578 HydrophobicContact CG1-CD1 3.81Å; V536-I578 HydrophobicContact CG1-CG1 3.98Å; V536-I578 HydrophobicContact CG2-CD1 4.29Å; V536-I578 HydrophobicContact CG2-CG1 4Å; Q540-I578 HydrophobicContact CG-CD1 3.97Å; L544-I578 HydrophobicContact CD1-CD1 3.82Å; L544-I578 HydrophobicContact CD2-CD1 3.96Å; L544-I578 HydrophobicContact CG-CD1 3.62Å; I578-I580 HydrophobicContact CG2-CD1 4.31Å; I578-I580 HydrophobicContact CG2-CG1 3.83Å; I578-L607 HydrophobicContact CD1-CD1 3.39Å; I578-L607 HydrophobicContact CG1-CD1 3.83Å; I578-L607 HydrophobicContact CG2-CD1 4.36Å
579	L	97.7	Very high	95.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.3	170.4	174.2	63.3	0	0	0	109.8	Y492 F494 V511 F531 I533 C594 V596	Y492-L579 PolarHBondContact N-O 2.97Å; Y492-L579 PolarHBondContact O-N 3.49Å; F494-L579 HydrophobicContact CD1-CB 4.33Å; F494-L579 HydrophobicContact CE1-CB 4.02Å; V511-L579 HydrophobicContact CG1-CD1 3.92Å; V511-L579 HydrophobicContact CG1-CD2 3.99Å; F531-L579 HydrophobicContact CB-CD1 3.74Å; F531-L579 HydrophobicContact CD2-CD1 3.54Å; F531-L579 HydrophobicContact CE2-CD1 4.39Å; F531-L579 HydrophobicContact CG-CD1 3.86Å; I533-L579 HydrophobicContact CD1-CD1 4.43Å; I533-L579 HydrophobicContact CG1-CD1 3.82Å; L579-C594 HydrophobicContact CD2-CB 3.99Å; L579-V596 HydrophobicContact CD2-CG2 4.35Å
580	I	98	Very high	95.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	102.9	175.8	-53.3	-172.2	0	0	0	108.3	F486 N489 Q491 F531 S532 F534 L549 I578	F486-I580 HydrophobicContact CE1-CD1 4.07Å; F486-I580 HydrophobicContact CE1-CG2 4.3Å; F486-I580 HydrophobicContact CE2-CG2 4.19Å; F486-I580 HydrophobicContact CZ-CB 4.18Å; F486-I580 HydrophobicContact CZ-CD1 4.41Å; F486-I580 HydrophobicContact CZ-CG2 3.8Å; N489-I580 HydrophobicContact CB-CG2 3.57Å; Q491-I580 HydrophobicContact CG-CD1 4.03Å; Q491-I580 HydrophobicContact CG-CG1 4.07Å; F531-I580 CarbonylContact C-O 3.56Å; F531-I580 VanDerWaalsContact CA-O 3.23Å; F531-I580 WeakPolarHBondContact CA-O 3.48Å; F531-I580 WeakPolarHBondContact CB-O 3.25Å; S532-I580 PolarHBondContact N-O 2.8Å; S532-I580 PolarHBondContact O-N 3.37Å; F534-I580 HydrophobicContact CD2-CD1 4.16Å; F534-I580 HydrophobicContact CD2-CG1 4.42Å; F534-I580 HydrophobicContact CE2-CD1 3.88Å; F534-I580 HydrophobicContact CE2-CG1 4.34Å; L549-I580 HydrophobicContact CD1-CD1 4.19Å; L549-I580 HydrophobicContact CD2-CD1 3.82Å; I578-I580 HydrophobicContact CG2-CD1 4.31Å; I578-I580 HydrophobicContact CG2-CG1 3.83Å
581	P	98.1	Very high	95.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	141.3	172.5	36.9	-37.7	0	0	0	111.2	W470 P490 Y492 V513 Y592 C594	W470-P581 HydrophobicContact CZ2-CB 3.93Å; W470-P581 PolarHBondContact NE1-O 3.42Å; P490-P581 WeakPolarHBondContact O-CD 3.16Å; Y492-P581 HydrophobicContact CD2-CG 4.18Å; Y492-P581 HydrophobicContact CE2-CG 3.77Å; V513-P581 HydrophobicContact CG1-CB 4.08Å; V513-P581 HydrophobicContact CG2-CB 4.01Å; P581-Y592 HydrophobicContact CB-CE2 4.36Å; P581-Y592 HydrophobicContact CG-CE2 3.77Å; P581-C594 VanDerWaalsContact CB-SG 3.5Å; P581-C594 VanDerWaalsContact CG-SG 3.51Å
582	S	98	Very high	95.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	149.6	-178.3	42.7	0	0	0	0	112.6	G478 G530 Y560	G478-S582 VanDerWaalsContact O-CB 3.23Å; G478-S582 WeakPolarHBondContact O-CB 3.44Å; G530-S582 PolarHBondContact N-O 3.25Å; G530-S582 PolarHBondContact O-N 3.26Å; G530-S582 VanDerWaalsContact O-O 3.05Å; Y560-S582 WeakPolarHBondContact CE1-O 3.4Å; Y560-S582 PolarHBondContact OH-OG 3.05Å
583	T	97.7	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	155.9	159	52.6	0	0	0	0	109.6	W470 G478 S479 L527 I529 N585 Q588	W470-T583 HydrophobicContact CD2-CG2 3.89Å; W470-T583 HydrophobicContact CE3-CG2 3.74Å; W470-T583 HydrophobicContact CG-CG2 4.35Å; W470-T583 HydrophobicContact CZ3-CG2 4.11Å; G478-T583 CarbonylContact C-O 3.54Å; G478-T583 VanDerWaalsContact CA-O 3.27Å; G478-T583 WeakPolarHBondContact CA-O 3.13Å; S479-T583 PolarHBondContact N-O 2.9Å; S479-T583 VanDerWaalsContact N-O 3.07Å; L527-T583 HydrophobicContact CD1-CG2 3.82Å; I529-T583 HydrophobicContact CG2-CG2 4.22Å; T583-N585 WeakPolarHBondContact CB-O 3.38Å; T583-N585 PolarHBondContact OG1-O 3.49Å; T583-Q588 HydrophobicContact CG2-CB 3.93Å
584	Y	97.7	Very high	95.9	Very high	97 Å²	97	29.4 Å²	29.4	38%	0.38	14%	0.144	S	C	.	.	S	Bend	trans	-63.1	-55.6	175.8	-178.3	-98.3	0	0	0	110.3	S479 D481 Y482 A528 Y560	S479-Y584 WeakPolarHBondContact CB-O 3.23Å; S479-Y584 PolarHBondContact N-O 3.29Å; S479-Y584 PolarHBondContact OG-O 2.93Å; D481-Y584 WeakPolarHBondContact OD2-CE2 3.44Å; D481-Y584 PolarHBondContact OD2-OH 3.4Å; Y482-Y584 VanDerWaalsContact CE2-O 3.22Å; Y482-Y584 WeakPolarHBondContact CE2-O 3.18Å; A528-Y584 PolarHBondContact O-N 2.94Å; Y560-Y584 VanDerWaalsContact CD1-CA 3.49Å; Y560-Y584 AromaticContact CD1-CD2 3.98Å; Y560-Y584 HydrophobicContact CD1-CD2 3.98Å; Y560-Y584 HydrophobicContact CD1-CG 4.34Å; Y560-Y584 HydrophobicContact CD2-CD2 4.26Å; Y560-Y584 AromaticContact CG-CD2 3.74Å; Y560-Y584 HydrophobicContact CG-CD2 3.74Å; Y560-Y584 HydrophobicContact CG-CG 4.46Å
585	N	97.7	Very high	96	Very high	62 Å²	62	27.6 Å²	27.6	33%	0.332	13%	0.132	S	C	.	.	S	Bend	trans	-84.1	142.6	176.2	-54	-62.8	0	0	0	110.5	Y482 T583 Q588	Y482-N585 PolarHBondContact OH-OD1 2.71Å; T583-N585 WeakPolarHBondContact CB-O 3.38Å; T583-N585 PolarHBondContact OG1-O 3.49Å; N585-Q588 HydrophobicContact CB-CG 4.02Å
586	S	96.4	Very high	96.1	Very high	26 Å²	26	27 Å²	27	18%	0.182	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	153.3	170.9	-173.3	0	0	0	0	111.6	A476 G477 S485 Q588	A476-S586 PolarHBondContact O-OG 3.38Å; G477-S586 PolarHBondContact O-OG 2.77Å; S485-S586 PolarHBondContact OG-OG 2.91Å; S586-Q588 VanDerWaalsContact C-N 3.28Å; S586-Q588 PolarHBondContact O-N 2.95Å
587	N	95.8	Very high	96	Very high	55 Å²	55	26.8 Å²	26.8	29%	0.294	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	22.9	179.8	-78.4	-26.8	0	0	0	116.4	A472 N473 A476 W725	A472-N587 HydrophobicContact CB-CB 4.4Å; N473-N587 PolarHBondContact N-OD1 3.36Å; N473-N587 PolarHBondContact OD1-ND2 3.31Å; A476-N587 PolarHBondContact O-N 2.9Å; N587-W725 PolarHBondContact ND2-NE1 2.91Å; N587-W725 WeakPolarHBondContact OD1-CZ2 3.48Å
588	Q	94.8	Very high	95.8	Very high	53 Å²	53	26.7 Å²	26.7	25%	0.248	12%	0.124	C	C	.	.			trans	-89.2	135.8	169	-64.3	-169.9	-64.8	0	0	111.1	W470 L527 T583 N585 S586	W470-Q588 WeakPolarHBondContact CB-O 3.23Å; L527-Q588 HydrophobicContact CD1-CB 4.04Å; T583-Q588 HydrophobicContact CG2-CB 3.93Å; N585-Q588 HydrophobicContact CB-CG 4.02Å; S586-Q588 VanDerWaalsContact C-N 3.28Å; S586-Q588 PolarHBondContact O-N 2.95Å
589	E	93.2	Very high	95.2	Very high	105 Å²	105	30.3 Å²	30.3	49%	0.491	15%	0.147	S	C	.	.			trans	-102	130.9	-175.2	-57.3	-171.5	126.8	0	0	111.9	W470 A472	W470-E589 VanDerWaalsContact O-CA 3.25Å; W470-E589 WeakPolarHBondContact O-CA 3.44Å; A472-E589 HydrophobicContact CB-CG 3.77Å; A472-E589 WeakPolarHBondContact CB-OE1 3.43Å; A472-E589 PolarHBondContact N-OE1 2.85Å
590	A	92.4	Very high	94.8	Very high	15 Å²	15	31.1 Å²	31.1	12%	0.124	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	147.6	167.7	0	0	0	0	0	110.3	E469 W470 L527	E469-A590 WeakPolarHBondContact CA-O 3.44Å; W470-A590 HydrophobicContact CE3-CB 3.94Å; W470-A590 HydrophobicContact CZ3-CB 4.22Å; W470-A590 PolarHBondContact N-O 2.89Å; W470-A590 PolarHBondContact O-N 2.74Å; L527-A590 HydrophobicContact CD1-CB 3.79Å
591	R	93.9	Very high	94.4	Very high	138 Å²	138	38.2 Å²	38.2	52%	0.521	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	148.1	165	-64.2	177.4	71.7	-142.9	-8.8	109.2	E469 E516	E469-R591 HydrophobicContact CB-CG 4.02Å; E516-R591 HydrophobicContact CB-CB 3.85Å; E516-R591 VanDerWaalsContact CD-NH1 3.32Å; E516-R591 PolarHBondContact N-O 3.3Å; E516-R591 IonicContact OE1-CZ 2.71Å; E516-R591 IonicContact OE1-NH1 2.61Å; E516-R591 PolarHBondContact OE1-NH1 2.87Å; E516-R591 IonicContact OE1-NH2 3.14Å; E516-R591 WeakPolarHBondContact OE2-CB 3.35Å; E516-R591 WeakPolarHBondContact OE2-CD 3.07Å; E516-R591 IonicContact OE2-CZ 2.86Å; E516-R591 IonicContact OE2-NE 2.71Å; E516-R591 PolarHBondContact OE2-NE 2.79Å; E516-R591 IonicContact OE2-NH1 3.12Å; E516-R591 PolarHBondContact OE2-NH1 3.26Å; E516-R591 IonicContact OE2-NH2 3.55Å; E516-R591 PolarHBondContact OE2-NH2 3.11Å
592	Y	94.9	Very high	94.1	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.016	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	165.5	-176.7	66.8	-96.6	0	0	0	112.3	G468 W470 P490 Y492 V513 M514 P581 C594	G468-Y592 VanDerWaalsContact C-CE1 3.5Å; G468-Y592 PolarHBondContact N-O 3.09Å; G468-Y592 PolarHBondContact O-N 3.38Å; G468-Y592 VanDerWaalsContact O-O 3.08Å; W470-Y592 AromaticContact CD2-CD1 3.54Å; W470-Y592 HydrophobicContact CD2-CD1 3.54Å; W470-Y592 AromaticContact CD2-CE1 3.63Å; W470-Y592 HydrophobicContact CD2-CE1 3.63Å; W470-Y592 AromaticContact CE2-CD1 3.67Å; W470-Y592 AromaticContact CE2-CE1 3.54Å; W470-Y592 AromaticContact CE3-CD1 3.44Å; W470-Y592 HydrophobicContact CE3-CD1 3.44Å; W470-Y592 VanDerWaalsContact CE3-CD1 3.44Å; W470-Y592 HydrophobicContact CE3-CE1 4.05Å; W470-Y592 HydrophobicContact CE3-CG 4.31Å; W470-Y592 HydrophobicContact CG-CD1 4.32Å; W470-Y592 HydrophobicContact CG-CE1 4.04Å; W470-Y592 AromaticContact CH2-CD1 3.67Å; W470-Y592 HydrophobicContact CH2-CD1 3.67Å; W470-Y592 HydrophobicContact CH2-CE1 4.33Å; W470-Y592 AromaticContact CH2-CG 3.86Å; W470-Y592 HydrophobicContact CH2-CG 3.86Å; W470-Y592 AromaticContact CZ2-CD1 3.76Å; W470-Y592 HydrophobicContact CZ2-CD1 3.76Å; W470-Y592 AromaticContact CZ2-CE1 3.94Å; W470-Y592 HydrophobicContact CZ2-CE1 3.94Å; W470-Y592 HydrophobicContact CZ2-CG 4.19Å; W470-Y592 AromaticContact CZ3-CD1 3.51Å; W470-Y592 HydrophobicContact CZ3-CD1 3.51Å; W470-Y592 HydrophobicContact CZ3-CE1 4.37Å; W470-Y592 AromaticContact CZ3-CG 3.92Å; W470-Y592 HydrophobicContact CZ3-CG 3.92Å; W470-Y592 AromaticContact NE1-CE1 3.82Å; P490-Y592 WeakPolarHBondContact CB-OH 3.23Å; P490-Y592 WeakPolarHBondContact CG-OH 3.36Å; Y492-Y592 HydrophobicContact CE2-CE2 4Å; Y492-Y592 PolarHBondContact OH-OH 3.04Å; V513-Y592 HydrophobicContact CG1-CD2 4.44Å; M514-Y592 CarbonylContact O-C 3.58Å; M514-Y592 WeakPolarHBondContact O-CA 2.97Å; M514-Y592 VanDerWaalsContact O-CB 3.29Å; M514-Y592 WeakPolarHBondContact O-CB 3.49Å; P581-Y592 HydrophobicContact CB-CE2 4.36Å; P581-Y592 HydrophobicContact CG-CE2 3.77Å; Y592-C594 VanDerWaalsContact CD2-SG 3.55Å; Y592-C594 WeakPolarHBondContact CE2-SG 3.41Å
593	I	94.9	Very high	93.8	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.3	164.8	66.3	169	0	0	0	109.5	W242 F244 F466 L467 V513 M514 R595	W242-I593 HydrophobicContact CH2-CD1 3.44Å; W242-I593 VanDerWaalsContact CH2-CD1 3.44Å; W242-I593 HydrophobicContact CZ2-CD1 4.15Å; W242-I593 HydrophobicContact CZ3-CD1 4.33Å; F244-I593 HydrophobicContact CB-CG2 4.24Å; F244-I593 HydrophobicContact CD1-CD1 4.5Å; F244-I593 HydrophobicContact CD1-CG1 4.43Å; F244-I593 HydrophobicContact CD1-CG2 4.42Å; F466-I593 CarbonylContact O-C 3.55Å; F466-I593 WeakPolarHBondContact O-CA 3.12Å; L467-I593 HydrophobicContact CD2-CB 4.29Å; L467-I593 HydrophobicContact CD2-CG2 3.34Å; V513-I593 WeakPolarHBondContact CA-O 3.42Å; M514-I593 HydrophobicContact CB-CD1 4.23Å; M514-I593 HydrophobicContact CB-CG1 3.72Å; M514-I593 PolarHBondContact N-O 3.32Å; M514-I593 PolarHBondContact O-N 3.13Å; M514-I593 HydrophobicContact SD-CD1 4.33Å; I593-R595 HydrophobicContact CD1-CG 4.33Å
594	C	95.5	Very high	93.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.6	171.1	-72.5	0	0	0	0	108.7	C465 F466 Y492 G512 L579 P581 Y592	C465-C594 CarbonylContact C-O 3.47Å; C465-C594 VanDerWaalsContact CA-O 3.27Å; C465-C594 WeakPolarHBondContact CA-O 3.35Å; F466-C594 HydrophobicContact CB-CB 4.26Å; F466-C594 HydrophobicContact CD2-CB 4.29Å; F466-C594 PolarHBondContact N-O 2.77Å; F466-C594 PolarHBondContact O-N 2.79Å; Y492-C594 HydrophobicContact CD2-CB 4.46Å; Y492-C594 HydrophobicContact CE2-CB 4.46Å; G512-C594 CarbonylContact O-C 3.5Å; G512-C594 WeakPolarHBondContact O-CA 3.39Å; L579-C594 HydrophobicContact CD2-CB 3.99Å; P581-C594 VanDerWaalsContact CB-SG 3.5Å; P581-C594 VanDerWaalsContact CG-SG 3.51Å; Y592-C594 VanDerWaalsContact CD2-SG 3.55Å; Y592-C594 WeakPolarHBondContact CE2-SG 3.41Å
595	R	95.2	Very high	93.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.3	-178.5	-60.4	-177.3	-66.3	156.4	1	110.7	G309 G310 I464 C465 V511 G512 E565 I593 F597	G309-R595 PolarHBondContact O-NH1 3.29Å; G310-R595 PolarHBondContact O-NH1 2.78Å; G310-R595 PolarHBondContact O-NH2 3.39Å; G310-R595 VanDerWaalsContact O-NH2 3.16Å; I464-R595 CarbonylContact O-C 3.25Å; I464-R595 VanDerWaalsContact O-CA 3.23Å; I464-R595 WeakPolarHBondContact O-CA 3.41Å; C465-R595 HydrophobicContact CB-CG 3.91Å; V511-R595 CarbonylContact C-O 3.48Å; V511-R595 WeakPolarHBondContact CA-O 3.15Å; G512-R595 PolarHBondContact N-O 2.58Å; G512-R595 PolarHBondContact O-N 2.74Å; E565-R595 VanDerWaalsContact CD-NH2 3.32Å; E565-R595 IonicContact OE1-CZ 3.99Å; E565-R595 IonicContact OE1-NE 2.62Å; E565-R595 IonicContact OE1-NH2 3.68Å; E565-R595 PolarHBondContact OE1-NH2 3.29Å; E565-R595 IonicContact OE2-NH2 2.74Å; E565-R595 PolarHBondContact OE2-NH2 3.42Å; I593-R595 HydrophobicContact CD1-CG 4.33Å; R595-F597 HydrophobicContact CB-CD2 4.42Å; R595-F597 HydrophobicContact CB-CE2 4.18Å
596	V	96.1	Very high	93	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.4	169.5	-174.9	0	0	0	0	108	E463 I464 F494 I509 I510 V511 L579 M602	E463-V596 WeakPolarHBondContact CA-O 3.5Å; I464-V596 HydrophobicContact CD1-CB 3.8Å; I464-V596 HydrophobicContact CD1-CG2 3.94Å; I464-V596 HydrophobicContact CG1-CB 3.53Å; I464-V596 HydrophobicContact CG1-CG2 4.05Å; I464-V596 PolarHBondContact N-O 3.38Å; I464-V596 PolarHBondContact O-N 3.14Å; F494-V596 HydrophobicContact CE1-CG2 4.49Å; F494-V596 HydrophobicContact CE2-CG1 4.25Å; F494-V596 HydrophobicContact CZ-CG2 4.49Å; I509-V596 HydrophobicContact CB-CG1 4.35Å; I510-V596 CarbonylContact O-C 3.5Å; I510-V596 WeakPolarHBondContact O-CA 3.36Å; V511-V596 HydrophobicContact CG1-CG2 4.16Å; V511-V596 HydrophobicContact CG2-CB 4.48Å; V511-V596 HydrophobicContact CG2-CG1 4.01Å; V511-V596 HydrophobicContact CG2-CG2 4.03Å; L579-V596 HydrophobicContact CD2-CG2 4.35Å; V596-M602 HydrophobicContact CB-SD 4.31Å; V596-M602 HydrophobicContact CG1-CE 4.39Å; V596-M602 HydrophobicContact CG1-SD 3.77Å; V596-M602 VanDerWaalsContact O-CE 3.26Å; V596-M602 WeakPolarHBondContact O-CE 3.29Å
597	F	94.4	Very high	92.8	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	141.4	174.2	-80.2	-131.4	0	0	0	108.5	I311 H443 G445 C461 E462 E463 I509 I510 R595	I311-F597 HydrophobicContact CB-CD1 4.4Å; I311-F597 HydrophobicContact CB-CD2 4.06Å; I311-F597 HydrophobicContact CB-CE1 4.24Å; I311-F597 HydrophobicContact CB-CE2 3.92Å; I311-F597 HydrophobicContact CB-CG 4.33Å; I311-F597 HydrophobicContact CB-CZ 4.03Å; I311-F597 HydrophobicContact CD1-CD2 4.23Å; I311-F597 HydrophobicContact CG2-CB 4.06Å; I311-F597 HydrophobicContact CG2-CD1 3.44Å; I311-F597 VanDerWaalsContact CG2-CD1 3.44Å; I311-F597 HydrophobicContact CG2-CD2 3.7Å; I311-F597 HydrophobicContact CG2-CE1 3.68Å; I311-F597 HydrophobicContact CG2-CE2 3.95Å; I311-F597 HydrophobicContact CG2-CG 3.47Å; I311-F597 VanDerWaalsContact CG2-CG 3.47Å; I311-F597 HydrophobicContact CG2-CZ 3.95Å; H443-F597 WeakPolarHBondContact O-CE1 3.35Å; G445-F597 VanDerWaalsContact CA-CE1 3.44Å; C461-F597 HydrophobicContact CB-CB 4.18Å; C461-F597 HydrophobicContact CB-CD1 3.62Å; C461-F597 HydrophobicContact CB-CE1 4.48Å; C461-F597 HydrophobicContact CB-CG 4.29Å; E462-F597 CarbonylContact O-C 3.53Å; E462-F597 VanDerWaalsContact O-CA 3.23Å; E462-F597 WeakPolarHBondContact O-CA 3.29Å; E463-F597 HydrophobicContact CB-CD2 4.28Å; E463-F597 HydrophobicContact CB-CE2 4.06Å; E463-F597 HydrophobicContact CB-CZ 4.25Å; E463-F597 HydrophobicContact CG-CD2 4.08Å; E463-F597 HydrophobicContact CG-CE2 3.55Å; E463-F597 HydrophobicContact CG-CZ 3.95Å; I509-F597 CarbonylContact C-O 3.57Å; I509-F597 WeakPolarHBondContact CA-O 3.15Å; I509-F597 WeakPolarHBondContact CB-O 3.42Å; I510-F597 HydrophobicContact CB-CB 4.21Å; I510-F597 PolarHBondContact N-O 3.2Å; I510-F597 PolarHBondContact O-N 2.96Å; R595-F597 HydrophobicContact CB-CD2 4.42Å; R595-F597 HydrophobicContact CB-CE2 4.18Å
598	S	92.1	Very high	92.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159.3	176.9	-170.1	0	0	0	0	112.2	C461 E462 H508 V600 M602	C461-S598 WeakPolarHBondContact CA-O 3.26Å; E462-S598 WeakPolarHBondContact CB-O 3.05Å; E462-S598 PolarHBondContact N-O 3.27Å; E462-S598 PolarHBondContact O-N 3.46Å; H508-S598 WeakPolarHBondContact O-CA 3.08Å; H508-S598 PolarHBondContact O-OG 3.03Å; S598-V600 VanDerWaalsContact C-N 3.28Å; S598-V600 WeakPolarHBondContact CB-O 3.24Å; S598-V600 PolarHBondContact OG-N 2.99Å; S598-M602 VanDerWaalsContact CB-CE 3.45Å; S598-M602 WeakPolarHBondContact CB-SD 3.34Å
599	T	85.7	Confident	92.1	Very high	77 Å²	77	48.8 Å²	48.8	47%	0.472	23%	0.231	S	C	.	.	S	Bend	trans	-77.5	-14.9	169.4	51.4	0	0	0	0	113	H508	H508-T599 HydrophobicContact CB-CG2 4.42Å; H508-T599 PolarHBondContact O-N 2.62Å
600	V	88.4	Confident	91.9	Very high	17 Å²	17	49.5 Å²	49.5	10%	0.103	23%	0.234	C	C	.	.	S	Bend	trans	-122.9	159	-178.3	-55.9	0	0	0	0	111.7	E462 I496 D499 A507 S598	E462-V600 WeakPolarHBondContact CB-O 3.35Å; E462-V600 WeakPolarHBondContact CG-O 3.45Å; I496-V600 HydrophobicContact CG2-CG2 3.48Å; I496-V600 VanDerWaalsContact CG2-CG2 3.48Å; D499-V600 HydrophobicContact CB-CG1 4.19Å; A507-V600 HydrophobicContact CB-CG1 4.16Å; A507-V600 HydrophobicContact CB-CG2 3.58Å; S598-V600 VanDerWaalsContact C-N 3.28Å; S598-V600 WeakPolarHBondContact CB-O 3.24Å; S598-V600 PolarHBondContact OG-N 2.99Å
601	K	88.6	Confident	92	Very high	149 Å²	149	52.6 Å²	52.6	65%	0.648	25%	0.249	S	C	*	.			trans	-62.8	142.5	-179.1	-69.5	-169.2	174.7	-171.9	0	111.1	G497	G497-K601 PolarHBondContact N-O 2.89Å; G497-K601 VanDerWaalsContact N-O 3.1Å
602	M	92.6	Very high	91.9	Very high	28 Å²	28	47.7 Å²	47.7	14%	0.138	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	156	178.2	-66.4	174.8	-69.3	0	0	111.3	E462 I464 T495 I496 V596 S598	E462-M602 HydrophobicContact CB-CE 4.17Å; I464-M602 HydrophobicContact CD1-SD 4.35Å; I464-M602 HydrophobicContact CG1-CE 4.13Å; I464-M602 HydrophobicContact CG1-SD 4.32Å; I464-M602 HydrophobicContact CG2-CB 3.86Å; I464-M602 HydrophobicContact CG2-CE 4.31Å; T495-M602 CarbonylContact O-C 3.45Å; T495-M602 WeakPolarHBondContact O-CA 3.43Å; I496-M602 HydrophobicContact CG1-CG 4.44Å; V596-M602 HydrophobicContact CB-SD 4.31Å; V596-M602 HydrophobicContact CG1-CE 4.39Å; V596-M602 HydrophobicContact CG1-SD 3.77Å; V596-M602 VanDerWaalsContact O-CE 3.26Å; V596-M602 WeakPolarHBondContact O-CE 3.29Å; S598-M602 VanDerWaalsContact CB-CE 3.45Å; S598-M602 WeakPolarHBondContact CB-SD 3.34Å
603	K	92.6	Very high	91.8	Very high	158 Å²	158	50.2 Å²	50.2	69%	0.687	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.8	165.4	-62.8	-179.8	-178	175.9	0	109	F494 T495	F494-K603 CarbonylContact C-O 3.58Å; F494-K603 WeakPolarHBondContact CA-O 3.47Å; F494-K603 WeakPolarHBondContact CB-O 3.29Å; T495-K603 PolarHBondContact N-O 2.77Å; T495-K603 PolarHBondContact O-N 2.84Å
604	Q	92.2	Very high	91.5	Very high	70 Å²	70	54.7 Å²	54.7	33%	0.327	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.8	179.5	60.8	172.8	75	0	0	111.8	I464 C465 F466	I464-Q604 VanDerWaalsContact CA-OE1 3.25Å; I464-Q604 HydrophobicContact CB-CB 4.11Å; I464-Q604 HydrophobicContact CB-CG 4.42Å; I464-Q604 HydrophobicContact CD1-CB 4.28Å; I464-Q604 HydrophobicContact CG2-CB 4.01Å; I464-Q604 HydrophobicContact CG2-CG 4.19Å; C465-Q604 VanDerWaalsContact N-OE1 3.13Å; C465-Q604 PolarHBondContact O-NE2 3.41Å; C465-Q604 VanDerWaalsContact O-NE2 3.12Å; F466-Q604 HydrophobicContact CE1-CB 3.78Å; F466-Q604 HydrophobicContact CE1-CG 4.5Å; F466-Q604 HydrophobicContact CE2-CB 4.42Å; F466-Q604 HydrophobicContact CZ-CB 3.49Å; F466-Q604 VanDerWaalsContact CZ-CB 3.49Å
605	L	91.5	Very high	91.2	Very high	90 Å²	90	55 Å²	55	47%	0.471	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	130.4	173.5	177.1	66.2	0	0	0	109.5	L493	L493-L605 WeakPolarHBondContact CA-O 3.47Å; L493-L605 HydrophobicContact CB-CB 4.32Å; L493-L605 HydrophobicContact CD2-CB 4.28Å; L493-L605 HydrophobicContact CD2-CD2 4.3Å; L493-L605 PolarHBondContact N-O 2.83Å; L493-L605 PolarHBondContact O-N 2.95Å; L493-L605 VanDerWaalsContact O-O 3.11Å
606	E	91.6	Very high	90.9	Very high	88 Å²	88	55.9 Å²	55.9	41%	0.411	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.4	166	-178.2	-178.2	161.5	0	0	109.1	Y492 D608 N741	Y492-E606 HydrophobicContact CD1-CB 4.04Å; Y492-E606 HydrophobicContact CD1-CG 3.92Å; Y492-E606 HydrophobicContact CE1-CB 4.21Å; Y492-E606 HydrophobicContact CE1-CG 3.75Å; E606-D608 PolarHBondContact O-N 3.08Å; E606-N741 PolarHBondContact OE1-ND2 3.01Å
607	L	91.8	Very high	90.5	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	29%	0.289	C	S	.	.			trans	-77.9	107.9	177.4	-64.9	175.2	0	0	0	109.7	Q491 L493 R543 I578	Q491-L607 HydrophobicContact CB-CB 4.26Å; Q491-L607 HydrophobicContact CB-CD1 4.04Å; Q491-L607 WeakPolarHBondContact O-CB 3.41Å; Q491-L607 PolarHBondContact O-N 3.3Å; L493-L607 HydrophobicContact CB-CD1 4.32Å; L493-L607 HydrophobicContact CB-CD2 3.93Å; L493-L607 HydrophobicContact CB-CG 3.98Å; L493-L607 HydrophobicContact CD1-CD2 4.35Å; R543-L607 HydrophobicContact CG-CB 3.94Å; I578-L607 HydrophobicContact CD1-CD1 3.39Å; I578-L607 HydrophobicContact CG1-CD1 3.83Å; I578-L607 HydrophobicContact CG2-CD1 4.36Å
608	D	90.4	Very high	90.1	Very high	58 Å²	58	65.6 Å²	65.6	31%	0.31	32%	0.321	S	S	.	.			trans	-129.2	167.8	177.9	-158.7	4.6	0	0	0	110.8	E606 S740 N741	E606-D608 PolarHBondContact O-N 3.08Å; D608-S740 VanDerWaalsContact OD1-CA 3.28Å; D608-S740 WeakPolarHBondContact OD1-CA 3.26Å; D608-S740 WeakPolarHBondContact OD2-CB 3.29Å; D608-N741 PolarHBondContact OD1-N 3.07Å; D608-N741 PolarHBondContact OD1-ND2 2.85Å; D608-N741 PolarHBondContact OD1-OD1 2.69Å; D608-N741 PolarHBondContact OD2-N 3.33Å
609	E	87	Confident	89.9	Confident	21 Å²	21	69.2 Å²	69.2	10%	0.098	35%	0.346	C	S	.	.			trans	-107.6	140.8	176.9	-67	178	-154	0	0	110.7	K733 S740	E609-K733 WeakPolarHBondContact OE1-CE 3.22Å; E609-K733 IonicContact OE1-NZ 3.84Å; E609-K733 PolarHBondContact OE1-NZ 2.64Å; E609-K733 WeakPolarHBondContact OE2-CE 3.08Å; E609-K733 IonicContact OE2-NZ 2.89Å; E609-S740 WeakPolarHBondContact O-CA 3.5Å; E609-S740 WeakPolarHBondContact O-CB 3.49Å; E609-S740 PolarHBondContact O-N 3.45Å
610	E	89.3	Confident	89.9	Confident	121 Å²	121	65.6 Å²	65.6	57%	0.565	32%	0.324	S	S	*	.			trans	-71.3	145.5	169.2	-66.6	-167.5	166.1	0	0	110.3	S612 K738	E610-S612 PolarHBondContact O-N 2.96Å; E610-S612 VanDerWaalsContact O-N 3.16Å; E610-K738 CarbonylContact O-C 3.42Å
611	N	93.3	Very high	89.7	Confident	79 Å²	79	65.4 Å²	65.4	42%	0.422	32%	0.322	S	S	.	.			trans	-74.1	107.6	176.1	-58	-61.2	0	0	0	109.1	K738 V739 S740 F775	N611-K738 CarbonylContact C-O 3.51Å; N611-K738 VanDerWaalsContact CA-O 3.29Å; N611-K738 WeakPolarHBondContact CA-O 3.44Å; N611-V739 WeakPolarHBondContact OD1-CA 3.45Å; N611-S740 PolarHBondContact ND2-OG 2.93Å; N611-S740 PolarHBondContact OD1-N 2.99Å; N611-S740 PolarHBondContact OD1-OG 2.92Å; N611-F775 HydrophobicContact CB-CE1 4.39Å; N611-F775 HydrophobicContact CB-CZ 4.13Å
612	S	92.9	Very high	89.5	Confident	35 Å²	35	62.2 Å²	62.2	25%	0.245	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153.9	178.1	69.5	0	0	0	0	111.7	E610 K738 F775	E610-S612 PolarHBondContact O-N 2.96Å; E610-S612 VanDerWaalsContact O-N 3.16Å; S612-K738 PolarHBondContact N-O 2.83Å; S612-K738 PolarHBondContact O-N 2.9Å; S612-F775 VanDerWaalsContact C-CE1 3.47Å
613	Y	92.2	Very high	89.1	Confident	58 Å²	58	62.8 Å²	62.8	23%	0.227	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.9	167	175.9	-119.2	0	0	0	108.4	Y102 G736 Y737	Y102-Y613 AromaticContact CE1-CE1 3.73Å; Y102-Y613 HydrophobicContact CE1-CE1 3.73Å; Y613-G736 CarbonylContact C-O 3.55Å; Y613-G736 WeakPolarHBondContact CA-O 3.22Å; Y613-G736 WeakPolarHBondContact CD2-O 3.48Å; Y613-Y737 AromaticContact CD2-CD1 3.61Å; Y613-Y737 HydrophobicContact CD2-CD1 3.61Å; Y613-Y737 HydrophobicContact CD2-CD2 4.31Å; Y613-Y737 AromaticContact CD2-CE1 3.34Å; Y613-Y737 HydrophobicContact CD2-CE1 3.34Å; Y613-Y737 HydrophobicContact CD2-CE2 4.08Å; Y613-Y737 HydrophobicContact CD2-CG 4.09Å; Y613-Y737 AromaticContact CD2-CZ 3.6Å; Y613-Y737 HydrophobicContact CE2-CD1 4.46Å; Y613-Y737 HydrophobicContact CE2-CD2 4.5Å; Y613-Y737 AromaticContact CE2-CE1 3.97Å; Y613-Y737 HydrophobicContact CE2-CE1 3.97Å; Y613-Y737 AromaticContact CE2-CE2 4Å; Y613-Y737 HydrophobicContact CE2-CE2 4Å; Y613-Y737 AromaticContact CE2-CZ 3.71Å; Y613-Y737 HydrophobicContact CG-CD1 4.23Å; Y613-Y737 AromaticContact CG-CE1 3.88Å; Y613-Y737 HydrophobicContact CG-CE1 3.88Å
614	E	88.8	Confident	88.7	Confident	96 Å²	96	55.4 Å²	55.4	45%	0.449	29%	0.289	S	S	.	.			trans	-107.1	2.5	-174.2	-62.4	-177	172	0	0	112.7	G736 K738	E614-G736 PolarHBondContact N-O 2.9Å; E614-K738 WeakPolarHBondContact OE1-CD 3.43Å; E614-K738 WeakPolarHBondContact OE1-CE 3.44Å; E614-K738 IonicContact OE1-NZ 3.67Å; E614-K738 PolarHBondContact OE1-NZ 2.96Å; E614-K738 WeakPolarHBondContact OE2-CE 3.48Å; E614-K738 IonicContact OE2-NZ 3.99Å; E614-K738 PolarHBondContact OE2-NZ 2.89Å
615	G	88	Confident	88.1	Confident	8 Å²	8	53.9 Å²	53.9	8%	0.082	28%	0.282	C	S	.	.			trans	76.1	171	-173.9	0	0	0	0	0	113	G736	G615-G736 WeakPolarHBondContact O-CA 3.23Å
616	F	89.3	Confident	87.5	Confident	18 Å²	18	52.3 Å²	52.3	8%	0.079	28%	0.279	C	S	.	.	S	Bend	trans	-67.8	147.6	177.4	-66.5	-72.4	0	0	0	111.5	T620 M621 L624 W709	F616-T620 HydrophobicContact CB-CG2 4.16Å; F616-T620 HydrophobicContact CD1-CG2 4.09Å; F616-T620 HydrophobicContact CG-CG2 4.24Å; F616-M621 HydrophobicContact CB-CG 3.91Å; F616-M621 HydrophobicContact CB-SD 3.79Å; F616-M621 HydrophobicContact CD2-SD 4.01Å; F616-M621 HydrophobicContact CG-SD 4.38Å; F616-L624 HydrophobicContact CD2-CD1 4.12Å; F616-L624 HydrophobicContact CE2-CD1 4.39Å; F616-W709 AromaticContact CE1-CD1 3.67Å; F616-W709 AromaticContact CZ-CD1 3.48Å; F616-W709 VanDerWaalsContact CZ-CD1 3.48Å; F616-W709 HydrophobicContact CZ-CG 4.35Å; F616-W709 AromaticContact CZ-NE1 3.6Å
617	P	88.3	Confident	87	Confident	48 Å²	48	49.7 Å²	49.7	31%	0.312	27%	0.267	S	S	.	.			trans	-55.1	148.2	170.9	-24.3	32.8	0	0	0	111.7	S619 T620 M621 S734	P617-S619 PolarHBondContact O-N 3.46Å; P617-S619 VanDerWaalsContact O-N 3.12Å; P617-T620 WeakPolarHBondContact O-CA 3.39Å; P617-T620 WeakPolarHBondContact O-CB 3.41Å; P617-T620 PolarHBondContact O-N 3.24Å; P617-M621 PolarHBondContact O-N 2.94Å; P617-S734 WeakPolarHBondContact CD-O 3.46Å
618	K	86.7	Confident	86.4	Confident	157 Å²	157	49.9 Å²	49.9	68%	0.683	27%	0.268	S	S	*	.	H	α-helix	trans	-50.9	-41.3	-178.8	-173.3	175.3	179.1	179.2	0	113.5	T620 M621 D622	K618-T620 VanDerWaalsContact C-N 3.32Å; K618-T620 PolarHBondContact O-N 2.59Å; K618-M621 PolarHBondContact O-N 3.3Å; K618-M621 VanDerWaalsContact O-N 3.17Å; K618-D622 VanDerWaalsContact O-CG 3.24Å; K618-D622 PolarHBondContact O-N 3.06Å
619	S	86.5	Confident	85.8	Confident	76 Å²	76	51.4 Å²	51.4	53%	0.531	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-35.7	178	57.9	0	0	0	0	113.5	P617 A623	P617-S619 PolarHBondContact O-N 3.46Å; P617-S619 VanDerWaalsContact O-N 3.12Å; S619-A623 PolarHBondContact O-N 3.2Å
620	T	86.1	Confident	85.5	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-71.9	-41.3	173.4	-56	0	0	0	0	110.3	F616 P617 K618 A623 L624 K715	F616-T620 HydrophobicContact CB-CG2 4.16Å; F616-T620 HydrophobicContact CD1-CG2 4.09Å; F616-T620 HydrophobicContact CG-CG2 4.24Å; P617-T620 WeakPolarHBondContact O-CA 3.39Å; P617-T620 WeakPolarHBondContact O-CB 3.41Å; P617-T620 PolarHBondContact O-N 3.24Å; K618-T620 VanDerWaalsContact C-N 3.32Å; K618-T620 PolarHBondContact O-N 2.59Å; T620-A623 PolarHBondContact O-N 2.92Å; T620-L624 HydrophobicContact CG2-CD1 4.03Å; T620-L624 HydrophobicContact CG2-CG 4.37Å; T620-L624 VanDerWaalsContact O-CG 3.3Å; T620-L624 WeakPolarHBondContact O-CG 3.31Å; T620-L624 PolarHBondContact O-N 2.85Å; T620-K715 PolarHBondContact OG1-NZ 2.96Å
621	M	85	Confident	85.1	Confident	13 Å²	13	56 Å²	56	6%	0.064	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-44.1	177.9	-71.7	-59.8	-64.3	0	0	112.9	I99 F616 P617 K618 A623 L624 Q625	I99-M621 HydrophobicContact CG2-CE 3.94Å; I99-M621 WeakPolarHBondContact O-CE 3.44Å; F616-M621 HydrophobicContact CB-CG 3.91Å; F616-M621 HydrophobicContact CB-SD 3.79Å; F616-M621 HydrophobicContact CD2-SD 4.01Å; F616-M621 HydrophobicContact CG-SD 4.38Å; P617-M621 PolarHBondContact O-N 2.94Å; K618-M621 PolarHBondContact O-N 3.3Å; K618-M621 VanDerWaalsContact O-N 3.17Å; M621-A623 VanDerWaalsContact C-N 3.32Å; M621-A623 PolarHBondContact O-N 2.98Å; M621-L624 PolarHBondContact O-N 3.46Å; M621-L624 HydrophobicContact SD-CD1 4.25Å; M621-Q625 WeakPolarHBondContact O-CB 3.44Å; M621-Q625 PolarHBondContact O-N 3.45Å
622	D	83.1	Confident	84.5	Confident	81 Å²	81	53.3 Å²	53.3	43%	0.433	28%	0.28	S	S	.	.	H	α-helix	trans	-61.6	-41.2	178.1	-66.6	-22.7	0	0	0	111.1	K618 S626	K618-D622 VanDerWaalsContact O-CG 3.24Å; K618-D622 PolarHBondContact O-N 3.06Å; D622-S626 PolarHBondContact O-N 3.01Å
623	A	84.6	Confident	83.9	Confident	41 Å²	41	55.5 Å²	55.5	34%	0.339	30%	0.3	S	S	.	.	H	α-helix	trans	-65.6	-45.6	175.7	0	0	0	0	0	111.9	S619 T620 M621 Q625 S626 M627 L711	S619-A623 PolarHBondContact O-N 3.2Å; T620-A623 PolarHBondContact O-N 2.92Å; M621-A623 VanDerWaalsContact C-N 3.32Å; M621-A623 PolarHBondContact O-N 2.98Å; A623-Q625 VanDerWaalsContact C-N 3.35Å; A623-Q625 PolarHBondContact O-N 3.3Å; A623-S626 PolarHBondContact O-N 2.92Å; A623-M627 WeakPolarHBondContact O-CG 3.35Å; A623-M627 PolarHBondContact O-N 3.47Å; A623-M627 VanDerWaalsContact O-N 3.08Å; A623-L711 HydrophobicContact CB-CD1 4.25Å
624	L	84	Confident	83.6	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-44.5	177.5	-75	170.4	0	0	0	112.1	F616 T620 M621 S626 M627 M628 K707 G708 L711	F616-L624 HydrophobicContact CD2-CD1 4.12Å; F616-L624 HydrophobicContact CE2-CD1 4.39Å; T620-L624 HydrophobicContact CG2-CD1 4.03Å; T620-L624 HydrophobicContact CG2-CG 4.37Å; T620-L624 VanDerWaalsContact O-CG 3.3Å; T620-L624 WeakPolarHBondContact O-CG 3.31Å; T620-L624 PolarHBondContact O-N 2.85Å; M621-L624 PolarHBondContact O-N 3.46Å; M621-L624 HydrophobicContact SD-CD1 4.25Å; L624-S626 VanDerWaalsContact C-N 3.35Å; L624-S626 PolarHBondContact O-N 3.23Å; L624-M627 PolarHBondContact O-N 2.79Å; L624-M628 WeakPolarHBondContact O-CB 3.27Å; L624-M628 VanDerWaalsContact O-CG 3.27Å; L624-M628 WeakPolarHBondContact O-CG 3.28Å; L624-M628 PolarHBondContact O-N 3.17Å; L624-K707 HydrophobicContact CD2-CB 3.55Å; L624-G708 VanDerWaalsContact CD2-N 3.33Å; L624-L711 HydrophobicContact CD2-CD1 3.65Å; L624-L711 HydrophobicContact CG-CD1 3.93Å
625	Q	78.6	Confident	83.4	Confident	38 Å²	38	51.2 Å²	51.2	18%	0.178	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-46.7	179.6	-172.8	-179.9	14.7	0	0	111.4	Y96 I99 M621 A623 M627 M628 L629	Y96-Q625 VanDerWaalsContact CZ-NE2 3.25Å; Y96-Q625 PolarHBondContact OH-NE2 3.34Å; I99-Q625 HydrophobicContact CG2-CB 4.24Å; I99-Q625 HydrophobicContact CG2-CG 4.25Å; M621-Q625 WeakPolarHBondContact O-CB 3.44Å; M621-Q625 PolarHBondContact O-N 3.45Å; A623-Q625 VanDerWaalsContact C-N 3.35Å; A623-Q625 PolarHBondContact O-N 3.3Å; Q625-M627 VanDerWaalsContact C-N 3.35Å; Q625-M627 PolarHBondContact O-N 3.27Å; Q625-M628 PolarHBondContact O-N 3.32Å; Q625-L629 HydrophobicContact CG-CD1 4.08Å; Q625-L629 WeakPolarHBondContact O-CB 3.08Å; Q625-L629 WeakPolarHBondContact O-CD1 3.37Å; Q625-L629 WeakPolarHBondContact O-CG 3.49Å; Q625-L629 PolarHBondContact O-N 3.04Å
626	S	79.6	Confident	83.2	Confident	57 Å²	57	52.4 Å²	52.4	40%	0.399	29%	0.292	S	S	.	.	H	α-helix	trans	-60.9	-41.3	177.3	179.1	0	0	0	0	112.5	D622 A623 L624 K630	D622-S626 PolarHBondContact O-N 3.01Å; A623-S626 PolarHBondContact O-N 2.92Å; L624-S626 VanDerWaalsContact C-N 3.35Å; L624-S626 PolarHBondContact O-N 3.23Å; S626-K630 WeakPolarHBondContact O-CG 3.04Å
627	M	81	Confident	83.2	Confident	34 Å²	34	56.1 Å²	56.1	17%	0.167	31%	0.312	C	S	.	.	H	α-helix	trans	-68.8	-48.1	177.8	-68.6	172.6	72.2	0	0	111.9	A623 L624 Q625 L629 K630 E631 Y667 K707 L711	A623-M627 WeakPolarHBondContact O-CG 3.35Å; A623-M627 PolarHBondContact O-N 3.47Å; A623-M627 VanDerWaalsContact O-N 3.08Å; L624-M627 PolarHBondContact O-N 2.79Å; Q625-M627 VanDerWaalsContact C-N 3.35Å; Q625-M627 PolarHBondContact O-N 3.27Å; M627-L629 VanDerWaalsContact C-N 3.33Å; M627-L629 PolarHBondContact O-N 3.17Å; M627-K630 PolarHBondContact O-N 3.47Å; M627-E631 PolarHBondContact O-N 3.32Å; M627-Y667 HydrophobicContact CE-CE2 3.94Å; M627-Y667 WeakPolarHBondContact CE-OH 3.45Å; M627-K707 HydrophobicContact CE-CD 4.35Å; M627-L711 HydrophobicContact SD-CD1 3.82Å; M627-L711 HydrophobicContact SD-CD2 4.1Å; M627-L711 HydrophobicContact SD-CG 4.35Å
628	M	79.9	Confident	83.1	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-40	-177.5	-73.6	-58.7	-32.1	0	0	112.2	L624 Q625 K630 E631 L632 L635 I704 K707	L624-M628 WeakPolarHBondContact O-CB 3.27Å; L624-M628 VanDerWaalsContact O-CG 3.27Å; L624-M628 WeakPolarHBondContact O-CG 3.28Å; L624-M628 PolarHBondContact O-N 3.17Å; Q625-M628 PolarHBondContact O-N 3.32Å; M628-K630 VanDerWaalsContact C-N 3.3Å; M628-K630 PolarHBondContact O-N 3.28Å; M628-E631 PolarHBondContact O-N 2.93Å; M628-L632 WeakPolarHBondContact O-CB 3.48Å; M628-L632 PolarHBondContact O-N 3.25Å; M628-L635 HydrophobicContact CE-CD1 3.6Å; M628-I704 HydrophobicContact CE-CG1 4.48Å; M628-I704 HydrophobicContact CG-CG1 3.92Å; M628-I704 HydrophobicContact SD-CG1 3.91Å; M628-K707 HydrophobicContact SD-CD 3.99Å
629	L	77.5	Confident	83.1	Confident	90 Å²	90	48.8 Å²	48.8	47%	0.471	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-37.3	178.5	-83.5	165.4	0	0	0	113.7	Y96 Q625 M627 E631	Y96-L629 HydrophobicContact CD2-CD2 3.82Å; Y96-L629 HydrophobicContact CD2-CG 4.45Å; Y96-L629 HydrophobicContact CE2-CD1 3.75Å; Y96-L629 HydrophobicContact CE2-CD2 3.43Å; Y96-L629 VanDerWaalsContact CE2-CD2 3.43Å; Y96-L629 HydrophobicContact CE2-CG 3.87Å; Q625-L629 HydrophobicContact CG-CD1 4.08Å; Q625-L629 WeakPolarHBondContact O-CB 3.08Å; Q625-L629 WeakPolarHBondContact O-CD1 3.37Å; Q625-L629 WeakPolarHBondContact O-CG 3.49Å; Q625-L629 PolarHBondContact O-N 3.04Å; M627-L629 VanDerWaalsContact C-N 3.33Å; M627-L629 PolarHBondContact O-N 3.17Å; L629-E631 VanDerWaalsContact C-N 3.34Å
630	K	80.7	Confident	83.2	Confident	170 Å²	170	50.9 Å²	50.9	74%	0.739	28%	0.278	S	S	*	.	H	α-helix	trans	-73	-29.3	-178.4	-69.9	174.7	-176	178.1	0	112.4	S626 M627 M628	S626-K630 WeakPolarHBondContact O-CG 3.04Å; M627-K630 PolarHBondContact O-N 3.47Å; M628-K630 VanDerWaalsContact C-N 3.3Å; M628-K630 PolarHBondContact O-N 3.28Å
631	E	81.9	Confident	83.4	Confident	68 Å²	68	57.1 Å²	57.1	32%	0.318	31%	0.306	S	S	.	.	H	α-helix	trans	-108.9	-8.5	-171.1	-64.6	176	-138.2	0	0	113.7	M627 M628 L629 A633 S634 L635 K707	M627-E631 PolarHBondContact O-N 3.32Å; M628-E631 PolarHBondContact O-N 2.93Å; L629-E631 VanDerWaalsContact C-N 3.34Å; E631-A633 VanDerWaalsContact C-N 3.31Å; E631-A633 PolarHBondContact O-N 3.4Å; E631-S634 PolarHBondContact O-N 3.03Å; E631-S634 VanDerWaalsContact O-N 3.08Å; E631-S634 PolarHBondContact O-OG 3.5Å; E631-L635 HydrophobicContact CB-CD1 3.87Å; E631-L635 HydrophobicContact CB-CG 4.17Å; E631-L635 VanDerWaalsContact O-CG 3.28Å; E631-L635 WeakPolarHBondContact O-CG 3.01Å; E631-L635 PolarHBondContact O-N 2.67Å; E631-K707 IonicContact OE1-NZ 3.4Å; E631-K707 PolarHBondContact OE1-NZ 2.75Å; E631-K707 VanDerWaalsContact OE1-NZ 3.12Å; E631-K707 IonicContact OE2-NZ 3.06Å; E631-K707 PolarHBondContact OE2-NZ 2.78Å
632	L	79.8	Confident	83.6	Confident	22 Å²	22	59.6 Å²	59.6	12%	0.115	32%	0.32	C	S	.	.	H	α-helix	trans	-53.4	-46.3	-171	-174.4	63.9	0	0	0	113.3	A92 M628 S634 L635 E636 L700	A92-L632 HydrophobicContact CB-CD2 3.36Å; M628-L632 WeakPolarHBondContact O-CB 3.48Å; M628-L632 PolarHBondContact O-N 3.25Å; L632-S634 PolarHBondContact O-N 3.35Å; L632-L635 PolarHBondContact O-N 2.79Å; L632-E636 WeakPolarHBondContact O-CG 3.44Å; L632-E636 PolarHBondContact O-N 3.41Å; L632-L700 HydrophobicContact CD1-CD1 4.18Å; L632-L700 HydrophobicContact CD1-CD2 3.85Å
633	A	81.2	Confident	83.9	Confident	81 Å²	81	56.8 Å²	56.8	67%	0.669	31%	0.306	S	S	*	.	H	α-helix	trans	-65.2	-37.4	-178.5	0	0	0	0	0	112.8	E631 L637	E631-A633 VanDerWaalsContact C-N 3.31Å; E631-A633 PolarHBondContact O-N 3.4Å; A633-L637 WeakPolarHBondContact O-CB 3.18Å; A633-L637 PolarHBondContact O-N 2.91Å
634	S	85.1	Confident	84	Confident	59 Å²	59	58 Å²	58	41%	0.413	31%	0.307	S	S	.	.	H	α-helix	trans	-73.2	-38.3	177.4	54.2	0	0	0	0	111.6	E631 L632 L637 N638	E631-S634 PolarHBondContact O-N 3.03Å; E631-S634 VanDerWaalsContact O-N 3.08Å; E631-S634 PolarHBondContact O-OG 3.5Å; L632-S634 PolarHBondContact O-N 3.35Å; S634-L637 PolarHBondContact O-N 3.3Å; S634-N638 WeakPolarHBondContact O-CB 3.01Å; S634-N638 PolarHBondContact O-N 3.07Å; S634-N638 PolarHBondContact O-OD1 2.88Å
635	L	84.4	Confident	84.1	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-64.2	-44.1	176.8	-65.4	169.1	0	0	0	111.8	M628 E631 L632 L637 N638 F639 Y699 L700 L703	M628-L635 HydrophobicContact CE-CD1 3.6Å; E631-L635 HydrophobicContact CB-CD1 3.87Å; E631-L635 HydrophobicContact CB-CG 4.17Å; E631-L635 VanDerWaalsContact O-CG 3.28Å; E631-L635 WeakPolarHBondContact O-CG 3.01Å; E631-L635 PolarHBondContact O-N 2.67Å; L632-L635 PolarHBondContact O-N 2.79Å; L635-L637 VanDerWaalsContact C-N 3.33Å; L635-L637 PolarHBondContact O-N 2.94Å; L635-N638 PolarHBondContact O-N 3.39Å; L635-F639 PolarHBondContact O-N 3.29Å; L635-Y699 HydrophobicContact CB-CE1 4.46Å; L635-L700 HydrophobicContact CB-CD2 4.43Å; L635-L703 HydrophobicContact CB-CD1 4.27Å; L635-L703 HydrophobicContact CD1-CD1 3.8Å; L635-L703 HydrophobicContact CD2-CD1 3.76Å; L635-L703 HydrophobicContact CG-CD1 4.14Å
636	E	84.9	Confident	84.4	Confident	34 Å²	34	68 Å²	68	16%	0.159	37%	0.372	C	S	.	.	H	α-helix	trans	-61.5	-41	174.3	-77.1	-169.2	-163.6	0	0	112.3	L632 K640 L696 L700	L632-E636 WeakPolarHBondContact O-CG 3.44Å; L632-E636 PolarHBondContact O-N 3.41Å; E636-K640 WeakPolarHBondContact O-CB 3.43Å; E636-K640 WeakPolarHBondContact O-CG 3.43Å; E636-K640 PolarHBondContact O-N 3.21Å; E636-K640 IonicContact OE2-NZ 3.94Å; E636-K640 PolarHBondContact OE2-NZ 3.21Å; E636-L696 HydrophobicContact CG-CD1 4.34Å; E636-L696 HydrophobicContact CG-CD2 4.49Å; E636-L700 HydrophobicContact CG-CD1 4.28Å
637	L	87.5	Confident	84.6	Confident	95 Å²	95	68.3 Å²	68.3	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-64.2	-46.3	178.9	-176.1	66.5	0	0	0	111	A633 S634 L635 F639 K640 Q641	A633-L637 WeakPolarHBondContact O-CB 3.18Å; A633-L637 PolarHBondContact O-N 2.91Å; S634-L637 PolarHBondContact O-N 3.3Å; L635-L637 VanDerWaalsContact C-N 3.33Å; L635-L637 PolarHBondContact O-N 2.94Å; L637-F639 VanDerWaalsContact C-N 3.34Å; L637-F639 PolarHBondContact O-N 2.76Å; L637-K640 PolarHBondContact O-N 2.95Å; L637-Q641 VanDerWaalsContact O-CG 3.31Å; L637-Q641 WeakPolarHBondContact O-CG 3.49Å; L637-Q641 PolarHBondContact O-N 3.18Å
638	N	86.1	Confident	85	Confident	48 Å²	48	73.3 Å²	73.3	26%	0.257	40%	0.395	S	S	.	.	H	α-helix	trans	-61.1	-42.9	178.7	-70.9	-5.7	0	0	0	111.7	S634 L635 Q641 L642	S634-N638 WeakPolarHBondContact O-CB 3.01Å; S634-N638 PolarHBondContact O-N 3.07Å; S634-N638 PolarHBondContact O-OD1 2.88Å; L635-N638 PolarHBondContact O-N 3.39Å; N638-Q641 PolarHBondContact O-N 3.13Å; N638-L642 PolarHBondContact O-N 2.97Å
639	F	88.3	Confident	85.6	Confident	4 Å²	4	75.4 Å²	75.4	2%	0.018	40%	0.404	C	S	.	.	H	α-helix	trans	-60.4	-50.8	174.8	-178.1	-80.9	0	0	0	111.3	L635 L637 Q641 L642 C643 I650 D695 L696 Y699	L635-F639 PolarHBondContact O-N 3.29Å; L637-F639 VanDerWaalsContact C-N 3.34Å; L637-F639 PolarHBondContact O-N 2.76Å; F639-Q641 PolarHBondContact O-N 2.94Å; F639-L642 PolarHBondContact O-N 3.23Å; F639-L642 VanDerWaalsContact O-N 3.16Å; F639-C643 HydrophobicContact CD1-CB 4.02Å; F639-C643 HydrophobicContact CE1-CB 3.67Å; F639-C643 HydrophobicContact CZ-CB 4.18Å; F639-C643 VanDerWaalsContact O-CB 3.27Å; F639-C643 WeakPolarHBondContact O-CB 3.29Å; F639-C643 PolarHBondContact O-N 3.17Å; F639-I650 HydrophobicContact CD2-CD1 3.88Å; F639-I650 HydrophobicContact CD2-CG1 4.33Å; F639-I650 HydrophobicContact CD2-CG2 4.02Å; F639-I650 HydrophobicContact CE2-CB 4.26Å; F639-I650 HydrophobicContact CE2-CD1 3.7Å; F639-I650 HydrophobicContact CE2-CG1 3.69Å; F639-I650 HydrophobicContact CE2-CG2 3.71Å; F639-I650 HydrophobicContact CZ-CG1 4.47Å; F639-I650 HydrophobicContact CZ-CG2 4.07Å; F639-D695 VanDerWaalsContact CZ-C 3.4Å; F639-L696 HydrophobicContact CB-CD1 3.64Å; F639-L696 HydrophobicContact CD1-CB 3.8Å; F639-L696 HydrophobicContact CD1-CD1 3.55Å; F639-L696 HydrophobicContact CD1-CG 4.14Å; F639-L696 HydrophobicContact CD2-CD1 4.08Å; F639-L696 HydrophobicContact CE1-CB 3.6Å; F639-L696 HydrophobicContact CE1-CD1 4.24Å; F639-L696 HydrophobicContact CE1-CG 4.44Å; F639-L696 HydrophobicContact CG-CB 4.39Å; F639-L696 HydrophobicContact CG-CD1 3.47Å; F639-L696 VanDerWaalsContact CG-CD1 3.47Å; F639-L696 HydrophobicContact CG-CG 4.48Å; F639-L696 HydrophobicContact CZ-CB 3.99Å; F639-Y699 HydrophobicContact CB-CD1 4.05Å; F639-Y699 HydrophobicContact CB-CE1 3.9Å; F639-Y699 AromaticContact CD2-CD1 3.51Å; F639-Y699 HydrophobicContact CD2-CD1 3.51Å; F639-Y699 HydrophobicContact CD2-CD2 4.07Å; F639-Y699 HydrophobicContact CD2-CE1 4.07Å; F639-Y699 AromaticContact CD2-CG 3.48Å; F639-Y699 HydrophobicContact CD2-CG 3.48Å; F639-Y699 VanDerWaalsContact CD2-CG 3.48Å; F639-Y699 HydrophobicContact CE2-CD1 4.31Å; F639-Y699 AromaticContact CE2-CG 3.94Å; F639-Y699 HydrophobicContact CE2-CG 3.94Å; F639-Y699 HydrophobicContact CG-CD1 4.09Å; F639-Y699 HydrophobicContact CG-CE1 4.42Å; F639-Y699 HydrophobicContact CG-CG 4.48Å
640	K	88.9	Confident	86.2	Confident	120 Å²	120	71.1 Å²	71.1	52%	0.522	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-32.7	-177.7	-74.7	172.2	-176.9	160.4	0	112.4	E636 L637 C643	E636-K640 WeakPolarHBondContact O-CB 3.43Å; E636-K640 WeakPolarHBondContact O-CG 3.43Å; E636-K640 PolarHBondContact O-N 3.21Å; E636-K640 IonicContact OE2-NZ 3.94Å; E636-K640 PolarHBondContact OE2-NZ 3.21Å; L637-K640 PolarHBondContact O-N 2.95Å; K640-C643 PolarHBondContact O-SG 3.29Å
641	Q	88.5	Confident	86.7	Confident	132 Å²	132	65.9 Å²	65.9	62%	0.617	36%	0.362	S	S	*	.	H	α-helix	trans	-70.1	-33.7	177.2	-75.3	176.6	-0.8	0	0	113.6	L637 N638 F639	L637-Q641 VanDerWaalsContact O-CG 3.31Å; L637-Q641 WeakPolarHBondContact O-CG 3.49Å; L637-Q641 PolarHBondContact O-N 3.18Å; N638-Q641 PolarHBondContact O-N 3.13Å; F639-Q641 PolarHBondContact O-N 2.94Å
642	L	89.3	Confident	87.1	Confident	65 Å²	65	64 Å²	64	34%	0.34	36%	0.356	S	S	.	.	H	α-helix	trans	-108.2	-10.5	-171.8	-65.1	173.8	0	0	0	114	N638 F639 I654 I658	N638-L642 PolarHBondContact O-N 2.97Å; F639-L642 PolarHBondContact O-N 3.23Å; F639-L642 VanDerWaalsContact O-N 3.16Å; L642-I654 HydrophobicContact CB-CG2 3.77Å; L642-I658 HydrophobicContact CB-CD1 4.41Å; L642-I658 HydrophobicContact CD1-CD1 4.2Å; L642-I658 HydrophobicContact CD1-CG1 3.53Å
643	C	90.5	Very high	87.6	Confident	23 Å²	23	72.5 Å²	72.5	16%	0.155	39%	0.386	C	S	.	.	S	Bend	trans	-64.6	152.8	176.7	74.7	0	0	0	0	112.1	F639 K640 I650	F639-C643 HydrophobicContact CD1-CB 4.02Å; F639-C643 HydrophobicContact CE1-CB 3.67Å; F639-C643 HydrophobicContact CZ-CB 4.18Å; F639-C643 VanDerWaalsContact O-CB 3.27Å; F639-C643 WeakPolarHBondContact O-CB 3.29Å; F639-C643 PolarHBondContact O-N 3.17Å; K640-C643 PolarHBondContact O-SG 3.29Å; C643-I650 HydrophobicContact CB-CG2 3.99Å
644	N	86.8	Confident	88	Confident	66 Å²	66	70.6 Å²	70.6	35%	0.353	37%	0.365	S	S	.	.			trans	-65.6	123.2	173.3	175.4	-64.1	0	0	0	109.2	V646 T647 E648 K649	N644-V646 PolarHBondContact O-N 3.32Å; N644-V646 VanDerWaalsContact O-N 3.09Å; N644-V646 WeakPolarHBondContact OD1-CB 3.3Å; N644-V646 PolarHBondContact OD1-N 3.43Å; N644-T647 VanDerWaalsContact CB-OG1 3.3Å; N644-T647 WeakPolarHBondContact CB-OG1 3.41Å; N644-T647 VanDerWaalsContact CG-OG1 3.26Å; N644-T647 PolarHBondContact O-N 2.94Å; N644-T647 PolarHBondContact OD1-N 3.05Å; N644-T647 PolarHBondContact OD1-OG1 3.2Å; N644-E648 VanDerWaalsContact O-CA 3.3Å; N644-E648 WeakPolarHBondContact O-CA 3.38Å; N644-E648 PolarHBondContact O-N 3.46Å; N644-K649 PolarHBondContact N-O 2.95Å
645	P	85.3	Confident	88.3	Confident	118 Å²	118	67.8 Å²	67.8	77%	0.766	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-14	-170.8	27	-35.8	0	0	0	114.3
646	V	84.5	Confident	88.5	Confident	131 Å²	131	67.9 Å²	67.9	79%	0.794	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-41.1	179.3	-178.3	0	0	0	0	111.3	N644	N644-V646 PolarHBondContact O-N 3.32Å; N644-V646 VanDerWaalsContact O-N 3.09Å; N644-V646 WeakPolarHBondContact OD1-CB 3.3Å; N644-V646 PolarHBondContact OD1-N 3.43Å
647	T	85.2	Confident	88.6	Confident	64 Å²	64	69 Å²	69	39%	0.393	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-14.1	-175.3	55.7	0	0	0	0	113.6	N644 K649	N644-T647 VanDerWaalsContact CB-OG1 3.3Å; N644-T647 WeakPolarHBondContact CB-OG1 3.41Å; N644-T647 VanDerWaalsContact CG-OG1 3.26Å; N644-T647 PolarHBondContact O-N 2.94Å; N644-T647 PolarHBondContact OD1-N 3.05Å; N644-T647 PolarHBondContact OD1-OG1 3.2Å; T647-K649 WeakPolarHBondContact O-CG 3.26Å; T647-K649 PolarHBondContact O-N 2.82Å
648	E	89.2	Confident	88.6	Confident	139 Å²	139	64.5 Å²	64.5	65%	0.65	33%	0.333	S	S	*	.			trans	55.8	30.8	-174.1	-58	-174.9	167.8	0	0	113.5	N644	N644-E648 VanDerWaalsContact O-CA 3.3Å; N644-E648 WeakPolarHBondContact O-CA 3.38Å; N644-E648 PolarHBondContact O-N 3.46Å
649	K	91.3	Very high	88.6	Confident	49 Å²	49	62.3 Å²	62.3	21%	0.213	32%	0.321	C	S	.	.			trans	-124.5	157.8	-177	-68.9	178.3	-178.9	-171.9	0	112.8	N644 T647 N689 Q693 I694 D695	N644-K649 PolarHBondContact N-O 2.95Å; T647-K649 WeakPolarHBondContact O-CG 3.26Å; T647-K649 PolarHBondContact O-N 2.82Å; K649-N689 PolarHBondContact NZ-ND2 2.9Å; K649-Q693 HydrophobicContact CB-CB 4.08Å; K649-Q693 HydrophobicContact CD-CB 4.1Å; K649-I694 VanDerWaalsContact CA-O 3.26Å; K649-I694 WeakPolarHBondContact CA-O 3.49Å; K649-I694 WeakPolarHBondContact CB-O 3.44Å; K649-D695 HydrophobicContact CG-CB 4.28Å
650	I	91.7	Very high	88.3	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	151.3	172.3	64.7	175.3	0	0	0	111.2	F639 C643 I654 L655 I658 Q693 I694 Y699	F639-I650 HydrophobicContact CD2-CD1 3.88Å; F639-I650 HydrophobicContact CD2-CG1 4.33Å; F639-I650 HydrophobicContact CD2-CG2 4.02Å; F639-I650 HydrophobicContact CE2-CB 4.26Å; F639-I650 HydrophobicContact CE2-CD1 3.7Å; F639-I650 HydrophobicContact CE2-CG1 3.69Å; F639-I650 HydrophobicContact CE2-CG2 3.71Å; F639-I650 HydrophobicContact CZ-CG1 4.47Å; F639-I650 HydrophobicContact CZ-CG2 4.07Å; C643-I650 HydrophobicContact CB-CG2 3.99Å; I650-I654 HydrophobicContact CB-CB 4.12Å; I650-I654 HydrophobicContact CB-CG2 3.87Å; I650-I654 HydrophobicContact CG2-CB 4.39Å; I650-I654 HydrophobicContact CG2-CG2 3.63Å; I650-L655 HydrophobicContact CD1-CB 4.28Å; I650-L655 HydrophobicContact CD1-CD1 4.14Å; I650-I658 HydrophobicContact CD1-CD1 4.11Å; I650-I658 HydrophobicContact CG2-CD1 4.5Å; I650-Q693 WeakPolarHBondContact O-CA 3.48Å; I650-Q693 WeakPolarHBondContact O-CB 3.34Å; I650-I694 HydrophobicContact CD1-CD1 4.19Å; I650-I694 HydrophobicContact CD1-CG1 4.06Å; I650-I694 HydrophobicContact CG1-CD1 4.26Å; I650-I694 HydrophobicContact CG1-CG1 3.58Å; I650-I694 PolarHBondContact N-O 3.16Å; I650-I694 PolarHBondContact O-N 2.93Å; I650-Y699 HydrophobicContact CD1-CD2 3.71Å; I650-Y699 HydrophobicContact CD1-CE2 4.27Å; I650-Y699 HydrophobicContact CD1-CG 4.33Å
651	N	91.1	Very high	87.7	Confident	59 Å²	59	65.5 Å²	65.5	32%	0.316	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	179.5	173.4	66.9	16.5	0	0	0	111	R653 I654 L655 Q693	N651-R653 VanDerWaalsContact C-N 3.27Å; N651-R653 PolarHBondContact O-N 3.43Å; N651-R653 PolarHBondContact OD1-N 2.91Å; N651-I654 PolarHBondContact O-N 2.88Å; N651-I654 WeakPolarHBondContact OD1-CG1 3.46Å; N651-I654 PolarHBondContact OD1-N 3.06Å; N651-L655 WeakPolarHBondContact O-CB 3.25Å; N651-L655 PolarHBondContact O-N 3.19Å; N651-Q693 HydrophobicContact CB-CG 4.28Å
652	S	89.7	Confident	86.9	Confident	28 Å²	28	60.3 Å²	60.3	20%	0.196	32%	0.318	C	S	.	.	H	α-helix	trans	-61.9	-33.5	-173.2	54.8	0	0	0	0	113.2	G656 C679 S680	S652-G656 PolarHBondContact O-N 3.24Å; S652-C679 VanDerWaalsContact O-CB 3.28Å; S652-C679 WeakPolarHBondContact O-CB 3.25Å; S652-S680 VanDerWaalsContact CB-OG 3.31Å; S652-S680 WeakPolarHBondContact CB-OG 3.41Å; S652-S680 PolarHBondContact OG-OG 2.75Å
653	R	89.6	Confident	85.5	Confident	201 Å²	201	64.5 Å²	64.5	76%	0.758	34%	0.341	S	S	*	.	H	α-helix	trans	-66.3	-48	176.3	-175	178.7	-179.6	-178.8	0.8	111.9	N651 L655 G656 T657	N651-R653 VanDerWaalsContact C-N 3.27Å; N651-R653 PolarHBondContact O-N 3.43Å; N651-R653 PolarHBondContact OD1-N 2.91Å; R653-L655 VanDerWaalsContact C-N 3.33Å; R653-G656 PolarHBondContact O-N 2.96Å; R653-T657 PolarHBondContact O-N 3.28Å; R653-T657 VanDerWaalsContact O-N 3.12Å; R653-T657 PolarHBondContact O-OG1 2.79Å
654	I	89.9	Confident	84.1	Confident	42 Å²	42	63.9 Å²	63.9	22%	0.215	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-40.7	178.8	-66	163.3	0	0	0	110.1	L642 I650 N651 G656 T657 I658	L642-I654 HydrophobicContact CB-CG2 3.77Å; I650-I654 HydrophobicContact CB-CB 4.12Å; I650-I654 HydrophobicContact CB-CG2 3.87Å; I650-I654 HydrophobicContact CG2-CB 4.39Å; I650-I654 HydrophobicContact CG2-CG2 3.63Å; N651-I654 PolarHBondContact O-N 2.88Å; N651-I654 WeakPolarHBondContact OD1-CG1 3.46Å; N651-I654 PolarHBondContact OD1-N 3.06Å; I654-G656 VanDerWaalsContact C-N 3.33Å; I654-G656 PolarHBondContact O-N 2.97Å; I654-T657 PolarHBondContact O-N 2.8Å; I654-I658 HydrophobicContact CG2-CD1 3.84Å; I654-I658 HydrophobicContact CG2-CG1 4.38Å; I654-I658 WeakPolarHBondContact O-CG1 3.33Å; I654-I658 PolarHBondContact O-N 2.82Å
655	L	91.1	Very high	82.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-56.4	-48.6	174	179.6	64.6	0	0	0	110.8	I650 N651 R653 T657 I658 L659 C679 L682 I683 Y699 L702	I650-L655 HydrophobicContact CD1-CB 4.28Å; I650-L655 HydrophobicContact CD1-CD1 4.14Å; N651-L655 WeakPolarHBondContact O-CB 3.25Å; N651-L655 PolarHBondContact O-N 3.19Å; R653-L655 VanDerWaalsContact C-N 3.33Å; L655-T657 PolarHBondContact O-N 3.29Å; L655-I658 PolarHBondContact O-N 3.06Å; L655-I658 VanDerWaalsContact O-N 3.15Å; L655-L659 HydrophobicContact CD1-CD1 4.04Å; L655-L659 HydrophobicContact CD1-CD2 4.29Å; L655-L659 HydrophobicContact CD1-CG 3.96Å; L655-L659 HydrophobicContact CD2-CD1 4.39Å; L655-L659 HydrophobicContact CG-CD1 3.85Å; L655-L659 HydrophobicContact CG-CG 4.17Å; L655-L659 VanDerWaalsContact O-CG 3.29Å; L655-L659 WeakPolarHBondContact O-CG 3.41Å; L655-L659 PolarHBondContact O-N 3.17Å; L655-C679 HydrophobicContact CD2-CB 4.43Å; L655-L682 HydrophobicContact CD2-CB 4.19Å; L655-I683 HydrophobicContact CB-CD1 4.36Å; L655-I683 HydrophobicContact CD2-CD1 4.24Å; L655-I683 HydrophobicContact CD2-CG1 3.69Å; L655-Y699 HydrophobicContact CD1-CD2 4.13Å; L655-Y699 HydrophobicContact CD1-CE2 4.1Å; L655-L702 HydrophobicContact CD1-CD2 4.3Å; L655-L702 HydrophobicContact CD2-CD2 3.77Å
656	G	89	Confident	81.3	Confident	6 Å²	6	65.6 Å²	65.6	6%	0.062	35%	0.346	C	S	.	.	H	α-helix	trans	-53.7	-51.2	175.6	0	0	0	0	0	112.3	S652 R653 I654 I658 L659 D660 C679	S652-G656 PolarHBondContact O-N 3.24Å; R653-G656 PolarHBondContact O-N 2.96Å; I654-G656 VanDerWaalsContact C-N 3.33Å; I654-G656 PolarHBondContact O-N 2.97Å; G656-I658 VanDerWaalsContact C-N 3.3Å; G656-I658 PolarHBondContact O-N 3.31Å; G656-L659 PolarHBondContact O-N 2.97Å; G656-L659 VanDerWaalsContact O-N 3.09Å; G656-D660 WeakPolarHBondContact O-CB 3.43Å; G656-D660 PolarHBondContact O-N 3Å; G656-D660 VanDerWaalsContact O-OD2 3.11Å; G656-C679 WeakPolarHBondContact CA-SG 3.33Å
657	T	87.4	Confident	80	Confident	58 Å²	58	62.2 Å²	62.2	36%	0.356	32%	0.32	S	S	.	.	H	α-helix	trans	-57	-40.8	177	-55.8	0	0	0	0	113.1	R653 I654 L655 Q661	R653-T657 PolarHBondContact O-N 3.28Å; R653-T657 VanDerWaalsContact O-N 3.12Å; R653-T657 PolarHBondContact O-OG1 2.79Å; I654-T657 PolarHBondContact O-N 2.8Å; L655-T657 PolarHBondContact O-N 3.29Å; T657-Q661 WeakPolarHBondContact O-CB 3.25Å; T657-Q661 WeakPolarHBondContact O-CG 3.15Å; T657-Q661 PolarHBondContact O-N 2.94Å
658	I	86.8	Confident	78.7	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-66.2	-44.9	177.1	-69.2	166.8	0	0	0	110.8	L642 I650 I654 L655 G656 Q661 S662 Y699	L642-I658 HydrophobicContact CB-CD1 4.41Å; L642-I658 HydrophobicContact CD1-CD1 4.2Å; L642-I658 HydrophobicContact CD1-CG1 3.53Å; I650-I658 HydrophobicContact CD1-CD1 4.11Å; I650-I658 HydrophobicContact CG2-CD1 4.5Å; I654-I658 HydrophobicContact CG2-CD1 3.84Å; I654-I658 HydrophobicContact CG2-CG1 4.38Å; I654-I658 WeakPolarHBondContact O-CG1 3.33Å; I654-I658 PolarHBondContact O-N 2.82Å; L655-I658 PolarHBondContact O-N 3.06Å; L655-I658 VanDerWaalsContact O-N 3.15Å; G656-I658 VanDerWaalsContact C-N 3.3Å; G656-I658 PolarHBondContact O-N 3.31Å; I658-Q661 PolarHBondContact O-N 3.31Å; I658-S662 WeakPolarHBondContact O-CB 3.32Å; I658-S662 PolarHBondContact O-N 3.03Å; I658-S662 VanDerWaalsContact O-N 3.09Å; I658-S662 PolarHBondContact O-OG 3.39Å; I658-Y699 HydrophobicContact CG2-CE2 4.11Å; I658-Y699 WeakPolarHBondContact CG2-OH 3.5Å
659	L	86	Confident	77.3	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-68.5	-38.8	-178.3	-64.1	178.8	0	0	0	111.6	L655 G656 Q661 S662 F664 F674 L682 L703 L706	L655-L659 HydrophobicContact CD1-CD1 4.04Å; L655-L659 HydrophobicContact CD1-CD2 4.29Å; L655-L659 HydrophobicContact CD1-CG 3.96Å; L655-L659 HydrophobicContact CD2-CD1 4.39Å; L655-L659 HydrophobicContact CG-CD1 3.85Å; L655-L659 HydrophobicContact CG-CG 4.17Å; L655-L659 VanDerWaalsContact O-CG 3.29Å; L655-L659 WeakPolarHBondContact O-CG 3.41Å; L655-L659 PolarHBondContact O-N 3.17Å; G656-L659 PolarHBondContact O-N 2.97Å; G656-L659 VanDerWaalsContact O-N 3.09Å; L659-Q661 VanDerWaalsContact C-N 3.31Å; L659-Q661 PolarHBondContact O-N 3.14Å; L659-S662 WeakPolarHBondContact O-CB 3.38Å; L659-S662 PolarHBondContact O-N 2.63Å; L659-S662 VanDerWaalsContact O-N 3.15Å; L659-F664 HydrophobicContact CB-CE2 4.38Å; L659-F664 HydrophobicContact CD2-CD2 4.38Å; L659-F664 HydrophobicContact CD2-CE2 3.46Å; L659-F664 VanDerWaalsContact CD2-CE2 3.46Å; L659-F664 HydrophobicContact CD2-CZ 3.92Å; L659-F664 WeakPolarHBondContact O-CD2 3.44Å; L659-F674 HydrophobicContact CB-CD2 3.39Å; L659-F674 HydrophobicContact CB-CE2 3.53Å; L659-F674 HydrophobicContact CB-CG 3.92Å; L659-F674 HydrophobicContact CB-CZ 4.18Å; L659-F674 HydrophobicContact CD1-CD1 3.87Å; L659-F674 HydrophobicContact CD1-CD2 4.25Å; L659-F674 HydrophobicContact CD1-CE1 4.02Å; L659-F674 HydrophobicContact CD1-CE2 4.36Å; L659-F674 HydrophobicContact CD1-CG 3.99Å; L659-F674 HydrophobicContact CD1-CZ 4.25Å; L659-F674 HydrophobicContact CG-CD2 4.45Å; L659-F674 HydrophobicContact CG-CE2 4.45Å; L659-L682 HydrophobicContact CD1-CD1 4.16Å; L659-L703 HydrophobicContact CD2-CD2 3.76Å; L659-L706 HydrophobicContact CD1-CD2 4.08Å; L659-L706 HydrophobicContact CD2-CD2 3.74Å
660	D	82.5	Confident	75.6	Confident	62 Å²	62	58.1 Å²	58.1	33%	0.332	32%	0.318	S	S	.	.	H	α-helix	trans	-65.7	-32.4	176.3	-63.6	-26.8	0	0	0	112.7	G656 E673 F674	G656-D660 WeakPolarHBondContact O-CB 3.43Å; G656-D660 PolarHBondContact O-N 3Å; G656-D660 VanDerWaalsContact O-OD2 3.11Å; D660-E673 VanDerWaalsContact OD1-CA 3.26Å; D660-E673 WeakPolarHBondContact OD1-CA 3.4Å; D660-F674 PolarHBondContact OD1-N 2.85Å
661	Q	76.9	Confident	74.3	Confident	129 Å²	129	59.7 Å²	59.7	60%	0.603	33%	0.325	S	S	*	.	H	α-helix	trans	-81.4	-16.1	175.1	-71.2	174.3	6.3	0	0	113.3	T657 I658 L659	T657-Q661 WeakPolarHBondContact O-CB 3.25Å; T657-Q661 WeakPolarHBondContact O-CG 3.15Å; T657-Q661 PolarHBondContact O-N 2.94Å; I658-Q661 PolarHBondContact O-N 3.31Å; L659-Q661 VanDerWaalsContact C-N 3.31Å; L659-Q661 PolarHBondContact O-N 3.14Å
662	S	70.4	Confident	73.1	Confident	22 Å²	22	63.6 Å²	63.6	15%	0.154	35%	0.352	C	S	.	.	S	Bend	trans	-80	151.2	-178.6	-65.2	0	0	0	0	110.6	I658 L659 F664	I658-S662 WeakPolarHBondContact O-CB 3.32Å; I658-S662 PolarHBondContact O-N 3.03Å; I658-S662 VanDerWaalsContact O-N 3.09Å; I658-S662 PolarHBondContact O-OG 3.39Å; L659-S662 WeakPolarHBondContact O-CB 3.38Å; L659-S662 PolarHBondContact O-N 2.63Å; L659-S662 VanDerWaalsContact O-N 3.15Å; S662-F664 VanDerWaalsContact CB-CD2 3.45Å; S662-F664 VanDerWaalsContact CB-CE2 3.46Å; S662-F664 PolarHBondContact O-N 2.87Å
663	N	60.1	Low	72.5	Confident	153 Å²	153	68.6 Å²	68.6	82%	0.818	37%	0.372	S	S	*	.	S	Bend	trans	-71.6	43.6	178	-79.3	-2.9	0	0	0	113.2	G665	N663-G665 PolarHBondContact O-N 2.82Å
664	F	61.9	Low	72.3	Confident	10 Å²	10	59.6 Å²	59.6	4%	0.044	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-70.8	-9.1	169	-69.7	-73.5	0	0	0	112.2	L659 S662 E666 Y667 M668 F674 L703 L706 K707 M710	L659-F664 HydrophobicContact CB-CE2 4.38Å; L659-F664 HydrophobicContact CD2-CD2 4.38Å; L659-F664 HydrophobicContact CD2-CE2 3.46Å; L659-F664 VanDerWaalsContact CD2-CE2 3.46Å; L659-F664 HydrophobicContact CD2-CZ 3.92Å; L659-F664 WeakPolarHBondContact O-CD2 3.44Å; S662-F664 VanDerWaalsContact CB-CD2 3.45Å; S662-F664 VanDerWaalsContact CB-CE2 3.46Å; S662-F664 PolarHBondContact O-N 2.87Å; F664-E666 PolarHBondContact O-N 3.23Å; F664-E666 VanDerWaalsContact O-N 3.08Å; F664-Y667 CarbonylContact O-C 3.48Å; F664-Y667 WeakPolarHBondContact O-CA 3.44Å; F664-Y667 PolarHBondContact O-N 3.29Å; F664-M668 HydrophobicContact CB-CG 3.41Å; F664-M668 VanDerWaalsContact CB-CG 3.41Å; F664-M668 HydrophobicContact CB-SD 4.23Å; F664-M668 WeakPolarHBondContact O-CB 3.38Å; F664-M668 WeakPolarHBondContact O-CG 3.21Å; F664-M668 PolarHBondContact O-N 3.12Å; F664-F674 HydrophobicContact CD2-CE2 4.13Å; F664-F674 HydrophobicContact CD2-CZ 4.39Å; F664-F674 HydrophobicContact CG-CE2 4.47Å; F664-F674 HydrophobicContact CG-CZ 4.48Å; F664-L703 HydrophobicContact CZ-CD2 4.16Å; F664-L706 HydrophobicContact CE1-CD2 4.22Å; F664-L706 HydrophobicContact CE1-CG 4.42Å; F664-L706 HydrophobicContact CZ-CD2 3.93Å; F664-K707 HydrophobicContact CE1-CG 3.79Å; F664-K707 HydrophobicContact CZ-CG 4.48Å; F664-M710 HydrophobicContact CB-CE 4.14Å; F664-M710 HydrophobicContact CD1-CE 3.9Å; F664-M710 HydrophobicContact CD1-SD 3.47Å; F664-M710 WeakPolarHBondContact CD1-SD 3.48Å; F664-M710 HydrophobicContact CE1-SD 3.84Å; F664-M710 HydrophobicContact CG-CE 4.38Å; F664-M710 HydrophobicContact CG-SD 4.36Å
665	G	56.2	Low	72.1	Confident	57 Å²	57	59 Å²	59	59%	0.588	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-51.7	-30.7	-176.9	0	0	0	0	0	116	N663 Y667	N663-G665 PolarHBondContact O-N 2.82Å; G665-Y667 PolarHBondContact O-N 2.68Å
666	E	57.6	Low	71.9	Confident	163 Å²	163	62.8 Å²	62.8	76%	0.762	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-69.5	-20.3	174.1	-69.3	-175	169.6	0	0	113.4	F664	F664-E666 PolarHBondContact O-N 3.23Å; F664-E666 VanDerWaalsContact O-N 3.08Å
667	Y	57.3	Low	72	Confident	60 Å²	60	66.7 Å²	66.7	24%	0.235	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-8	-176.4	-53.7	-82	0	0	0	112.9	M627 F664 G665 D669 L711 L761	M627-Y667 HydrophobicContact CE-CE2 3.94Å; M627-Y667 WeakPolarHBondContact CE-OH 3.45Å; F664-Y667 CarbonylContact O-C 3.48Å; F664-Y667 WeakPolarHBondContact O-CA 3.44Å; F664-Y667 PolarHBondContact O-N 3.29Å; G665-Y667 PolarHBondContact O-N 2.68Å; Y667-D669 PolarHBondContact O-N 2.93Å; Y667-L711 HydrophobicContact CD1-CD2 4.28Å; Y667-L711 HydrophobicContact CE1-CD2 3.54Å; Y667-L761 WeakPolarHBondContact O-CD2 3.3Å
668	M	56.4	Low	72.1	Confident	25 Å²	25	63.9 Å²	63.9	12%	0.123	37%	0.366	C	S	.	.			trans	-99.8	60.8	-175.5	-68.2	-88.7	-77.7	0	0	110.7	F664 G670 F671 F674 M710	F664-M668 HydrophobicContact CB-CG 3.41Å; F664-M668 VanDerWaalsContact CB-CG 3.41Å; F664-M668 HydrophobicContact CB-SD 4.23Å; F664-M668 WeakPolarHBondContact O-CB 3.38Å; F664-M668 WeakPolarHBondContact O-CG 3.21Å; F664-M668 PolarHBondContact O-N 3.12Å; M668-G670 PolarHBondContact O-N 3.33Å; M668-F671 HydrophobicContact CE-CD2 3.77Å; M668-F671 HydrophobicContact CE-CE2 3.25Å; M668-F671 HydrophobicContact CE-CZ 3.81Å; M668-F671 HydrophobicContact SD-CE1 4.45Å; M668-F671 HydrophobicContact SD-CE2 3.83Å; M668-F671 HydrophobicContact SD-CZ 3.71Å; M668-F674 HydrophobicContact CE-CD2 3.49Å; M668-F674 VanDerWaalsContact CE-CD2 3.49Å; M668-F674 HydrophobicContact CE-CE1 4.3Å; M668-F674 HydrophobicContact CE-CE2 3.07Å; M668-F674 HydrophobicContact CE-CG 4.27Å; M668-F674 HydrophobicContact CE-CZ 3.55Å; M668-F674 HydrophobicContact SD-CD2 4.46Å; M668-F674 HydrophobicContact SD-CE1 4.16Å; M668-F674 HydrophobicContact SD-CE2 3.59Å; M668-F674 VanDerWaalsContact SD-CE2 3.59Å; M668-F674 HydrophobicContact SD-CZ 3.4Å; M668-F674 WeakPolarHBondContact SD-CZ 3.43Å; M668-M710 HydrophobicContact CG-CE 3.63Å; M668-M710 HydrophobicContact SD-CE 3.67Å
669	D	60	Low	72.4	Confident	72 Å²	72	63.9 Å²	63.9	39%	0.385	37%	0.366	S	S	.	.			trans	-85.2	109.8	164.4	-84.9	-10.7	0	0	0	107.6	Y667 K720 G721	Y667-D669 PolarHBondContact O-N 2.93Å; D669-K720 HydrophobicContact CB-CB 4.22Å; D669-G721 WeakPolarHBondContact O-CA 3.47Å
670	G	56.7	Low	72.6	Confident	70 Å²	70	65.9 Å²	65.9	72%	0.722	38%	0.38	S	S	*	.	S	Bend	trans	146.5	-29.6	172.5	0	0	0	0	0	117	M668	M668-G670 PolarHBondContact O-N 3.33Å
671	F	64.2	Low	73	Confident	34 Å²	34	63.4 Å²	63.4	15%	0.149	37%	0.368	C	S	.	.			trans	-150.9	149.2	175.4	57.1	-91.6	0	0	0	111.9	M668 E673 F674 L678 L761 E762 L765	M668-F671 HydrophobicContact CE-CD2 3.77Å; M668-F671 HydrophobicContact CE-CE2 3.25Å; M668-F671 HydrophobicContact CE-CZ 3.81Å; M668-F671 HydrophobicContact SD-CE1 4.45Å; M668-F671 HydrophobicContact SD-CE2 3.83Å; M668-F671 HydrophobicContact SD-CZ 3.71Å; F671-E673 WeakPolarHBondContact CD2-O 3.49Å; F671-F674 HydrophobicContact CE2-CB 4.45Å; F671-F674 AromaticContact CE2-CD1 3.94Å; F671-F674 HydrophobicContact CE2-CD1 3.94Å; F671-F674 HydrophobicContact CE2-CD2 4.29Å; F671-F674 HydrophobicContact CE2-CE1 4.23Å; F671-F674 AromaticContact CE2-CG 3.97Å; F671-F674 HydrophobicContact CE2-CG 3.97Å; F671-F674 HydrophobicContact CZ-CD1 4.16Å; F671-F674 HydrophobicContact CZ-CE1 4.13Å; F671-L678 HydrophobicContact CZ-CD2 4.23Å; F671-L761 HydrophobicContact CE1-CD2 4.26Å; F671-L761 HydrophobicContact CE1-CG 4.28Å; F671-E762 HydrophobicContact CD1-CB 4.02Å; F671-E762 HydrophobicContact CE1-CB 3.9Å; F671-L765 HydrophobicContact CZ-CD1 4.47Å
672	T	65.8	Low	73.8	Confident	141 Å²	141	57.3 Å²	57.3	87%	0.865	34%	0.339	S	S	*	.	S	Bend	trans	-83	-28.8	-173.1	51.3	0	0	0	0	114
673	E	77.5	Confident	74.7	Confident	133 Å²	133	56.3 Å²	56.3	62%	0.621	33%	0.332	S	S	*	.	S	Bend	trans	-143.6	142.8	-177.4	-65.2	179.4	-179.9	0	0	108.9	D660 F671 P675	D660-E673 VanDerWaalsContact OD1-CA 3.26Å; D660-E673 WeakPolarHBondContact OD1-CA 3.4Å; F671-E673 WeakPolarHBondContact CD2-O 3.49Å; E673-P675 VanDerWaalsContact O-CD 3.24Å; E673-P675 WeakPolarHBondContact O-CD 3.29Å
674	F	84	Confident	76.1	Confident	11 Å²	11	50.3 Å²	50.3	5%	0.048	30%	0.302	C	S	.	.			trans	-63	118.3	177.6	-82.8	-93.4	0	0	0	111.1	L659 D660 F664 M668 F671 S676 L678 L706 L765	L659-F674 HydrophobicContact CB-CD2 3.39Å; L659-F674 HydrophobicContact CB-CE2 3.53Å; L659-F674 HydrophobicContact CB-CG 3.92Å; L659-F674 HydrophobicContact CB-CZ 4.18Å; L659-F674 HydrophobicContact CD1-CD1 3.87Å; L659-F674 HydrophobicContact CD1-CD2 4.25Å; L659-F674 HydrophobicContact CD1-CE1 4.02Å; L659-F674 HydrophobicContact CD1-CE2 4.36Å; L659-F674 HydrophobicContact CD1-CG 3.99Å; L659-F674 HydrophobicContact CD1-CZ 4.25Å; L659-F674 HydrophobicContact CG-CD2 4.45Å; L659-F674 HydrophobicContact CG-CE2 4.45Å; D660-F674 PolarHBondContact OD1-N 2.85Å; F664-F674 HydrophobicContact CD2-CE2 4.13Å; F664-F674 HydrophobicContact CD2-CZ 4.39Å; F664-F674 HydrophobicContact CG-CE2 4.47Å; F664-F674 HydrophobicContact CG-CZ 4.48Å; M668-F674 HydrophobicContact CE-CD2 3.49Å; M668-F674 VanDerWaalsContact CE-CD2 3.49Å; M668-F674 HydrophobicContact CE-CE1 4.3Å; M668-F674 HydrophobicContact CE-CE2 3.07Å; M668-F674 HydrophobicContact CE-CG 4.27Å; M668-F674 HydrophobicContact CE-CZ 3.55Å; M668-F674 HydrophobicContact SD-CD2 4.46Å; M668-F674 HydrophobicContact SD-CE1 4.16Å; M668-F674 HydrophobicContact SD-CE2 3.59Å; M668-F674 VanDerWaalsContact SD-CE2 3.59Å; M668-F674 HydrophobicContact SD-CZ 3.4Å; M668-F674 WeakPolarHBondContact SD-CZ 3.43Å; F671-F674 HydrophobicContact CE2-CB 4.45Å; F671-F674 AromaticContact CE2-CD1 3.94Å; F671-F674 HydrophobicContact CE2-CD1 3.94Å; F671-F674 HydrophobicContact CE2-CD2 4.29Å; F671-F674 HydrophobicContact CE2-CE1 4.23Å; F671-F674 AromaticContact CE2-CG 3.97Å; F671-F674 HydrophobicContact CE2-CG 3.97Å; F671-F674 HydrophobicContact CZ-CD1 4.16Å; F671-F674 HydrophobicContact CZ-CE1 4.13Å; F674-S676 PolarHBondContact O-N 2.93Å; F674-L678 HydrophobicContact CD1-CD2 3.94Å; F674-L678 HydrophobicContact CE1-CD2 4.38Å; F674-L706 HydrophobicContact CE1-CD2 4.39Å; F674-L706 HydrophobicContact CZ-CD2 4.38Å; F674-L765 HydrophobicContact CE1-CD1 4.34Å
675	P	86.9	Confident	77.3	Confident	29 Å²	29	49.9 Å²	49.9	19%	0.188	30%	0.3	C	S	.	.			trans	-59.6	139.6	178.8	-26.8	37.3	0	0	0	112.3	E673 N677 L678 C679 E762	E673-P675 VanDerWaalsContact O-CD 3.24Å; E673-P675 WeakPolarHBondContact O-CD 3.29Å; P675-N677 VanDerWaalsContact C-N 3.26Å; P675-N677 WeakPolarHBondContact CB-OD1 3.21Å; P675-N677 PolarHBondContact O-N 3.45Å; P675-L678 HydrophobicContact CB-CB 4.25Å; P675-L678 WeakPolarHBondContact O-CA 3.36Å; P675-L678 WeakPolarHBondContact O-CB 3.49Å; P675-L678 PolarHBondContact O-N 3.13Å; P675-C679 PolarHBondContact O-N 2.86Å; P675-E762 HydrophobicContact CG-CG 4.26Å
676	S	87.4	Confident	78.8	Confident	80 Å²	80	47.4 Å²	47.4	56%	0.559	27%	0.274	S	S	*	.	H	α-helix	trans	-59.2	-35.2	-177.2	-179.7	0	0	0	0	113.5	F674 S680	F674-S676 PolarHBondContact O-N 2.93Å; S676-S680 PolarHBondContact O-N 3.28Å; S676-S680 PolarHBondContact O-OG 3.2Å
677	N	89.7	Confident	80	Confident	88 Å²	88	40 Å²	40	47%	0.471	24%	0.24	S	C	.	.	H	α-helix	trans	-64	-43.7	172.3	56.6	-37.2	0	0	0	111.7	P675 S680 S681 H766	P675-N677 VanDerWaalsContact C-N 3.26Å; P675-N677 WeakPolarHBondContact CB-OD1 3.21Å; P675-N677 PolarHBondContact O-N 3.45Å; N677-S680 WeakPolarHBondContact O-CB 3.07Å; N677-S680 PolarHBondContact O-N 3.09Å; N677-S681 PolarHBondContact O-N 3.47Å; N677-H766 PolarHBondContact ND2-NE2 3.04Å
678	L	91	Very high	80.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-47.5	175.9	177.9	58.3	0	0	0	111.1	F671 F674 P675 S680 S681 L682 E762 L765 H766	F671-L678 HydrophobicContact CZ-CD2 4.23Å; F674-L678 HydrophobicContact CD1-CD2 3.94Å; F674-L678 HydrophobicContact CE1-CD2 4.38Å; P675-L678 HydrophobicContact CB-CB 4.25Å; P675-L678 WeakPolarHBondContact O-CA 3.36Å; P675-L678 WeakPolarHBondContact O-CB 3.49Å; P675-L678 PolarHBondContact O-N 3.13Å; L678-S680 PolarHBondContact O-N 2.68Å; L678-S681 PolarHBondContact O-N 2.98Å; L678-S681 VanDerWaalsContact O-N 3.14Å; L678-L682 HydrophobicContact CD1-CD1 4.34Å; L678-L682 HydrophobicContact CD1-CG 4.12Å; L678-L682 HydrophobicContact CG-CD1 4.04Å; L678-L682 HydrophobicContact CG-CG 4.31Å; L678-L682 WeakPolarHBondContact O-CB 3.25Å; L678-L682 VanDerWaalsContact O-CG 3.29Å; L678-L682 WeakPolarHBondContact O-CG 3.29Å; L678-L682 PolarHBondContact O-N 2.99Å; L678-E762 HydrophobicContact CD2-CG 4.4Å; L678-L765 HydrophobicContact CD1-CB 3.83Å; L678-L765 HydrophobicContact CD2-CB 4.15Å; L678-L765 HydrophobicContact CD2-CD1 4.11Å; L678-H766 WeakPolarHBondContact CA-CE1 3.39Å; L678-H766 WeakPolarHBondContact CA-NE2 3.4Å; L678-H766 HydrophobicContact CD1-CB 4.39Å; L678-H766 PolarHBondContact N-CE1 3.42Å; L678-H766 PolarHBondContact N-NE2 3.28Å
679	C	91.9	Very high	81.8	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.1	-34.9	175.2	-68.8	0	0	0	0	112.5	S652 L655 G656 P675 I683	S652-C679 VanDerWaalsContact O-CB 3.28Å; S652-C679 WeakPolarHBondContact O-CB 3.25Å; L655-C679 HydrophobicContact CD2-CB 4.43Å; G656-C679 WeakPolarHBondContact CA-SG 3.33Å; P675-C679 PolarHBondContact O-N 2.86Å; C679-I683 WeakPolarHBondContact O-CG1 3.46Å; C679-I683 PolarHBondContact O-N 2.85Å
680	S	90.3	Very high	82.6	Confident	44 Å²	44	37.2 Å²	37.2	31%	0.308	23%	0.23	S	C	.	.	H	α-helix	trans	-69.1	-46.4	176	-56.1	0	0	0	0	111.8	S652 S676 N677 L678 L682 I683 S684	S652-S680 VanDerWaalsContact CB-OG 3.31Å; S652-S680 WeakPolarHBondContact CB-OG 3.41Å; S652-S680 PolarHBondContact OG-OG 2.75Å; S676-S680 PolarHBondContact O-N 3.28Å; S676-S680 PolarHBondContact O-OG 3.2Å; N677-S680 WeakPolarHBondContact O-CB 3.07Å; N677-S680 PolarHBondContact O-N 3.09Å; L678-S680 PolarHBondContact O-N 2.68Å; S680-L682 VanDerWaalsContact C-N 3.33Å; S680-L682 PolarHBondContact O-N 3.43Å; S680-I683 PolarHBondContact O-N 3.41Å; S680-S684 PolarHBondContact O-N 3.34Å; S680-S684 PolarHBondContact O-OG 2.76Å
681	S	91	Very high	83.8	Confident	11 Å²	11	36.9 Å²	36.9	8%	0.077	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-39.6	174.4	-62.9	0	0	0	0	112.5	N677 L678 S684 S685 H766	N677-S681 PolarHBondContact O-N 3.47Å; L678-S681 PolarHBondContact O-N 2.98Å; L678-S681 VanDerWaalsContact O-N 3.14Å; S681-S684 PolarHBondContact O-N 3.45Å; S681-S685 PolarHBondContact O-N 3.43Å; S681-H766 PolarHBondContact OG-CE1 3.19Å; S681-H766 PolarHBondContact OG-ND1 3.06Å
682	L	92.8	Very high	84.7	Confident	0 Å²	0	37 Å²	37	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-46.5	176.5	-73.2	173.9	0	0	0	111.2	L655 L659 L678 S680 S684 S685 A686 L702 L706 W709 A769	L655-L682 HydrophobicContact CD2-CB 4.19Å; L659-L682 HydrophobicContact CD1-CD1 4.16Å; L678-L682 HydrophobicContact CD1-CD1 4.34Å; L678-L682 HydrophobicContact CD1-CG 4.12Å; L678-L682 HydrophobicContact CG-CD1 4.04Å; L678-L682 HydrophobicContact CG-CG 4.31Å; L678-L682 WeakPolarHBondContact O-CB 3.25Å; L678-L682 VanDerWaalsContact O-CG 3.29Å; L678-L682 WeakPolarHBondContact O-CG 3.29Å; L678-L682 PolarHBondContact O-N 2.99Å; S680-L682 VanDerWaalsContact C-N 3.33Å; S680-L682 PolarHBondContact O-N 3.43Å; L682-S684 PolarHBondContact O-N 2.84Å; L682-S685 PolarHBondContact O-N 3.44Å; L682-S685 PolarHBondContact O-OG 3.09Å; L682-A686 PolarHBondContact O-N 2.74Å; L682-L702 HydrophobicContact CB-CD1 4.05Å; L682-L702 HydrophobicContact CB-CD2 4.15Å; L682-L702 HydrophobicContact CD2-CD1 4.08Å; L682-L702 WeakPolarHBondContact O-CD1 3.42Å; L682-L706 HydrophobicContact CD2-CD1 4.35Å; L682-W709 HydrophobicContact CD2-CZ3 3.9Å; L682-A769 HydrophobicContact CD2-CB 4.24Å
683	I	91.2	Very high	85.8	Confident	2 Å²	2	33 Å²	33	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-47.3	173.8	-79.3	-175.4	0	0	0	111.6	L655 C679 S680 S685 A686 S687 G692 I694	L655-I683 HydrophobicContact CB-CD1 4.36Å; L655-I683 HydrophobicContact CD2-CD1 4.24Å; L655-I683 HydrophobicContact CD2-CG1 3.69Å; C679-I683 WeakPolarHBondContact O-CG1 3.46Å; C679-I683 PolarHBondContact O-N 2.85Å; S680-I683 PolarHBondContact O-N 3.41Å; I683-S685 PolarHBondContact O-N 3.12Å; I683-A686 PolarHBondContact O-N 3.48Å; I683-A686 VanDerWaalsContact O-N 3.14Å; I683-S687 VanDerWaalsContact O-CB 3.23Å; I683-S687 WeakPolarHBondContact O-CB 3.31Å; I683-S687 PolarHBondContact O-N 2.98Å; I683-G692 VanDerWaalsContact CG2-C 3.42Å; I683-I694 HydrophobicContact CG1-CD1 4.18Å; I683-I694 HydrophobicContact CG1-CG1 4.39Å; I683-I694 HydrophobicContact CG2-CG2 4.2Å
684	S	87.9	Confident	86.5	Confident	27 Å²	27	26.7 Å²	26.7	19%	0.189	17%	0.167	C	C	.	.	H	α-helix	trans	-59.1	-36.1	178.8	-67.4	0	0	0	0	112.2	S680 S681 L682 F773 S802	S680-S684 PolarHBondContact O-N 3.34Å; S680-S684 PolarHBondContact O-OG 2.76Å; S681-S684 PolarHBondContact O-N 3.45Å; L682-S684 PolarHBondContact O-N 2.84Å; S684-F773 VanDerWaalsContact O-CD2 3.31Å; S684-F773 WeakPolarHBondContact O-CD2 3.43Å; S684-S802 VanDerWaalsContact CB-O 3.25Å; S684-S802 WeakPolarHBondContact CB-O 3.29Å; S684-S802 PolarHBondContact OG-O 3.24Å
685	S	88.5	Confident	86.7	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-69.4	-30.6	177.9	79.8	0	0	0	0	114.2	S681 L682 I683 A769 K772	S681-S685 PolarHBondContact O-N 3.43Å; L682-S685 PolarHBondContact O-N 3.44Å; L682-S685 PolarHBondContact O-OG 3.09Å; I683-S685 PolarHBondContact O-N 3.12Å; S685-A769 WeakPolarHBondContact CB-O 3.43Å; S685-K772 WeakPolarHBondContact O-CE 3.47Å
686	A	86.8	Confident	86.7	Confident	5 Å²	5	27.7 Å²	27.7	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-89.8	-39.2	-178.4	0	0	0	0	0	112.5	K67 L682 I683 I694 L702	K67-A686 PolarHBondContact NZ-O 3.49Å; L682-A686 PolarHBondContact O-N 2.74Å; I683-A686 PolarHBondContact O-N 3.48Å; I683-A686 VanDerWaalsContact O-N 3.14Å; A686-I694 HydrophobicContact CB-CG2 4.16Å; A686-L702 HydrophobicContact CB-CB 3.83Å; A686-L702 HydrophobicContact CB-CD1 4.15Å; A686-L702 HydrophobicContact CB-CD2 4.25Å; A686-L702 HydrophobicContact CB-CG 4.3Å
687	S	82.6	Confident	86.5	Confident	7 Å²	7	25.6 Å²	25.6	5%	0.049	15%	0.153	C	C	.	.			trans	-59.1	134.7	-169.9	-173	0	0	0	0	113	I683 N689 Q693	I683-S687 VanDerWaalsContact O-CB 3.23Å; I683-S687 WeakPolarHBondContact O-CB 3.31Å; I683-S687 PolarHBondContact O-N 2.98Å; S687-N689 VanDerWaalsContact C-N 3.3Å; S687-N689 WeakPolarHBondContact CB-O 3.2Å; S687-N689 PolarHBondContact OG-N 2.63Å; S687-N689 PolarHBondContact OG-O 2.94Å; S687-N689 PolarHBondContact OG-OD1 2.86Å; S687-N689 VanDerWaalsContact OG-OD1 3.12Å; S687-Q693 PolarHBondContact OG-O 3.03Å
688	T	76.6	Confident	86.5	Confident	22 Å²	22	21.6 Å²	21.6	14%	0.135	13%	0.131	C	C	.	.	S	Bend	trans	-88.6	-3.9	173.8	61.9	0	0	0	0	112.5	T65 K67 G68 K71 E698	T65-T688 PolarHBondContact N-O 2.88Å; T65-T688 VanDerWaalsContact N-O 3.15Å; T65-T688 PolarHBondContact OG1-O 2.9Å; K67-T688 HydrophobicContact CG-CG2 4.46Å; G68-T688 VanDerWaalsContact CA-O 3.26Å; G68-T688 WeakPolarHBondContact CA-O 3.16Å; G68-T688 PolarHBondContact N-O 3.25Å; K71-T688 HydrophobicContact CD-CG2 3.61Å; T688-E698 WeakPolarHBondContact CB-OE1 3.41Å; T688-E698 HydrophobicContact CG2-CG 4.29Å; T688-E698 WeakPolarHBondContact CG2-OE1 3.45Å; T688-E698 PolarHBondContact N-OE1 3.01Å; T688-E698 PolarHBondContact OG1-OE1 2.89Å
689	N	75.3	Confident	86.4	Confident	20 Å²	20	21.6 Å²	21.6	11%	0.107	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-133.9	170.7	176.6	62	55.2	0	0	0	109.7	S63 K649 S687 T691	S63-N689 CarbonylContact O-C 3.57Å; S63-N689 VanDerWaalsContact O-CA 3.25Å; S63-N689 WeakPolarHBondContact O-CA 3.3Å; S63-N689 WeakPolarHBondContact O-CB 3.35Å; K649-N689 PolarHBondContact NZ-ND2 2.9Å; S687-N689 VanDerWaalsContact C-N 3.3Å; S687-N689 WeakPolarHBondContact CB-O 3.2Å; S687-N689 PolarHBondContact OG-N 2.63Å; S687-N689 PolarHBondContact OG-O 2.94Å; S687-N689 PolarHBondContact OG-OD1 2.86Å; S687-N689 VanDerWaalsContact OG-OD1 3.12Å; N689-T691 VanDerWaalsContact C-N 3.32Å; N689-T691 HydrophobicContact CB-CG2 4.33Å; N689-T691 PolarHBondContact O-N 3.1Å; N689-T691 WeakPolarHBondContact OD1-CB 3.42Å; N689-T691 WeakPolarHBondContact OD1-CG2 3.38Å; N689-T691 PolarHBondContact OD1-N 3.4Å; N689-T691 PolarHBondContact OD1-OG1 2.85Å
690	L	76.2	Confident	86.1	Confident	56 Å²	56	21.6 Å²	21.6	29%	0.293	13%	0.131	S	C	.	.	S	Bend	trans	-95	25.8	-178.4	-58.7	179	0	0	0	112	S63 T65 R798	S63-L690 PolarHBondContact O-N 2.96Å; T65-L690 HydrophobicContact CG2-CD2 3.55Å; T65-L690 HydrophobicContact CG2-CG 3.91Å; L690-R798 HydrophobicContact CD1-CB 4.19Å
691	T	81.4	Confident	85.9	Confident	63 Å²	63	21.9 Å²	21.9	39%	0.387	13%	0.126	S	C	.	.	S	Bend	trans	-86.3	-6.1	-174.4	72	0	0	0	0	114.1	N689 Q693	N689-T691 VanDerWaalsContact C-N 3.32Å; N689-T691 HydrophobicContact CB-CG2 4.33Å; N689-T691 PolarHBondContact O-N 3.1Å; N689-T691 WeakPolarHBondContact OD1-CB 3.42Å; N689-T691 WeakPolarHBondContact OD1-CG2 3.38Å; N689-T691 PolarHBondContact OD1-N 3.4Å; N689-T691 PolarHBondContact OD1-OG1 2.85Å; T691-Q693 PolarHBondContact O-N 3.47Å
692	G	84.5	Confident	85.9	Confident	36 Å²	36	21.4 Å²	21.4	37%	0.371	12%	0.123	S	C	.	.	S	Bend	trans	65.7	26.8	-173.7	0	0	0	0	0	113.1	I683	I683-G692 VanDerWaalsContact CG2-C 3.42Å
693	Q	89	Confident	85.6	Confident	59 Å²	59	21.5 Å²	21.5	28%	0.276	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147	179.7	-63	-179	-24	0	0	110	K649 I650 N651 S687 T691	K649-Q693 HydrophobicContact CB-CB 4.08Å; K649-Q693 HydrophobicContact CD-CB 4.1Å; I650-Q693 WeakPolarHBondContact O-CA 3.48Å; I650-Q693 WeakPolarHBondContact O-CB 3.34Å; N651-Q693 HydrophobicContact CB-CG 4.28Å; S687-Q693 PolarHBondContact OG-O 3.03Å; T691-Q693 PolarHBondContact O-N 3.47Å
694	I	90.7	Very high	85.4	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.5	179.1	58.7	179.5	0	0	0	112.1	K649 I650 I683 A686 E698 L702	K649-I694 VanDerWaalsContact CA-O 3.26Å; K649-I694 WeakPolarHBondContact CA-O 3.49Å; K649-I694 WeakPolarHBondContact CB-O 3.44Å; I650-I694 HydrophobicContact CD1-CD1 4.19Å; I650-I694 HydrophobicContact CD1-CG1 4.06Å; I650-I694 HydrophobicContact CG1-CD1 4.26Å; I650-I694 HydrophobicContact CG1-CG1 3.58Å; I650-I694 PolarHBondContact N-O 3.16Å; I650-I694 PolarHBondContact O-N 2.93Å; I683-I694 HydrophobicContact CG1-CD1 4.18Å; I683-I694 HydrophobicContact CG1-CG1 4.39Å; I683-I694 HydrophobicContact CG2-CG2 4.2Å; A686-I694 HydrophobicContact CB-CG2 4.16Å; I694-E698 WeakPolarHBondContact CA-OE2 3.31Å; I694-E698 HydrophobicContact CB-CB 3.77Å; I694-E698 HydrophobicContact CG2-CB 4.07Å; I694-L702 HydrophobicContact CD1-CD2 3.73Å
695	D	89.4	Confident	85.6	Confident	44 Å²	44	21.4 Å²	21.4	24%	0.235	12%	0.121	C	C	.	.			trans	-82.9	178.3	171.3	69.6	32.2	0	0	0	112.2	F639 K649 E697 E698 Y699	F639-D695 VanDerWaalsContact CZ-C 3.4Å; K649-D695 HydrophobicContact CG-CB 4.28Å; D695-E697 VanDerWaalsContact C-N 3.29Å; D695-E697 PolarHBondContact O-N 2.98Å; D695-E697 WeakPolarHBondContact OD1-CA 3.36Å; D695-E697 WeakPolarHBondContact OD1-CB 3.49Å; D695-E697 PolarHBondContact OD1-N 3.11Å; D695-E698 PolarHBondContact N-OE2 3.31Å; D695-E698 PolarHBondContact O-N 3.09Å; D695-E698 WeakPolarHBondContact OD1-CG 3.37Å; D695-E698 PolarHBondContact OD1-N 3.14Å; D695-Y699 VanDerWaalsContact O-CB 3.28Å; D695-Y699 WeakPolarHBondContact O-CB 3.41Å; D695-Y699 PolarHBondContact O-N 2.91Å
696	L	86.4	Confident	85.7	Confident	17 Å²	17	21.4 Å²	21.4	9%	0.089	12%	0.12	C	C	.	.	H	α-helix	trans	-62.1	-37.1	-178	179.2	59	0	0	0	112.2	M91 E636 F639 Y699 L700	M91-L696 HydrophobicContact CE-CB 4.39Å; M91-L696 HydrophobicContact CE-CD2 3.81Å; M91-L696 HydrophobicContact CE-CG 4.16Å; M91-L696 HydrophobicContact SD-CB 4.21Å; M91-L696 HydrophobicContact SD-CD2 3.31Å; M91-L696 WeakPolarHBondContact SD-CD2 3.49Å; M91-L696 HydrophobicContact SD-CG 3.43Å; M91-L696 WeakPolarHBondContact SD-CG 3.4Å; E636-L696 HydrophobicContact CG-CD1 4.34Å; E636-L696 HydrophobicContact CG-CD2 4.49Å; F639-L696 HydrophobicContact CB-CD1 3.64Å; F639-L696 HydrophobicContact CD1-CB 3.8Å; F639-L696 HydrophobicContact CD1-CD1 3.55Å; F639-L696 HydrophobicContact CD1-CG 4.14Å; F639-L696 HydrophobicContact CD2-CD1 4.08Å; F639-L696 HydrophobicContact CE1-CB 3.6Å; F639-L696 HydrophobicContact CE1-CD1 4.24Å; F639-L696 HydrophobicContact CE1-CG 4.44Å; F639-L696 HydrophobicContact CG-CB 4.39Å; F639-L696 HydrophobicContact CG-CD1 3.47Å; F639-L696 VanDerWaalsContact CG-CD1 3.47Å; F639-L696 HydrophobicContact CG-CG 4.48Å; F639-L696 HydrophobicContact CZ-CB 3.99Å; L696-Y699 HydrophobicContact CD1-CD1 4.11Å; L696-Y699 PolarHBondContact O-N 3.05Å; L696-L700 HydrophobicContact CD1-CD1 4.35Å; L696-L700 HydrophobicContact CD1-CG 4.28Å; L696-L700 HydrophobicContact CG-CD1 4.37Å; L696-L700 VanDerWaalsContact O-CG 3.28Å; L696-L700 WeakPolarHBondContact O-CG 3.41Å; L696-L700 PolarHBondContact O-N 3.09Å
697	E	84	Confident	85.8	Confident	35 Å²	35	21.7 Å²	21.7	16%	0.164	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-47.7	-179.4	-179.8	179.2	-170.5	0	0	110.1	K75 D695 Y699 L700 Y701	K75-E697 IonicContact NZ-OE2 3.62Å; K75-E697 PolarHBondContact NZ-OE2 3.05Å; D695-E697 VanDerWaalsContact C-N 3.29Å; D695-E697 PolarHBondContact O-N 2.98Å; D695-E697 WeakPolarHBondContact OD1-CA 3.36Å; D695-E697 WeakPolarHBondContact OD1-CB 3.49Å; D695-E697 PolarHBondContact OD1-N 3.11Å; E697-Y699 VanDerWaalsContact C-N 3.34Å; E697-Y699 PolarHBondContact O-N 2.9Å; E697-L700 PolarHBondContact O-N 3.26Å; E697-Y701 HydrophobicContact CG-CD2 4.09Å; E697-Y701 HydrophobicContact CG-CE2 3.5Å; E697-Y701 WeakPolarHBondContact O-CD2 3.31Å; E697-Y701 PolarHBondContact O-N 2.9Å; E697-Y701 VanDerWaalsContact O-N 3.16Å
698	E	88.3	Confident	86.1	Confident	4 Å²	4	21.3 Å²	21.3	2%	0.019	12%	0.118	C	C	.	.	H	α-helix	trans	-61.8	-39.1	175.1	-68.8	171.3	145.7	0	0	112.6	T688 I694 D695 Y701 L702	T688-E698 WeakPolarHBondContact CB-OE1 3.41Å; T688-E698 HydrophobicContact CG2-CG 4.29Å; T688-E698 WeakPolarHBondContact CG2-OE1 3.45Å; T688-E698 PolarHBondContact N-OE1 3.01Å; T688-E698 PolarHBondContact OG1-OE1 2.89Å; I694-E698 WeakPolarHBondContact CA-OE2 3.31Å; I694-E698 HydrophobicContact CB-CB 3.77Å; I694-E698 HydrophobicContact CG2-CB 4.07Å; D695-E698 PolarHBondContact N-OE2 3.31Å; D695-E698 PolarHBondContact O-N 3.09Å; D695-E698 WeakPolarHBondContact OD1-CG 3.37Å; D695-E698 PolarHBondContact OD1-N 3.14Å; E698-Y701 PolarHBondContact O-N 3.34Å; E698-L702 WeakPolarHBondContact O-CB 3.2Å; E698-L702 PolarHBondContact O-N 3.32Å
699	Y	89.3	Confident	86.9	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62	-46.2	174.6	165.7	-103.6	0	0	0	112.5	L635 F639 I650 L655 I658 D695 L696 E697 Y701 L702 L703	L635-Y699 HydrophobicContact CB-CE1 4.46Å; F639-Y699 HydrophobicContact CB-CD1 4.05Å; F639-Y699 HydrophobicContact CB-CE1 3.9Å; F639-Y699 AromaticContact CD2-CD1 3.51Å; F639-Y699 HydrophobicContact CD2-CD1 3.51Å; F639-Y699 HydrophobicContact CD2-CD2 4.07Å; F639-Y699 HydrophobicContact CD2-CE1 4.07Å; F639-Y699 AromaticContact CD2-CG 3.48Å; F639-Y699 HydrophobicContact CD2-CG 3.48Å; F639-Y699 VanDerWaalsContact CD2-CG 3.48Å; F639-Y699 HydrophobicContact CE2-CD1 4.31Å; F639-Y699 AromaticContact CE2-CG 3.94Å; F639-Y699 HydrophobicContact CE2-CG 3.94Å; F639-Y699 HydrophobicContact CG-CD1 4.09Å; F639-Y699 HydrophobicContact CG-CE1 4.42Å; F639-Y699 HydrophobicContact CG-CG 4.48Å; I650-Y699 HydrophobicContact CD1-CD2 3.71Å; I650-Y699 HydrophobicContact CD1-CE2 4.27Å; I650-Y699 HydrophobicContact CD1-CG 4.33Å; L655-Y699 HydrophobicContact CD1-CD2 4.13Å; L655-Y699 HydrophobicContact CD1-CE2 4.1Å; I658-Y699 HydrophobicContact CG2-CE2 4.11Å; I658-Y699 WeakPolarHBondContact CG2-OH 3.5Å; D695-Y699 VanDerWaalsContact O-CB 3.28Å; D695-Y699 WeakPolarHBondContact O-CB 3.41Å; D695-Y699 PolarHBondContact O-N 2.91Å; L696-Y699 HydrophobicContact CD1-CD1 4.11Å; L696-Y699 PolarHBondContact O-N 3.05Å; E697-Y699 VanDerWaalsContact C-N 3.34Å; E697-Y699 PolarHBondContact O-N 2.9Å; Y699-Y701 VanDerWaalsContact C-N 3.31Å; Y699-Y701 PolarHBondContact O-N 3.01Å; Y699-L702 WeakPolarHBondContact O-CB 3.36Å; Y699-L702 PolarHBondContact O-N 3.04Å; Y699-L703 HydrophobicContact CD1-CD1 4.29Å; Y699-L703 HydrophobicContact CD2-CG 4.35Å; Y699-L703 HydrophobicContact CE1-CD1 3.62Å; Y699-L703 HydrophobicContact CE1-CG 4.4Å; Y699-L703 HydrophobicContact CE2-CD1 3.89Å; Y699-L703 HydrophobicContact CE2-CD2 4.11Å; Y699-L703 HydrophobicContact CE2-CG 3.96Å; Y699-L703 WeakPolarHBondContact O-CG 3.32Å; Y699-L703 PolarHBondContact O-N 2.83Å; Y699-L703 WeakPolarHBondContact OH-CD1 3.19Å
700	L	86.3	Confident	87.6	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.6	-38.8	178.6	-69.1	174.2	0	0	0	111.5	M91 V95 L632 L635 E636 L696 E697 L703 I704	M91-L700 HydrophobicContact CG-CD1 4.17Å; M91-L700 HydrophobicContact SD-CD1 3.96Å; V95-L700 HydrophobicContact CG2-CB 4.15Å; V95-L700 HydrophobicContact CG2-CD1 3.92Å; L632-L700 HydrophobicContact CD1-CD1 4.18Å; L632-L700 HydrophobicContact CD1-CD2 3.85Å; L635-L700 HydrophobicContact CB-CD2 4.43Å; E636-L700 HydrophobicContact CG-CD1 4.28Å; L696-L700 HydrophobicContact CD1-CD1 4.35Å; L696-L700 HydrophobicContact CD1-CG 4.28Å; L696-L700 HydrophobicContact CG-CD1 4.37Å; L696-L700 VanDerWaalsContact O-CG 3.28Å; L696-L700 WeakPolarHBondContact O-CG 3.41Å; L696-L700 PolarHBondContact O-N 3.09Å; E697-L700 PolarHBondContact O-N 3.26Å; L700-L703 PolarHBondContact O-N 3.2Å; L700-I704 WeakPolarHBondContact O-CG1 3.33Å; L700-I704 PolarHBondContact O-N 2.94Å
701	Y	85	Confident	88.3	Confident	50 Å²	50	18 Å²	18	20%	0.196	10%	0.1	C	C	.	.	H	α-helix	trans	-64.2	-43.6	173.1	-70.3	-52.9	0	0	0	112.5	Q98 E697 E698 Y699 L703 I704 D705	Q98-Y701 HydrophobicContact CB-CE1 3.91Å; Q98-Y701 HydrophobicContact CG-CE1 3.85Å; E697-Y701 HydrophobicContact CG-CD2 4.09Å; E697-Y701 HydrophobicContact CG-CE2 3.5Å; E697-Y701 WeakPolarHBondContact O-CD2 3.31Å; E697-Y701 PolarHBondContact O-N 2.9Å; E697-Y701 VanDerWaalsContact O-N 3.16Å; E698-Y701 PolarHBondContact O-N 3.34Å; Y699-Y701 VanDerWaalsContact C-N 3.31Å; Y699-Y701 PolarHBondContact O-N 3.01Å; Y701-L703 VanDerWaalsContact C-N 3.27Å; Y701-L703 PolarHBondContact O-N 2.87Å; Y701-I704 HydrophobicContact CD1-CD1 4.48Å; Y701-I704 PolarHBondContact O-N 2.78Å; Y701-D705 PolarHBondContact O-N 2.82Å; Y701-D705 VanDerWaalsContact O-N 3.09Å
702	L	90.8	Very high	88.8	Confident	2 Å²	2	15 Å²	15	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-58.7	-40.1	176.9	178.6	58.3	0	0	0	112	L655 L682 A686 I694 E698 Y699 D705 L706	L655-L702 HydrophobicContact CD1-CD2 4.3Å; L655-L702 HydrophobicContact CD2-CD2 3.77Å; L682-L702 HydrophobicContact CB-CD1 4.05Å; L682-L702 HydrophobicContact CB-CD2 4.15Å; L682-L702 HydrophobicContact CD2-CD1 4.08Å; L682-L702 WeakPolarHBondContact O-CD1 3.42Å; A686-L702 HydrophobicContact CB-CB 3.83Å; A686-L702 HydrophobicContact CB-CD1 4.15Å; A686-L702 HydrophobicContact CB-CD2 4.25Å; A686-L702 HydrophobicContact CB-CG 4.3Å; I694-L702 HydrophobicContact CD1-CD2 3.73Å; E698-L702 WeakPolarHBondContact O-CB 3.2Å; E698-L702 PolarHBondContact O-N 3.32Å; Y699-L702 WeakPolarHBondContact O-CB 3.36Å; Y699-L702 PolarHBondContact O-N 3.04Å; L702-D705 PolarHBondContact O-N 3.37Å; L702-L706 VanDerWaalsContact O-CB 3.24Å; L702-L706 WeakPolarHBondContact O-CB 3.28Å; L702-L706 PolarHBondContact O-N 3.23Å
703	L	88.4	Confident	89.2	Confident	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-66.9	-36.1	178.2	-71.7	-176.3	0	0	0	113.2	L635 L659 F664 Y699 L700 Y701 K707	L635-L703 HydrophobicContact CB-CD1 4.27Å; L635-L703 HydrophobicContact CD1-CD1 3.8Å; L635-L703 HydrophobicContact CD2-CD1 3.76Å; L635-L703 HydrophobicContact CG-CD1 4.14Å; L659-L703 HydrophobicContact CD2-CD2 3.76Å; F664-L703 HydrophobicContact CZ-CD2 4.16Å; Y699-L703 HydrophobicContact CD1-CD1 4.29Å; Y699-L703 HydrophobicContact CD2-CG 4.35Å; Y699-L703 HydrophobicContact CE1-CD1 3.62Å; Y699-L703 HydrophobicContact CE1-CG 4.4Å; Y699-L703 HydrophobicContact CE2-CD1 3.89Å; Y699-L703 HydrophobicContact CE2-CD2 4.11Å; Y699-L703 HydrophobicContact CE2-CG 3.96Å; Y699-L703 WeakPolarHBondContact O-CG 3.32Å; Y699-L703 PolarHBondContact O-N 2.83Å; Y699-L703 WeakPolarHBondContact OH-CD1 3.19Å; L700-L703 PolarHBondContact O-N 3.2Å; Y701-L703 VanDerWaalsContact C-N 3.27Å; Y701-L703 PolarHBondContact O-N 2.87Å; L703-K707 WeakPolarHBondContact O-CB 3.41Å; L703-K707 WeakPolarHBondContact O-CG 3.31Å; L703-K707 PolarHBondContact O-N 2.82Å
704	I	86.9	Confident	89.3	Confident	14 Å²	14	15 Å²	15	7%	0.072	8%	0.075	C	C	.	.	H	α-helix	trans	-62.5	-49.4	174.6	-67.3	163.8	0	0	0	109.6	V95 I99 M628 L700 Y701 G708	V95-I704 HydrophobicContact CG1-CD1 3.75Å; I99-I704 HydrophobicContact CD1-CD1 3.86Å; I99-I704 HydrophobicContact CG1-CD1 3.88Å; M628-I704 HydrophobicContact CE-CG1 4.48Å; M628-I704 HydrophobicContact CG-CG1 3.92Å; M628-I704 HydrophobicContact SD-CG1 3.91Å; L700-I704 WeakPolarHBondContact O-CG1 3.33Å; L700-I704 PolarHBondContact O-N 2.94Å; Y701-I704 HydrophobicContact CD1-CD1 4.48Å; Y701-I704 PolarHBondContact O-N 2.78Å; I704-G708 PolarHBondContact O-N 3.18Å
705	D	90.8	Very high	89.3	Confident	14 Å²	14	20.5 Å²	20.5	8%	0.075	10%	0.098	C	C	.	.	H	α-helix	trans	-60.6	-49.1	178.6	-72.3	-24.1	0	0	0	111	Y701 L702 K707 G708 W709 K772	Y701-D705 PolarHBondContact O-N 2.82Å; Y701-D705 VanDerWaalsContact O-N 3.09Å; L702-D705 PolarHBondContact O-N 3.37Å; D705-K707 PolarHBondContact O-N 2.95Å; D705-G708 PolarHBondContact O-N 3.01Å; D705-G708 VanDerWaalsContact O-N 3.14Å; D705-W709 HydrophobicContact CB-CD2 4.47Å; D705-W709 HydrophobicContact CB-CH2 3.92Å; D705-W709 HydrophobicContact CB-CZ2 3.78Å; D705-W709 HydrophobicContact CB-CZ3 4.32Å; D705-W709 PolarHBondContact O-N 3.42Å; D705-K772 VanDerWaalsContact OD2-CD 3.28Å; D705-K772 WeakPolarHBondContact OD2-CD 3.47Å; D705-K772 WeakPolarHBondContact OD2-CE 3.41Å; D705-K772 IonicContact OD2-NZ 2.73Å
706	L	90.9	Very high	89.4	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.7	-50.6	179.7	179.3	60.6	0	0	0	111.8	L659 F664 F674 L682 L702 G708 W709 M710 L765	L659-L706 HydrophobicContact CD1-CD2 4.08Å; L659-L706 HydrophobicContact CD2-CD2 3.74Å; F664-L706 HydrophobicContact CE1-CD2 4.22Å; F664-L706 HydrophobicContact CE1-CG 4.42Å; F664-L706 HydrophobicContact CZ-CD2 3.93Å; F674-L706 HydrophobicContact CE1-CD2 4.39Å; F674-L706 HydrophobicContact CZ-CD2 4.38Å; L682-L706 HydrophobicContact CD2-CD1 4.35Å; L702-L706 VanDerWaalsContact O-CB 3.24Å; L702-L706 WeakPolarHBondContact O-CB 3.28Å; L702-L706 PolarHBondContact O-N 3.23Å; L706-G708 VanDerWaalsContact C-N 3.28Å; L706-G708 PolarHBondContact O-N 2.68Å; L706-W709 PolarHBondContact O-N 2.95Å; L706-M710 HydrophobicContact CD1-CG 4.35Å; L706-M710 HydrophobicContact CD1-SD 4.18Å; L706-M710 HydrophobicContact CG-SD 4.1Å; L706-M710 VanDerWaalsContact O-CG 3.25Å; L706-M710 WeakPolarHBondContact O-CG 3.48Å; L706-M710 PolarHBondContact O-N 2.91Å; L706-L765 HydrophobicContact CD1-CD1 3.96Å; L706-L765 HydrophobicContact CD1-CD2 3.73Å; L706-L765 HydrophobicContact CD1-CG 4.42Å
707	K	88.1	Confident	89.6	Confident	11 Å²	11	22.1 Å²	22.1	5%	0.048	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-38.6	176.3	-75	-175.1	176.5	-165.7	0	111.4	L624 M627 M628 E631 F664 L703 D705 M710 L711	L624-K707 HydrophobicContact CD2-CB 3.55Å; M627-K707 HydrophobicContact CE-CD 4.35Å; M628-K707 HydrophobicContact SD-CD 3.99Å; E631-K707 IonicContact OE1-NZ 3.4Å; E631-K707 PolarHBondContact OE1-NZ 2.75Å; E631-K707 VanDerWaalsContact OE1-NZ 3.12Å; E631-K707 IonicContact OE2-NZ 3.06Å; E631-K707 PolarHBondContact OE2-NZ 2.78Å; F664-K707 HydrophobicContact CE1-CG 3.79Å; F664-K707 HydrophobicContact CZ-CG 4.48Å; L703-K707 WeakPolarHBondContact O-CB 3.41Å; L703-K707 WeakPolarHBondContact O-CG 3.31Å; L703-K707 PolarHBondContact O-N 2.82Å; D705-K707 PolarHBondContact O-N 2.95Å; K707-M710 PolarHBondContact O-N 2.9Å; K707-L711 WeakPolarHBondContact O-CB 3.26Å; K707-L711 VanDerWaalsContact O-CG 3.3Å; K707-L711 WeakPolarHBondContact O-CG 3.32Å; K707-L711 PolarHBondContact O-N 2.9Å
708	G	90.3	Very high	89.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.3	-44	178.3	0	0	0	0	0	112.1	L624 I704 D705 L706 T712	L624-G708 VanDerWaalsContact CD2-N 3.33Å; I704-G708 PolarHBondContact O-N 3.18Å; D705-G708 PolarHBondContact O-N 3.01Å; D705-G708 VanDerWaalsContact O-N 3.14Å; L706-G708 VanDerWaalsContact C-N 3.28Å; L706-G708 PolarHBondContact O-N 2.68Å; G708-T712 VanDerWaalsContact O-CB 3.29Å; G708-T712 WeakPolarHBondContact O-CB 3.36Å; G708-T712 PolarHBondContact O-N 3.24Å; G708-T712 PolarHBondContact O-OG1 2.85Å
709	W	93.2	Very high	89.2	Confident	0 Å²	0	32 Å²	32	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-44.2	174.8	-60.6	-31	0	0	0	111.8	F616 L682 D705 L706 T712 F713 Y764 L765 M768 K772	F616-W709 AromaticContact CE1-CD1 3.67Å; F616-W709 AromaticContact CZ-CD1 3.48Å; F616-W709 VanDerWaalsContact CZ-CD1 3.48Å; F616-W709 HydrophobicContact CZ-CG 4.35Å; F616-W709 AromaticContact CZ-NE1 3.6Å; L682-W709 HydrophobicContact CD2-CZ3 3.9Å; D705-W709 HydrophobicContact CB-CD2 4.47Å; D705-W709 HydrophobicContact CB-CH2 3.92Å; D705-W709 HydrophobicContact CB-CZ2 3.78Å; D705-W709 HydrophobicContact CB-CZ3 4.32Å; D705-W709 PolarHBondContact O-N 3.42Å; L706-W709 PolarHBondContact O-N 2.95Å; W709-T712 PolarHBondContact O-N 2.81Å; W709-F713 WeakPolarHBondContact O-CB 3.41Å; W709-F713 PolarHBondContact O-N 2.99Å; W709-Y764 HydrophobicContact CB-CE1 3.83Å; W709-Y764 VanDerWaalsContact O-CE1 3.3Å; W709-Y764 WeakPolarHBondContact O-CE1 3.34Å; W709-Y764 PolarHBondContact O-OH 2.86Å; W709-L765 HydrophobicContact CB-CD2 3.92Å; W709-L765 HydrophobicContact CE3-CD2 4.27Å; W709-M768 HydrophobicContact CB-CG 4.18Å; W709-M768 HydrophobicContact CD2-CB 3.42Å; W709-M768 VanDerWaalsContact CD2-CB 3.42Å; W709-M768 HydrophobicContact CD2-CG 3.86Å; W709-M768 HydrophobicContact CE3-CB 3.67Å; W709-M768 HydrophobicContact CE3-CG 4.44Å; W709-M768 HydrophobicContact CG-CB 3.85Å; W709-M768 HydrophobicContact CG-CG 3.69Å; W709-M768 HydrophobicContact CG-SD 4.43Å; W709-M768 HydrophobicContact CH2-CB 4.1Å; W709-M768 HydrophobicContact CZ2-CB 3.88Å; W709-M768 HydrophobicContact CZ3-CB 4Å; W709-K772 HydrophobicContact CH2-CB 4.29Å; W709-K772 HydrophobicContact CH2-CD 4.01Å; W709-K772 HydrophobicContact CZ2-CB 4.09Å; W709-K772 HydrophobicContact CZ2-CD 3.98Å
710	M	90.3	Very high	88.8	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.02	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-45.6	179.1	-68.6	177.5	83.4	0	0	112.7	F664 M668 L706 K707 T712 F713 N714 L761 L765	F664-M710 HydrophobicContact CB-CE 4.14Å; F664-M710 HydrophobicContact CD1-CE 3.9Å; F664-M710 HydrophobicContact CD1-SD 3.47Å; F664-M710 WeakPolarHBondContact CD1-SD 3.48Å; F664-M710 HydrophobicContact CE1-SD 3.84Å; F664-M710 HydrophobicContact CG-CE 4.38Å; F664-M710 HydrophobicContact CG-SD 4.36Å; M668-M710 HydrophobicContact CG-CE 3.63Å; M668-M710 HydrophobicContact SD-CE 3.67Å; L706-M710 HydrophobicContact CD1-CG 4.35Å; L706-M710 HydrophobicContact CD1-SD 4.18Å; L706-M710 HydrophobicContact CG-SD 4.1Å; L706-M710 VanDerWaalsContact O-CG 3.25Å; L706-M710 WeakPolarHBondContact O-CG 3.48Å; L706-M710 PolarHBondContact O-N 2.91Å; K707-M710 PolarHBondContact O-N 2.9Å; M710-T712 PolarHBondContact O-N 3.48Å; M710-F713 PolarHBondContact O-N 2.74Å; M710-N714 WeakPolarHBondContact O-CB 3.42Å; M710-N714 PolarHBondContact O-N 2.9Å; M710-L761 HydrophobicContact CE-CD2 4.43Å; M710-L765 HydrophobicContact CG-CD2 4.22Å
711	L	89.6	Confident	88.8	Confident	25 Å²	25	39.9 Å²	39.9	13%	0.131	18%	0.179	C	C	.	.	H	α-helix	trans	-58.2	-39.3	173.6	-75.9	176.1	0	0	0	111.5	A623 L624 M627 Y667 K707 K715	A623-L711 HydrophobicContact CB-CD1 4.25Å; L624-L711 HydrophobicContact CD2-CD1 3.65Å; L624-L711 HydrophobicContact CG-CD1 3.93Å; M627-L711 HydrophobicContact SD-CD1 3.82Å; M627-L711 HydrophobicContact SD-CD2 4.1Å; M627-L711 HydrophobicContact SD-CG 4.35Å; Y667-L711 HydrophobicContact CD1-CD2 4.28Å; Y667-L711 HydrophobicContact CE1-CD2 3.54Å; K707-L711 WeakPolarHBondContact O-CB 3.26Å; K707-L711 VanDerWaalsContact O-CG 3.3Å; K707-L711 WeakPolarHBondContact O-CG 3.32Å; K707-L711 PolarHBondContact O-N 2.9Å; L711-K715 WeakPolarHBondContact O-CG 3.42Å
712	T	92.7	Very high	89	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.8	-45.3	178.5	-59.1	0	0	0	0	111.1	G708 W709 M710 N714 K715 Y716 L731 S734 S735	G708-T712 VanDerWaalsContact O-CB 3.29Å; G708-T712 WeakPolarHBondContact O-CB 3.36Å; G708-T712 PolarHBondContact O-N 3.24Å; G708-T712 PolarHBondContact O-OG1 2.85Å; W709-T712 PolarHBondContact O-N 2.81Å; M710-T712 PolarHBondContact O-N 3.48Å; T712-N714 VanDerWaalsContact C-N 3.33Å; T712-N714 PolarHBondContact O-N 3.13Å; T712-K715 WeakPolarHBondContact O-CB 3.44Å; T712-K715 PolarHBondContact O-N 3.5Å; T712-K715 VanDerWaalsContact O-N 3.15Å; T712-Y716 WeakPolarHBondContact O-CD2 3.43Å; T712-L731 HydrophobicContact CG2-CD1 3.87Å; T712-S734 VanDerWaalsContact CG2-CB 3.48Å; T712-S735 VanDerWaalsContact CG2-OG 3.29Å; T712-S735 WeakPolarHBondContact CG2-OG 3.42Å
713	F	93	Very high	89.2	Confident	6 Å²	6	39 Å²	39	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-56.5	-46.3	175.8	-172.2	-86.8	0	0	0	112	W709 M710 K715 Y716 D717 V723 L731 L761 Y764	W709-F713 WeakPolarHBondContact O-CB 3.41Å; W709-F713 PolarHBondContact O-N 2.99Å; M710-F713 PolarHBondContact O-N 2.74Å; F713-K715 PolarHBondContact O-N 2.92Å; F713-K715 VanDerWaalsContact O-N 3.14Å; F713-Y716 PolarHBondContact O-N 3.42Å; F713-D717 HydrophobicContact CD1-CB 4.47Å; F713-D717 HydrophobicContact CE1-CB 4.32Å; F713-D717 PolarHBondContact O-N 3.49Å; F713-D717 VanDerWaalsContact O-N 3.11Å; F713-V723 HydrophobicContact CD1-CG2 4.41Å; F713-V723 HydrophobicContact CD2-CG2 3.97Å; F713-V723 HydrophobicContact CE1-CG2 4.03Å; F713-V723 HydrophobicContact CE2-CB 4.32Å; F713-V723 HydrophobicContact CE2-CG2 3.57Å; F713-V723 HydrophobicContact CG-CG2 4.39Å; F713-V723 HydrophobicContact CZ-CB 4.45Å; F713-V723 HydrophobicContact CZ-CG2 3.61Å; F713-L731 HydrophobicContact CD2-CD2 4Å; F713-L731 HydrophobicContact CE2-CD2 4.45Å; F713-L761 HydrophobicContact CB-CD1 4.01Å; F713-L761 HydrophobicContact CD1-CB 4.34Å; F713-L761 HydrophobicContact CD1-CD1 3.73Å; F713-L761 HydrophobicContact CD2-CD1 4.08Å; F713-L761 HydrophobicContact CE1-CB 3.92Å; F713-L761 HydrophobicContact CE1-CD1 4.2Å; F713-L761 HydrophobicContact CE2-CB 4.39Å; F713-L761 HydrophobicContact CE2-CD1 4.49Å; F713-L761 HydrophobicContact CG-CD1 3.66Å; F713-L761 HydrophobicContact CZ-CB 3.94Å; F713-Y764 HydrophobicContact CB-CD1 4.02Å; F713-Y764 HydrophobicContact CB-CE1 3.76Å; F713-Y764 AromaticContact CD2-CD1 3.4Å; F713-Y764 HydrophobicContact CD2-CD1 3.4Å; F713-Y764 VanDerWaalsContact CD2-CD1 3.4Å; F713-Y764 HydrophobicContact CD2-CD2 4.31Å; F713-Y764 AromaticContact CD2-CE1 3.95Å; F713-Y764 HydrophobicContact CD2-CE1 3.95Å; F713-Y764 AromaticContact CD2-CG 3.58Å; F713-Y764 HydrophobicContact CD2-CG 3.58Å; F713-Y764 HydrophobicContact CE2-CD1 4.23Å; F713-Y764 HydrophobicContact CE2-CG 4.09Å; F713-Y764 HydrophobicContact CG-CD1 4.07Å; F713-Y764 HydrophobicContact CG-CE1 4.3Å
714	N	90.3	Very high	89.5	Confident	89 Å²	89	39.6 Å²	39.6	48%	0.476	18%	0.184	S	C	.	.	H	α-helix	trans	-60.7	-25.3	-179.4	-169	56.6	0	0	0	113.5	M710 T712 Y716	M710-N714 WeakPolarHBondContact O-CB 3.42Å; M710-N714 PolarHBondContact O-N 2.9Å; T712-N714 VanDerWaalsContact C-N 3.33Å; T712-N714 PolarHBondContact O-N 3.13Å; N714-Y716 VanDerWaalsContact C-N 3.25Å; N714-Y716 PolarHBondContact O-N 2.73Å
715	K	90.8	Very high	89.9	Confident	114 Å²	114	39.6 Å²	39.6	50%	0.496	18%	0.183	S	C	.	.	H	α-helix	trans	-69.1	-23.9	174.3	-67.5	172.1	-177	178.9	0	113.1	T620 L711 T712 F713	T620-K715 PolarHBondContact OG1-NZ 2.96Å; L711-K715 WeakPolarHBondContact O-CG 3.42Å; T712-K715 WeakPolarHBondContact O-CB 3.44Å; T712-K715 PolarHBondContact O-N 3.5Å; T712-K715 VanDerWaalsContact O-N 3.15Å; F713-K715 PolarHBondContact O-N 2.92Å; F713-K715 VanDerWaalsContact O-N 3.14Å
716	Y	92.1	Very high	90.1	Very high	54 Å²	54	40.4 Å²	40.4	21%	0.212	19%	0.186	C	C	.	.	H	α-helix	trans	-111.2	-3.5	-175.2	-69.9	-92.3	0	0	0	113.3	T712 F713 N714 D718 K727 D730 L731 S734	T712-Y716 WeakPolarHBondContact O-CD2 3.43Å; F713-Y716 PolarHBondContact O-N 3.42Å; N714-Y716 VanDerWaalsContact C-N 3.25Å; N714-Y716 PolarHBondContact O-N 2.73Å; Y716-D718 PolarHBondContact O-N 3.16Å; Y716-K727 HydrophobicContact CD1-CB 4.26Å; Y716-D730 HydrophobicContact CE1-CB 3.81Å; Y716-D730 PolarHBondContact OH-O 2.99Å; Y716-L731 HydrophobicContact CD2-CB 4.4Å; Y716-L731 HydrophobicContact CD2-CD1 3.67Å; Y716-L731 HydrophobicContact CE2-CD1 4.34Å; Y716-L731 HydrophobicContact CG-CB 4.39Å; Y716-L731 HydrophobicContact CG-CD1 4.16Å; Y716-S734 PolarHBondContact OH-OG 2.75Å
717	D	90.1	Very high	90.3	Very high	41 Å²	41	43.1 Å²	43.1	22%	0.219	20%	0.198	C	C	.	.			trans	-64.4	122.3	-174.1	-173	21.8	0	0	0	112	F713 R719 K720 G721 C722	F713-D717 HydrophobicContact CD1-CB 4.47Å; F713-D717 HydrophobicContact CE1-CB 4.32Å; F713-D717 PolarHBondContact O-N 3.49Å; F713-D717 VanDerWaalsContact O-N 3.11Å; D717-R719 PolarHBondContact OD1-N 3.18Å; D717-K720 PolarHBondContact OD1-N 3.45Å; D717-K720 WeakPolarHBondContact OD2-CA 3.44Å; D717-K720 PolarHBondContact OD2-N 2.95Å; D717-G721 VanDerWaalsContact CG-N 3.25Å; D717-G721 PolarHBondContact OD1-N 3.4Å; D717-G721 PolarHBondContact OD2-N 3.03Å; D717-C722 PolarHBondContact OD1-N 3.48Å
718	D	87	Confident	90.6	Very high	60 Å²	60	42.6 Å²	42.6	32%	0.321	20%	0.196	S	C	.	.	S	Bend	trans	-94.1	-35.7	-176.3	-69.1	-46.2	0	0	0	112.3	Y716 C722 S724 K727	Y716-D718 PolarHBondContact O-N 3.16Å; D718-C722 PolarHBondContact N-O 3.26Å; D718-S724 WeakPolarHBondContact OD2-CB 3.31Å; D718-S724 PolarHBondContact OD2-N 2.73Å; D718-S724 PolarHBondContact OD2-OG 2.71Å; D718-K727 IonicContact OD1-NZ 2.75Å; D718-K727 PolarHBondContact OD1-NZ 2.9Å; D718-K727 IonicContact OD2-NZ 3.77Å
719	R	78.3	Confident	90.8	Very high	187 Å²	187	43.5 Å²	43.5	71%	0.706	20%	0.199	S	C	*	.	S	Bend	trans	-147.6	57.9	-169	-66.9	-174	179.6	-179	1.8	112	D717 C722	D717-R719 PolarHBondContact OD1-N 3.18Å; R719-C722 HydrophobicContact CB-CB 4.49Å; R719-C722 PolarHBondContact N-O 3.12Å
720	K	79.5	Confident	90.8	Very high	161 Å²	161	45.9 Å²	45.9	70%	0.7	21%	0.212	S	C	*	.	S	Bend	trans	47.8	80.7	174.9	-67.6	-165.3	172.6	-157.5	0	112.7	D669 D717	D669-K720 HydrophobicContact CB-CB 4.22Å; D717-K720 PolarHBondContact OD1-N 3.45Å; D717-K720 WeakPolarHBondContact OD2-CA 3.44Å; D717-K720 PolarHBondContact OD2-N 2.95Å
721	G	85.9	Confident	91.1	Very high	5 Å²	5	45.7 Å²	45.7	5%	0.052	21%	0.211	C	C	.	.	S	Bend	trans	94.2	13.9	179	0	0	0	0	0	115.1	D669 D717 S760 L761	D669-G721 WeakPolarHBondContact O-CA 3.47Å; D717-G721 VanDerWaalsContact CG-N 3.25Å; D717-G721 PolarHBondContact OD1-N 3.4Å; D717-G721 PolarHBondContact OD2-N 3.03Å; G721-S760 WeakPolarHBondContact O-CA 3.14Å; G721-L761 PolarHBondContact O-N 2.93Å; G721-L761 VanDerWaalsContact O-N 3.12Å
722	C	90.8	Very high	91.4	Very high	33 Å²	33	44.5 Å²	44.5	22%	0.223	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	124.2	-175.8	-75.5	0	0	0	0	111.4	D717 D718 R719 H758 I759	D717-C722 PolarHBondContact OD1-N 3.48Å; D718-C722 PolarHBondContact N-O 3.26Å; R719-C722 HydrophobicContact CB-CB 4.49Å; R719-C722 PolarHBondContact N-O 3.12Å; C722-H758 HydrophobicContact CB-CB 4.28Å; C722-I759 WeakPolarHBondContact CA-O 3.15Å
723	V	94.3	Very high	91.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.8	174.2	176.7	0	0	0	0	109.4	F713 K727 L731 H758 I759	F713-V723 HydrophobicContact CD1-CG2 4.41Å; F713-V723 HydrophobicContact CD2-CG2 3.97Å; F713-V723 HydrophobicContact CE1-CG2 4.03Å; F713-V723 HydrophobicContact CE2-CB 4.32Å; F713-V723 HydrophobicContact CE2-CG2 3.57Å; F713-V723 HydrophobicContact CG-CG2 4.39Å; F713-V723 HydrophobicContact CZ-CB 4.45Å; F713-V723 HydrophobicContact CZ-CG2 3.61Å; V723-K727 HydrophobicContact CG1-CB 3.74Å; V723-L731 HydrophobicContact CB-CD2 4.47Å; V723-L731 HydrophobicContact CG1-CD2 4.34Å; V723-L731 HydrophobicContact CG2-CD2 4.28Å; V723-H758 CarbonylContact O-C 3.5Å; V723-H758 VanDerWaalsContact O-CA 3.27Å; V723-H758 WeakPolarHBondContact O-CA 3.44Å; V723-I759 HydrophobicContact CB-CG2 3.74Å; V723-I759 HydrophobicContact CG1-CG2 4.35Å; V723-I759 PolarHBondContact N-O 2.85Å; V723-I759 PolarHBondContact O-N 2.69Å
724	S	95.1	Very high	91.5	Very high	13 Å²	13	48.7 Å²	48.7	9%	0.091	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	143	176.8	-59.4	0	0	0	0	111.9	D718 F726 K727	D718-S724 WeakPolarHBondContact OD2-CB 3.31Å; D718-S724 PolarHBondContact OD2-N 2.73Å; D718-S724 PolarHBondContact OD2-OG 2.71Å; S724-F726 VanDerWaalsContact CB-CE1 3.41Å; S724-F726 VanDerWaalsContact CB-CZ 3.49Å; S724-F726 PolarHBondContact O-N 2.85Å; S724-F726 VanDerWaalsContact O-N 3.1Å; S724-K727 PolarHBondContact O-N 3.32Å
725	W	95.2	Very high	91.8	Very high	14 Å²	14	44.5 Å²	44.5	5%	0.053	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-53.1	-37.2	-174.4	68.6	-96	0	0	0	113.9	N473 T488 N587 K727 F728 I752 G757	N473-W725 VanDerWaalsContact C-CE3 3.4Å; N473-W725 HydrophobicContact CB-CB 4.06Å; N473-W725 HydrophobicContact CB-CD2 4.36Å; N473-W725 HydrophobicContact CB-CG 4.07Å; T488-W725 HydrophobicContact CG2-CH2 4.5Å; T488-W725 HydrophobicContact CG2-CZ3 4.03Å; T488-W725 WeakPolarHBondContact OG1-CH2 3.3Å; N587-W725 PolarHBondContact ND2-NE1 2.91Å; N587-W725 WeakPolarHBondContact OD1-CZ2 3.48Å; W725-K727 PolarHBondContact O-N 3.44Å; W725-F728 WeakPolarHBondContact O-CB 3.48Å; W725-F728 PolarHBondContact O-N 3.07Å; W725-F728 VanDerWaalsContact O-N 3.11Å; W725-I752 HydrophobicContact CB-CD1 3.92Å; W725-I752 HydrophobicContact CB-CG2 3.94Å; W725-G757 WeakPolarHBondContact CB-O 3.31Å; W725-G757 PolarHBondContact N-O 3.24Å
726	F	94.3	Very high	91.9	Very high	32 Å²	32	39.2 Å²	39.2	14%	0.14	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-71	-18	-177.3	53.3	-98.3	0	0	0	113.5	E484 T488 S724	E484-F726 HydrophobicContact CB-CD2 4.06Å; E484-F726 HydrophobicContact CB-CE2 3.66Å; E484-F726 HydrophobicContact CB-CZ 4.08Å; T488-F726 HydrophobicContact CG2-CB 3.86Å; S724-F726 VanDerWaalsContact CB-CE1 3.41Å; S724-F726 VanDerWaalsContact CB-CZ 3.49Å; S724-F726 PolarHBondContact O-N 2.85Å; S724-F726 VanDerWaalsContact O-N 3.1Å
727	K	94.9	Very high	92	Very high	56 Å²	56	36.9 Å²	36.9	24%	0.243	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-88.1	-9	173.8	-62.4	-178.3	-179.9	-178.1	0	113	Y716 D718 V723 S724 W725 R729 D730 L731	Y716-K727 HydrophobicContact CD1-CB 4.26Å; D718-K727 IonicContact OD1-NZ 2.75Å; D718-K727 PolarHBondContact OD1-NZ 2.9Å; D718-K727 IonicContact OD2-NZ 3.77Å; V723-K727 HydrophobicContact CG1-CB 3.74Å; S724-K727 PolarHBondContact O-N 3.32Å; W725-K727 PolarHBondContact O-N 3.44Å; K727-R729 VanDerWaalsContact C-N 3.31Å; K727-R729 PolarHBondContact O-N 3.11Å; K727-D730 PolarHBondContact O-N 3.31Å; K727-D730 VanDerWaalsContact O-N 3.17Å; K727-L731 PolarHBondContact O-N 3.21Å
728	F	95.8	Very high	92.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-38.2	-171	-179.1	-139.2	0	0	0	112.7	W725 L731 L732 F744 L747 I752 I759	W725-F728 WeakPolarHBondContact O-CB 3.48Å; W725-F728 PolarHBondContact O-N 3.07Å; W725-F728 VanDerWaalsContact O-N 3.11Å; F728-L731 HydrophobicContact CD2-CD2 4.33Å; F728-L731 WeakPolarHBondContact O-CB 3.46Å; F728-L731 PolarHBondContact O-N 3.12Å; F728-L732 HydrophobicContact CD2-CD2 4.44Å; F728-L732 HydrophobicContact CD2-CG 4.26Å; F728-L732 HydrophobicContact CE1-CD1 4.33Å; F728-L732 HydrophobicContact CE2-CD1 4.4Å; F728-L732 HydrophobicContact CE2-CD2 3.7Å; F728-L732 HydrophobicContact CE2-CG 3.95Å; F728-L732 HydrophobicContact CZ-CD1 4.19Å; F728-L732 HydrophobicContact CZ-CD2 3.96Å; F728-L732 HydrophobicContact CZ-CG 4.22Å; F728-L732 WeakPolarHBondContact O-CG 3.35Å; F728-L732 PolarHBondContact O-N 2.86Å; F728-F744 HydrophobicContact CB-CE2 4.47Å; F728-F744 HydrophobicContact CB-CZ 4.41Å; F728-F744 AromaticContact CD1-CE2 3.65Å; F728-F744 HydrophobicContact CD1-CE2 3.65Å; F728-F744 AromaticContact CD1-CZ 3.88Å; F728-F744 HydrophobicContact CD1-CZ 3.88Å; F728-F744 HydrophobicContact CE1-CE2 4.24Å; F728-F744 HydrophobicContact CG-CE2 4.26Å; F728-L747 HydrophobicContact CE1-CB 3.94Å; F728-L747 HydrophobicContact CZ-CB 4.2Å; F728-I752 HydrophobicContact CB-CD1 4.41Å; F728-I752 HydrophobicContact CD1-CD1 3.82Å; F728-I752 HydrophobicContact CD1-CG1 4.25Å; F728-I752 HydrophobicContact CE1-CD1 4.48Å; F728-I752 HydrophobicContact CG-CD1 4.38Å; F728-I759 HydrophobicContact CD2-CD1 3.79Å; F728-I759 HydrophobicContact CD2-CG2 4.34Å; F728-I759 HydrophobicContact CE2-CD1 3.39Å; F728-I759 HydrophobicContact CZ-CD1 3.85Å
729	R	94.2	Very high	92.6	Very high	19 Å²	19	35.6 Å²	35.6	7%	0.072	16%	0.162	C	C	.	.	H	α-helix	trans	-65.5	-41.1	178.1	-167.7	171.9	-70.4	-158.7	4.7	112.3	K727 L731 L732 K733 N741 F744	K727-R729 VanDerWaalsContact C-N 3.31Å; K727-R729 PolarHBondContact O-N 3.11Å; R729-L731 VanDerWaalsContact C-N 3.31Å; R729-L732 WeakPolarHBondContact O-CB 3.21Å; R729-L732 PolarHBondContact O-N 3.48Å; R729-K733 WeakPolarHBondContact O-CG 3.3Å; R729-K733 PolarHBondContact O-N 2.88Å; R729-N741 PolarHBondContact NH1-OD1 3.38Å; R729-N741 PolarHBondContact NH2-OD1 3.08Å; R729-F744 HydrophobicContact CB-CD2 4.16Å; R729-F744 HydrophobicContact CB-CE2 3.5Å; R729-F744 VanDerWaalsContact CB-CE2 3.5Å; R729-F744 HydrophobicContact CB-CZ 3.87Å; R729-F744 HydrophobicContact CG-CD2 4.15Å; R729-F744 HydrophobicContact CG-CE2 4.01Å; R729-F744 VanDerWaalsContact NH2-CG 3.33Å
730	D	93.2	Very high	93.3	Very high	50 Å²	50	27.3 Å²	27.3	27%	0.267	13%	0.133	S	C	.	.	H	α-helix	trans	-70	-33.4	177.2	-62.8	-31.1	0	0	0	111.5	Y716 K727 K733 S734	Y716-D730 HydrophobicContact CE1-CB 3.81Å; Y716-D730 PolarHBondContact OH-O 2.99Å; K727-D730 PolarHBondContact O-N 3.31Å; K727-D730 VanDerWaalsContact O-N 3.17Å; D730-K733 PolarHBondContact O-N 2.92Å; D730-S734 WeakPolarHBondContact O-CB 3.19Å; D730-S734 PolarHBondContact O-N 2.94Å; D730-S734 PolarHBondContact O-OG 2.68Å
731	L	95.8	Very high	93.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.5	-45.4	170.4	178	64.6	0	0	0	111.4	T712 F713 Y716 V723 K727 F728 R729 K733 S734 S735 Y764	T712-L731 HydrophobicContact CG2-CD1 3.87Å; F713-L731 HydrophobicContact CD2-CD2 4Å; F713-L731 HydrophobicContact CE2-CD2 4.45Å; Y716-L731 HydrophobicContact CD2-CB 4.4Å; Y716-L731 HydrophobicContact CD2-CD1 3.67Å; Y716-L731 HydrophobicContact CE2-CD1 4.34Å; Y716-L731 HydrophobicContact CG-CB 4.39Å; Y716-L731 HydrophobicContact CG-CD1 4.16Å; V723-L731 HydrophobicContact CB-CD2 4.47Å; V723-L731 HydrophobicContact CG1-CD2 4.34Å; V723-L731 HydrophobicContact CG2-CD2 4.28Å; K727-L731 PolarHBondContact O-N 3.21Å; F728-L731 HydrophobicContact CD2-CD2 4.33Å; F728-L731 WeakPolarHBondContact O-CB 3.46Å; F728-L731 PolarHBondContact O-N 3.12Å; R729-L731 VanDerWaalsContact C-N 3.31Å; L731-K733 PolarHBondContact O-N 3.29Å; L731-S734 PolarHBondContact O-N 2.87Å; L731-S735 PolarHBondContact O-N 2.98Å; L731-S735 PolarHBondContact O-OG 2.85Å; L731-S735 VanDerWaalsContact O-OG 3.1Å; L731-Y764 HydrophobicContact CD1-CE2 4.08Å; L731-Y764 HydrophobicContact CD2-CD2 3.54Å; L731-Y764 HydrophobicContact CD2-CE2 3.62Å; L731-Y764 HydrophobicContact CD2-CG 4.22Å; L731-Y764 HydrophobicContact CG-CD2 4.09Å; L731-Y764 HydrophobicContact CG-CE2 3.62Å
732	L	96.2	Very high	94.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.3	-45.2	174.5	-65.6	178.7	0	0	0	111.8	F728 R729 S735 G736 Y737 V739 F744 L747 M768 L771	F728-L732 HydrophobicContact CD2-CD2 4.44Å; F728-L732 HydrophobicContact CD2-CG 4.26Å; F728-L732 HydrophobicContact CE1-CD1 4.33Å; F728-L732 HydrophobicContact CE2-CD1 4.4Å; F728-L732 HydrophobicContact CE2-CD2 3.7Å; F728-L732 HydrophobicContact CE2-CG 3.95Å; F728-L732 HydrophobicContact CZ-CD1 4.19Å; F728-L732 HydrophobicContact CZ-CD2 3.96Å; F728-L732 HydrophobicContact CZ-CG 4.22Å; F728-L732 WeakPolarHBondContact O-CG 3.35Å; F728-L732 PolarHBondContact O-N 2.86Å; R729-L732 WeakPolarHBondContact O-CB 3.21Å; R729-L732 PolarHBondContact O-N 3.48Å; L732-S735 CarbonylContact O-C 3.38Å; L732-S735 WeakPolarHBondContact O-CA 3.47Å; L732-S735 WeakPolarHBondContact O-CB 3.24Å; L732-S735 PolarHBondContact O-N 3.23Å; L732-S735 VanDerWaalsContact O-N 3.08Å; L732-G736 PolarHBondContact O-N 2.97Å; L732-Y737 CarbonylContact C-O 3.52Å; L732-Y737 VanDerWaalsContact C-O 3.25Å; L732-Y737 PolarHBondContact O-N 3.03Å; L732-V739 HydrophobicContact CD1-CG2 3.75Å; L732-F744 HydrophobicContact CD1-CD2 3.79Å; L732-F744 HydrophobicContact CD1-CE2 4Å; L732-L747 HydrophobicContact CD1-CD1 3.85Å; L732-M768 HydrophobicContact CD2-CE 3.21Å; L732-L771 HydrophobicContact CD2-CD1 3.88Å
733	K	93.7	Very high	94.4	Very high	70 Å²	70	32 Å²	32	30%	0.304	15%	0.148	S	C	.	.	H	α-helix	trans	-61.8	-44.2	178.1	-73.6	176.2	177.5	178.4	0	112.4	E609 R729 D730 L731 S735 G736 Y737 K738	E609-K733 WeakPolarHBondContact OE1-CE 3.22Å; E609-K733 IonicContact OE1-NZ 3.84Å; E609-K733 PolarHBondContact OE1-NZ 2.64Å; E609-K733 WeakPolarHBondContact OE2-CE 3.08Å; E609-K733 IonicContact OE2-NZ 2.89Å; R729-K733 WeakPolarHBondContact O-CG 3.3Å; R729-K733 PolarHBondContact O-N 2.88Å; D730-K733 PolarHBondContact O-N 2.92Å; L731-K733 PolarHBondContact O-N 3.29Å; K733-S735 PolarHBondContact O-N 2.84Å; K733-G736 WeakPolarHBondContact O-CA 3.33Å; K733-G736 PolarHBondContact O-N 2.79Å; K733-Y737 WeakPolarHBondContact CA-O 3.31Å; K733-Y737 PolarHBondContact N-O 2.87Å; K733-K738 HydrophobicContact CG-CG 4.49Å
734	S	94.4	Very high	94.5	Very high	25 Å²	25	32.3 Å²	32.3	18%	0.175	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-21.6	175.7	-78.8	0	0	0	0	113	P617 T712 Y716 D730 L731 G736	P617-S734 WeakPolarHBondContact CD-O 3.46Å; T712-S734 VanDerWaalsContact CG2-CB 3.48Å; Y716-S734 PolarHBondContact OH-OG 2.75Å; D730-S734 WeakPolarHBondContact O-CB 3.19Å; D730-S734 PolarHBondContact O-N 2.94Å; D730-S734 PolarHBondContact O-OG 2.68Å; L731-S734 PolarHBondContact O-N 2.87Å; S734-G736 VanDerWaalsContact C-N 3.25Å
735	S	95.4	Very high	94.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	2.5	170.2	-61.1	0	0	0	0	113.5	T712 L731 L732 K733 Y737 Y764	T712-S735 VanDerWaalsContact CG2-OG 3.29Å; T712-S735 WeakPolarHBondContact CG2-OG 3.42Å; L731-S735 PolarHBondContact O-N 2.98Å; L731-S735 PolarHBondContact O-OG 2.85Å; L731-S735 VanDerWaalsContact O-OG 3.1Å; L732-S735 CarbonylContact O-C 3.38Å; L732-S735 WeakPolarHBondContact O-CA 3.47Å; L732-S735 WeakPolarHBondContact O-CB 3.24Å; L732-S735 PolarHBondContact O-N 3.23Å; L732-S735 VanDerWaalsContact O-N 3.08Å; K733-S735 PolarHBondContact O-N 2.84Å; S735-Y737 WeakPolarHBondContact O-CD2 3.34Å; S735-Y764 PolarHBondContact OG-OH 2.88Å
736	G	93.3	Very high	94.5	Very high	4 Å²	4	36.8 Å²	36.8	4%	0.041	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	4.8	177.7	0	0	0	0	0	114.9	Y613 E614 G615 L732 K733 S734	Y613-G736 CarbonylContact C-O 3.55Å; Y613-G736 WeakPolarHBondContact CA-O 3.22Å; Y613-G736 WeakPolarHBondContact CD2-O 3.48Å; E614-G736 PolarHBondContact N-O 2.9Å; G615-G736 WeakPolarHBondContact O-CA 3.23Å; L732-G736 PolarHBondContact O-N 2.97Å; K733-G736 WeakPolarHBondContact O-CA 3.33Å; K733-G736 PolarHBondContact O-N 2.79Å; S734-G736 VanDerWaalsContact C-N 3.25Å
737	Y	95	Very high	94.6	Very high	4 Å²	4	36 Å²	36	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.8	-176.5	-62.6	-81	0	0	0	111.6	Y613 L732 K733 S735 M768 L771 K772 F775	Y613-Y737 AromaticContact CD2-CD1 3.61Å; Y613-Y737 HydrophobicContact CD2-CD1 3.61Å; Y613-Y737 HydrophobicContact CD2-CD2 4.31Å; Y613-Y737 AromaticContact CD2-CE1 3.34Å; Y613-Y737 HydrophobicContact CD2-CE1 3.34Å; Y613-Y737 HydrophobicContact CD2-CE2 4.08Å; Y613-Y737 HydrophobicContact CD2-CG 4.09Å; Y613-Y737 AromaticContact CD2-CZ 3.6Å; Y613-Y737 HydrophobicContact CE2-CD1 4.46Å; Y613-Y737 HydrophobicContact CE2-CD2 4.5Å; Y613-Y737 AromaticContact CE2-CE1 3.97Å; Y613-Y737 HydrophobicContact CE2-CE1 3.97Å; Y613-Y737 AromaticContact CE2-CE2 4Å; Y613-Y737 HydrophobicContact CE2-CE2 4Å; Y613-Y737 AromaticContact CE2-CZ 3.71Å; Y613-Y737 HydrophobicContact CG-CD1 4.23Å; Y613-Y737 AromaticContact CG-CE1 3.88Å; Y613-Y737 HydrophobicContact CG-CE1 3.88Å; L732-Y737 CarbonylContact C-O 3.52Å; L732-Y737 VanDerWaalsContact C-O 3.25Å; L732-Y737 PolarHBondContact O-N 3.03Å; K733-Y737 WeakPolarHBondContact CA-O 3.31Å; K733-Y737 PolarHBondContact N-O 2.87Å; S735-Y737 WeakPolarHBondContact O-CD2 3.34Å; Y737-M768 HydrophobicContact CD2-SD 4.06Å; Y737-M768 HydrophobicContact CE2-SD 3.97Å; Y737-L771 HydrophobicContact CE1-CB 4.3Å; Y737-L771 HydrophobicContact CG-CD1 4.39Å; Y737-K772 WeakPolarHBondContact OH-CA 3.41Å; Y737-K772 WeakPolarHBondContact OH-CB 3.37Å; Y737-F775 AromaticContact CD1-CD2 3.64Å; Y737-F775 HydrophobicContact CD1-CD2 3.64Å; Y737-F775 AromaticContact CD1-CE2 3.61Å; Y737-F775 HydrophobicContact CD1-CE2 3.61Å; Y737-F775 HydrophobicContact CD1-CG 4.36Å; Y737-F775 HydrophobicContact CD1-CZ 4.32Å; Y737-F775 HydrophobicContact CE1-CB 4.47Å; Y737-F775 AromaticContact CE1-CD2 3.68Å; Y737-F775 HydrophobicContact CE1-CD2 3.68Å; Y737-F775 HydrophobicContact CE1-CE2 4.17Å; Y737-F775 HydrophobicContact CE1-CG 4.2Å
738	K	94.1	Very high	94.6	Very high	72 Å²	72	33.5 Å²	33.5	31%	0.313	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.9	162.2	-67.8	178.4	-176.7	162	0	108.3	E610 N611 S612 E614 K733	E610-K738 CarbonylContact O-C 3.42Å; N611-K738 CarbonylContact C-O 3.51Å; N611-K738 VanDerWaalsContact CA-O 3.29Å; N611-K738 WeakPolarHBondContact CA-O 3.44Å; S612-K738 PolarHBondContact N-O 2.83Å; S612-K738 PolarHBondContact O-N 2.9Å; E614-K738 WeakPolarHBondContact OE1-CD 3.43Å; E614-K738 WeakPolarHBondContact OE1-CE 3.44Å; E614-K738 IonicContact OE1-NZ 3.67Å; E614-K738 PolarHBondContact OE1-NZ 2.96Å; E614-K738 WeakPolarHBondContact OE2-CE 3.48Å; E614-K738 IonicContact OE2-NZ 3.99Å; E614-K738 PolarHBondContact OE2-NZ 2.89Å; K733-K738 HydrophobicContact CG-CG 4.49Å
739	V	94.7	Very high	94.6	Very high	2 Å²	2	39 Å²	39	1%	0.012	19%	0.191	C	C	.	.			trans	-137.1	137.6	-176.6	-68	0	0	0	0	110.3	N611 L732 V743 F744 L747 F775	N611-V739 WeakPolarHBondContact OD1-CA 3.45Å; L732-V739 HydrophobicContact CD1-CG2 3.75Å; V739-V743 HydrophobicContact CB-CB 4.16Å; V739-V743 HydrophobicContact CB-CG1 3.95Å; V739-V743 HydrophobicContact CG1-CG1 3.92Å; V739-F744 HydrophobicContact CG2-CB 4.01Å; V739-F744 HydrophobicContact CG2-CD2 4.15Å; V739-L747 HydrophobicContact CG2-CD1 4.33Å; V739-F775 HydrophobicContact CG1-CE2 4.34Å; V739-F775 HydrophobicContact CG1-CZ 4.45Å
740	S	93.9	Very high	94.6	Very high	14 Å²	14	45.7 Å²	45.7	10%	0.098	22%	0.216	C	C	.	.			trans	-58.2	157	172.8	58.6	0	0	0	0	112.1	D608 E609 N611 R742 V743 F744	D608-S740 VanDerWaalsContact OD1-CA 3.28Å; D608-S740 WeakPolarHBondContact OD1-CA 3.26Å; D608-S740 WeakPolarHBondContact OD2-CB 3.29Å; E609-S740 WeakPolarHBondContact O-CA 3.5Å; E609-S740 WeakPolarHBondContact O-CB 3.49Å; E609-S740 PolarHBondContact O-N 3.45Å; N611-S740 PolarHBondContact ND2-OG 2.93Å; N611-S740 PolarHBondContact OD1-N 2.99Å; N611-S740 PolarHBondContact OD1-OG 2.92Å; S740-R742 PolarHBondContact O-N 2.9Å; S740-R742 VanDerWaalsContact O-N 3.16Å; S740-V743 PolarHBondContact O-N 3.1Å; S740-V743 WeakPolarHBondContact OG-CG2 3.49Å; S740-F744 WeakPolarHBondContact O-CB 3.49Å; S740-F744 PolarHBondContact O-N 3.37Å
741	N	93	Very high	94.6	Very high	32 Å²	32	43.9 Å²	43.9	17%	0.171	21%	0.206	C	C	.	.	H	α-helix	trans	-53.9	-38.1	178.7	-73.8	-27	0	0	0	111.7	E606 D608 R729 S745	E606-N741 PolarHBondContact OE1-ND2 3.01Å; D608-N741 PolarHBondContact OD1-N 3.07Å; D608-N741 PolarHBondContact OD1-ND2 2.85Å; D608-N741 PolarHBondContact OD1-OD1 2.69Å; D608-N741 PolarHBondContact OD2-N 3.33Å; R729-N741 PolarHBondContact NH1-OD1 3.38Å; R729-N741 PolarHBondContact NH2-OD1 3.08Å; N741-S745 WeakPolarHBondContact O-CB 3.08Å; N741-S745 PolarHBondContact O-N 2.84Å
742	R	92.3	Very high	94.6	Very high	216 Å²	216	44.5 Å²	44.5	82%	0.815	21%	0.209	S	C	*	.	H	α-helix	trans	-64.3	-47.9	176.9	-68.3	-176.7	177.5	-175.8	-1.2	112.4	S740 V746	S740-R742 PolarHBondContact O-N 2.9Å; S740-R742 VanDerWaalsContact O-N 3.16Å; R742-V746 PolarHBondContact O-N 3.12Å
743	V	94.7	Very high	94.4	Very high	49 Å²	49	47.6 Å²	47.6	30%	0.297	23%	0.226	S	C	.	.	H	α-helix	trans	-68	-44.6	178.4	174.1	0	0	0	0	109.9	V739 S740 S745 V746 L747	V739-V743 HydrophobicContact CB-CB 4.16Å; V739-V743 HydrophobicContact CB-CG1 3.95Å; V739-V743 HydrophobicContact CG1-CG1 3.92Å; S740-V743 PolarHBondContact O-N 3.1Å; S740-V743 WeakPolarHBondContact OG-CG2 3.49Å; V743-S745 VanDerWaalsContact C-N 3.3Å; V743-S745 PolarHBondContact O-N 2.98Å; V743-V746 PolarHBondContact O-N 2.82Å; V743-V746 VanDerWaalsContact O-N 3.15Å; V743-L747 HydrophobicContact CG1-CD1 4.2Å; V743-L747 HydrophobicContact CG1-CG 4.41Å; V743-L747 WeakPolarHBondContact O-CG 3.35Å; V743-L747 PolarHBondContact O-N 3.18Å
744	F	95.9	Very high	94.1	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-55.7	-44.7	176.4	-176.4	-97.6	0	0	0	112.2	V474 F728 R729 L732 V739 S740 V746 L747 A748	V474-F744 HydrophobicContact CG1-CD1 3.95Å; V474-F744 HydrophobicContact CG1-CE1 4.01Å; F728-F744 HydrophobicContact CB-CE2 4.47Å; F728-F744 HydrophobicContact CB-CZ 4.41Å; F728-F744 AromaticContact CD1-CE2 3.65Å; F728-F744 HydrophobicContact CD1-CE2 3.65Å; F728-F744 AromaticContact CD1-CZ 3.88Å; F728-F744 HydrophobicContact CD1-CZ 3.88Å; F728-F744 HydrophobicContact CE1-CE2 4.24Å; F728-F744 HydrophobicContact CG-CE2 4.26Å; R729-F744 HydrophobicContact CB-CD2 4.16Å; R729-F744 HydrophobicContact CB-CE2 3.5Å; R729-F744 VanDerWaalsContact CB-CE2 3.5Å; R729-F744 HydrophobicContact CB-CZ 3.87Å; R729-F744 HydrophobicContact CG-CD2 4.15Å; R729-F744 HydrophobicContact CG-CE2 4.01Å; R729-F744 VanDerWaalsContact NH2-CG 3.33Å; L732-F744 HydrophobicContact CD1-CD2 3.79Å; L732-F744 HydrophobicContact CD1-CE2 4Å; V739-F744 HydrophobicContact CG2-CB 4.01Å; V739-F744 HydrophobicContact CG2-CD2 4.15Å; S740-F744 WeakPolarHBondContact O-CB 3.49Å; S740-F744 PolarHBondContact O-N 3.37Å; F744-V746 VanDerWaalsContact C-N 3.34Å; F744-V746 PolarHBondContact O-N 2.99Å; F744-L747 PolarHBondContact O-N 3.08Å; F744-A748 HydrophobicContact CE1-CB 4.33Å; F744-A748 WeakPolarHBondContact O-CB 3.45Å; F744-A748 PolarHBondContact O-N 3.43Å
745	S	94.8	Very high	93.8	Very high	24 Å²	24	58.7 Å²	58.7	17%	0.168	27%	0.273	C	S	.	.	H	α-helix	trans	-57.3	-46.4	177.4	-177.6	0	0	0	0	111.5	N741 V743 L747 A748 H749	N741-S745 WeakPolarHBondContact O-CB 3.08Å; N741-S745 PolarHBondContact O-N 2.84Å; V743-S745 VanDerWaalsContact C-N 3.3Å; V743-S745 PolarHBondContact O-N 2.98Å; S745-L747 PolarHBondContact O-N 3.1Å; S745-A748 PolarHBondContact O-N 3.04Å; S745-H749 PolarHBondContact O-N 2.94Å; S745-H749 PolarHBondContact O-ND1 3.33Å; S745-H749 PolarHBondContact OG-CE1 2.82Å; S745-H749 VanDerWaalsContact OG-CE1 3.29Å; S745-H749 PolarHBondContact OG-ND1 3.36Å
746	V	95.1	Very high	93.5	Very high	98 Å²	98	67.5 Å²	67.5	59%	0.594	31%	0.306	S	S	*	.	H	α-helix	trans	-61.6	-43	177.3	176.1	0	0	0	0	111.7	R742 V743 F744 R750	R742-V746 PolarHBondContact O-N 3.12Å; V743-V746 PolarHBondContact O-N 2.82Å; V743-V746 VanDerWaalsContact O-N 3.15Å; F744-V746 VanDerWaalsContact C-N 3.34Å; F744-V746 PolarHBondContact O-N 2.99Å; V746-R750 WeakPolarHBondContact O-CB 3.46Å; V746-R750 PolarHBondContact O-N 3.23Å; V746-R750 VanDerWaalsContact O-N 3.11Å
747	L	96.3	Very high	93.4	Very high	15 Å²	15	67.6 Å²	67.6	8%	0.079	31%	0.307	C	S	.	.	H	α-helix	trans	-63.9	-44	178.1	-62.3	172.9	0	0	0	111.6	F728 L732 V739 V743 F744 S745 R750 H751 L771	F728-L747 HydrophobicContact CE1-CB 3.94Å; F728-L747 HydrophobicContact CZ-CB 4.2Å; L732-L747 HydrophobicContact CD1-CD1 3.85Å; V739-L747 HydrophobicContact CG2-CD1 4.33Å; V743-L747 HydrophobicContact CG1-CD1 4.2Å; V743-L747 HydrophobicContact CG1-CG 4.41Å; V743-L747 WeakPolarHBondContact O-CG 3.35Å; V743-L747 PolarHBondContact O-N 3.18Å; F744-L747 PolarHBondContact O-N 3.08Å; S745-L747 PolarHBondContact O-N 3.1Å; L747-R750 PolarHBondContact O-N 3.1Å; L747-H751 WeakPolarHBondContact O-CB 3.4Å; L747-H751 PolarHBondContact O-CD2 2.94Å; L747-H751 PolarHBondContact O-N 3.43Å; L747-L771 HydrophobicContact CD1-CD1 3.87Å; L747-L771 HydrophobicContact CD1-CD2 4.02Å; L747-L771 HydrophobicContact CD1-CG 4.27Å; L747-L771 HydrophobicContact CD2-CD1 4.41Å; L747-L771 HydrophobicContact CD2-CD2 4.04Å; L747-L771 HydrophobicContact CD2-CG 4.07Å
748	A	95.8	Very high	93.4	Very high	3 Å²	3	69.2 Å²	69.2	3%	0.025	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-49.1	-180	0	0	0	0	0	111.1	V474 F744 S745 R750 H751 I752	V474-A748 HydrophobicContact CB-CB 4.36Å; V474-A748 HydrophobicContact CG1-CB 4.23Å; V474-A748 HydrophobicContact CG2-CB 3.77Å; F744-A748 HydrophobicContact CE1-CB 4.33Å; F744-A748 WeakPolarHBondContact O-CB 3.45Å; F744-A748 PolarHBondContact O-N 3.43Å; S745-A748 PolarHBondContact O-N 3.04Å; A748-R750 VanDerWaalsContact C-N 3.26Å; A748-R750 PolarHBondContact O-N 2.96Å; A748-H751 PolarHBondContact O-N 3.18Å; A748-I752 HydrophobicContact CB-CD1 3.7Å; A748-I752 HydrophobicContact CB-CG1 4.45Å; A748-I752 VanDerWaalsContact O-CB 3.25Å; A748-I752 WeakPolarHBondContact O-CB 3.41Å; A748-I752 WeakPolarHBondContact O-CG1 3.39Å; A748-I752 PolarHBondContact O-N 2.93Å
749	H	94.9	Very high	93.4	Very high	116 Å²	116	65.8 Å²	65.8	54%	0.537	30%	0.3	S	S	.	.	H	α-helix	trans	-60	-34.2	176.4	-75.5	93.3	0	0	0	113.4	S745	S745-H749 PolarHBondContact O-N 2.94Å; S745-H749 PolarHBondContact O-ND1 3.33Å; S745-H749 PolarHBondContact OG-CE1 2.82Å; S745-H749 VanDerWaalsContact OG-CE1 3.29Å; S745-H749 PolarHBondContact OG-ND1 3.36Å
750	R	94.1	Very high	93.3	Very high	160 Å²	160	67.6 Å²	67.6	60%	0.604	31%	0.312	S	S	*	.	H	α-helix	trans	-81.6	-37.2	-176.8	-175.9	174.3	-179.7	179	-0.6	113.2	V746 L747 A748	V746-R750 WeakPolarHBondContact O-CB 3.46Å; V746-R750 PolarHBondContact O-N 3.23Å; V746-R750 VanDerWaalsContact O-N 3.11Å; L747-R750 PolarHBondContact O-N 3.1Å; A748-R750 VanDerWaalsContact C-N 3.26Å; A748-R750 PolarHBondContact O-N 2.96Å
751	H	94.4	Very high	93.2	Very high	11 Å²	11	67 Å²	67	5%	0.051	31%	0.308	C	S	.	.	H	α-helix	trans	-113.5	-18.1	-165.5	-65.7	-75.5	0	0	0	114.6	L747 A748 I759 S763 C767	L747-H751 WeakPolarHBondContact O-CB 3.4Å; L747-H751 PolarHBondContact O-CD2 2.94Å; L747-H751 PolarHBondContact O-N 3.43Å; A748-H751 PolarHBondContact O-N 3.18Å; H751-I759 HydrophobicContact CB-CD1 3.97Å; H751-S763 PolarHBondContact ND1-O 3.1Å; H751-S763 WeakPolarHBondContact O-CB 3.47Å; H751-C767 HydrophobicContact CB-CB 4.39Å; H751-C767 PolarHBondContact CE1-N 3.04Å
752	I	94.8	Very high	93	Very high	13 Å²	13	68.5 Å²	68.5	7%	0.067	31%	0.314	C	S	.	.	S	Bend	trans	-88	131	176.8	-57.3	176.8	0	0	0	109.2	N473 W725 F728 A748 H754 I759	N473-I752 HydrophobicContact CB-CG2 4.02Å; N473-I752 WeakPolarHBondContact O-CD1 3.01Å; W725-I752 HydrophobicContact CB-CD1 3.92Å; W725-I752 HydrophobicContact CB-CG2 3.94Å; F728-I752 HydrophobicContact CB-CD1 4.41Å; F728-I752 HydrophobicContact CD1-CD1 3.82Å; F728-I752 HydrophobicContact CD1-CG1 4.25Å; F728-I752 HydrophobicContact CE1-CD1 4.48Å; F728-I752 HydrophobicContact CG-CD1 4.38Å; A748-I752 HydrophobicContact CB-CD1 3.7Å; A748-I752 HydrophobicContact CB-CG1 4.45Å; A748-I752 VanDerWaalsContact O-CB 3.25Å; A748-I752 WeakPolarHBondContact O-CB 3.41Å; A748-I752 WeakPolarHBondContact O-CG1 3.39Å; A748-I752 PolarHBondContact O-N 2.93Å; I752-H754 PolarHBondContact O-N 3.38Å; I752-H754 VanDerWaalsContact O-N 3.12Å; I752-I759 HydrophobicContact CG1-CB 4.43Å
753	D	92.2	Very high	93	Very high	65 Å²	65	59.9 Å²	59.9	35%	0.348	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-67.6	111	172.3	-178.7	-35.5	0	0	0	109.1	K755 R756 G757 H758	D753-K755 PolarHBondContact O-N 3.44Å; D753-K755 WeakPolarHBondContact OD1-CA 3.23Å; D753-K755 WeakPolarHBondContact OD1-CB 3.42Å; D753-K755 PolarHBondContact OD1-N 2.98Å; D753-R756 HydrophobicContact CB-CB 4.14Å; D753-R756 PolarHBondContact O-N 3.32Å; D753-R756 PolarHBondContact OD1-N 3.47Å; D753-R756 WeakPolarHBondContact OD2-CD 3.37Å; D753-R756 IonicContact OD2-NE 3.7Å; D753-G757 WeakPolarHBondContact O-CA 3.39Å; D753-G757 PolarHBondContact O-N 3.41Å; D753-H758 PolarHBondContact N-O 2.98Å
754	H	88.1	Confident	93.1	Very high	129 Å²	129	57.6 Å²	57.6	60%	0.597	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.1	-177.6	-173.2	-60.2	0	0	0	113.3	N473 I752	N473-H754 PolarHBondContact ND2-O 3.49Å; I752-H754 PolarHBondContact O-N 3.38Å; I752-H754 VanDerWaalsContact O-N 3.12Å
755	K	88.1	Confident	93	Very high	199 Å²	199	57.3 Å²	57.3	87%	0.865	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-36.7	-177.7	-68.9	-176.2	178.7	179	0	111.8	D753	D753-K755 PolarHBondContact O-N 3.44Å; D753-K755 WeakPolarHBondContact OD1-CA 3.23Å; D753-K755 WeakPolarHBondContact OD1-CB 3.42Å; D753-K755 PolarHBondContact OD1-N 2.98Å
756	R	87.8	Confident	92.9	Very high	186 Å²	186	57.3 Å²	57.3	70%	0.702	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-22.9	-176.4	-64.2	-178.7	174.2	169	-1.1	113.2	D753 H758	D753-R756 HydrophobicContact CB-CB 4.14Å; D753-R756 PolarHBondContact O-N 3.32Å; D753-R756 PolarHBondContact OD1-N 3.47Å; D753-R756 WeakPolarHBondContact OD2-CD 3.37Å; D753-R756 IonicContact OD2-NE 3.7Å; R756-H758 VanDerWaalsContact C-N 3.3Å; R756-H758 PolarHBondContact O-ND1 2.71Å
757	G	92.2	Very high	92.9	Very high	6 Å²	6	52.7 Å²	52.7	6%	0.062	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	28.2	-175.4	0	0	0	0	0	113.1	N473 W725 D753	N473-G757 WeakPolarHBondContact OD1-CA 3.28Å; W725-G757 WeakPolarHBondContact CB-O 3.31Å; W725-G757 PolarHBondContact N-O 3.24Å; D753-G757 WeakPolarHBondContact O-CA 3.39Å; D753-G757 PolarHBondContact O-N 3.41Å
758	H	94.1	Very high	92.9	Very high	38 Å²	38	52 Å²	52	18%	0.176	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.2	-176.5	-61.1	-12.4	0	0	0	110.6	C722 V723 D753 R756	C722-H758 HydrophobicContact CB-CB 4.28Å; V723-H758 CarbonylContact O-C 3.5Å; V723-H758 VanDerWaalsContact O-CA 3.27Å; V723-H758 WeakPolarHBondContact O-CA 3.44Å; D753-H758 PolarHBondContact N-O 2.98Å; R756-H758 VanDerWaalsContact C-N 3.3Å; R756-H758 PolarHBondContact O-ND1 2.71Å
759	I	94.2	Very high	92.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.6	169.5	-173.6	169.1	0	0	0	109.3	C722 V723 F728 H751 I752	C722-I759 WeakPolarHBondContact CA-O 3.15Å; V723-I759 HydrophobicContact CB-CG2 3.74Å; V723-I759 HydrophobicContact CG1-CG2 4.35Å; V723-I759 PolarHBondContact N-O 2.85Å; V723-I759 PolarHBondContact O-N 2.69Å; F728-I759 HydrophobicContact CD2-CD1 3.79Å; F728-I759 HydrophobicContact CD2-CG2 4.34Å; F728-I759 HydrophobicContact CE2-CD1 3.39Å; F728-I759 HydrophobicContact CZ-CD1 3.85Å; H751-I759 HydrophobicContact CB-CD1 3.97Å; I752-I759 HydrophobicContact CG1-CB 4.43Å
760	S	92.1	Very high	92.7	Very high	39 Å²	39	47.1 Å²	47.1	27%	0.273	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	158.2	174.4	65.4	0	0	0	0	111.1	G721 E762 S763 Y764	G721-S760 WeakPolarHBondContact O-CA 3.14Å; S760-E762 VanDerWaalsContact C-N 3.26Å; S760-E762 PolarHBondContact O-N 2.87Å; S760-S763 PolarHBondContact O-N 3.3Å; S760-S763 WeakPolarHBondContact OG-CB 3.37Å; S760-S763 PolarHBondContact OG-N 2.98Å; S760-S763 PolarHBondContact OG-OG 2.77Å; S760-Y764 WeakPolarHBondContact O-CB 3.44Å; S760-Y764 PolarHBondContact O-N 2.86Å
761	L	91.4	Very high	92.7	Very high	3 Å²	3	40 Å²	40	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-53.7	-44.8	173.6	178.1	61.8	0	0	0	111.6	Y667 F671 M710 F713 G721 Y764 L765	Y667-L761 WeakPolarHBondContact O-CD2 3.3Å; F671-L761 HydrophobicContact CE1-CD2 4.26Å; F671-L761 HydrophobicContact CE1-CG 4.28Å; M710-L761 HydrophobicContact CE-CD2 4.43Å; F713-L761 HydrophobicContact CB-CD1 4.01Å; F713-L761 HydrophobicContact CD1-CB 4.34Å; F713-L761 HydrophobicContact CD1-CD1 3.73Å; F713-L761 HydrophobicContact CD2-CD1 4.08Å; F713-L761 HydrophobicContact CE1-CB 3.92Å; F713-L761 HydrophobicContact CE1-CD1 4.2Å; F713-L761 HydrophobicContact CE2-CB 4.39Å; F713-L761 HydrophobicContact CE2-CD1 4.49Å; F713-L761 HydrophobicContact CG-CD1 3.66Å; F713-L761 HydrophobicContact CZ-CB 3.94Å; G721-L761 PolarHBondContact O-N 2.93Å; G721-L761 VanDerWaalsContact O-N 3.12Å; L761-Y764 HydrophobicContact CD1-CD1 4.33Å; L761-Y764 PolarHBondContact O-N 2.76Å; L761-L765 HydrophobicContact CD1-CD1 4.24Å; L761-L765 HydrophobicContact CD1-CD2 4.5Å; L761-L765 HydrophobicContact CD1-CG 4.13Å; L761-L765 HydrophobicContact CG-CD1 4.19Å; L761-L765 HydrophobicContact CG-CG 4.45Å; L761-L765 VanDerWaalsContact O-CG 3.31Å; L761-L765 WeakPolarHBondContact O-CG 3.39Å; L761-L765 PolarHBondContact O-N 2.86Å
762	E	90.5	Very high	92.6	Very high	62 Å²	62	40.1 Å²	40.1	29%	0.29	19%	0.189	S	C	.	.	H	α-helix	trans	-57.6	-52.2	177.3	-174.9	-168.4	160.6	0	0	112.2	F671 P675 L678 S760 Y764 L765 H766	F671-E762 HydrophobicContact CD1-CB 4.02Å; F671-E762 HydrophobicContact CE1-CB 3.9Å; P675-E762 HydrophobicContact CG-CG 4.26Å; L678-E762 HydrophobicContact CD2-CG 4.4Å; S760-E762 VanDerWaalsContact C-N 3.26Å; S760-E762 PolarHBondContact O-N 2.87Å; E762-Y764 VanDerWaalsContact C-N 3.28Å; E762-Y764 PolarHBondContact O-N 2.82Å; E762-L765 PolarHBondContact O-N 3.26Å; E762-H766 PolarHBondContact O-N 2.74Å
763	S	92.6	Very high	92.3	Very high	36 Å²	36	40.5 Å²	40.5	25%	0.252	19%	0.19	S	C	.	.	H	α-helix	trans	-62	-37.9	179.5	-73.5	0	0	0	0	111.9	H751 S760 C767	H751-S763 PolarHBondContact ND1-O 3.1Å; H751-S763 WeakPolarHBondContact O-CB 3.47Å; S760-S763 PolarHBondContact O-N 3.3Å; S760-S763 WeakPolarHBondContact OG-CB 3.37Å; S760-S763 PolarHBondContact OG-N 2.98Å; S760-S763 PolarHBondContact OG-OG 2.77Å; S763-C767 WeakPolarHBondContact O-CB 3.41Å; S763-C767 PolarHBondContact O-N 3.27Å
764	Y	94.9	Very high	92.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.8	-43.9	175.7	165.9	-102.3	0	0	0	112.3	W709 F713 L731 S735 S760 L761 E762 H766 C767 M768	W709-Y764 HydrophobicContact CB-CE1 3.83Å; W709-Y764 VanDerWaalsContact O-CE1 3.3Å; W709-Y764 WeakPolarHBondContact O-CE1 3.34Å; W709-Y764 PolarHBondContact O-OH 2.86Å; F713-Y764 HydrophobicContact CB-CD1 4.02Å; F713-Y764 HydrophobicContact CB-CE1 3.76Å; F713-Y764 AromaticContact CD2-CD1 3.4Å; F713-Y764 HydrophobicContact CD2-CD1 3.4Å; F713-Y764 VanDerWaalsContact CD2-CD1 3.4Å; F713-Y764 HydrophobicContact CD2-CD2 4.31Å; F713-Y764 AromaticContact CD2-CE1 3.95Å; F713-Y764 HydrophobicContact CD2-CE1 3.95Å; F713-Y764 AromaticContact CD2-CG 3.58Å; F713-Y764 HydrophobicContact CD2-CG 3.58Å; F713-Y764 HydrophobicContact CE2-CD1 4.23Å; F713-Y764 HydrophobicContact CE2-CG 4.09Å; F713-Y764 HydrophobicContact CG-CD1 4.07Å; F713-Y764 HydrophobicContact CG-CE1 4.3Å; L731-Y764 HydrophobicContact CD1-CE2 4.08Å; L731-Y764 HydrophobicContact CD2-CD2 3.54Å; L731-Y764 HydrophobicContact CD2-CE2 3.62Å; L731-Y764 HydrophobicContact CD2-CG 4.22Å; L731-Y764 HydrophobicContact CG-CD2 4.09Å; L731-Y764 HydrophobicContact CG-CE2 3.62Å; S735-Y764 PolarHBondContact OG-OH 2.88Å; S760-Y764 WeakPolarHBondContact O-CB 3.44Å; S760-Y764 PolarHBondContact O-N 2.86Å; L761-Y764 HydrophobicContact CD1-CD1 4.33Å; L761-Y764 PolarHBondContact O-N 2.76Å; E762-Y764 VanDerWaalsContact C-N 3.28Å; E762-Y764 PolarHBondContact O-N 2.82Å; Y764-H766 VanDerWaalsContact C-N 3.33Å; Y764-H766 PolarHBondContact O-N 3.17Å; Y764-C767 WeakPolarHBondContact O-CA 3.5Å; Y764-C767 VanDerWaalsContact O-CB 3.25Å; Y764-C767 WeakPolarHBondContact O-CB 3.45Å; Y764-C767 PolarHBondContact O-N 3.02Å; Y764-C767 VanDerWaalsContact O-N 3.11Å; Y764-M768 HydrophobicContact CD1-CG 4.42Å; Y764-M768 HydrophobicContact CD2-CE 4.18Å; Y764-M768 HydrophobicContact CD2-CG 4.09Å; Y764-M768 HydrophobicContact CE1-CG 3.97Å; Y764-M768 HydrophobicContact CE2-CE 3.75Å; Y764-M768 HydrophobicContact CE2-CG 3.57Å; Y764-M768 HydrophobicContact CE2-SD 3.7Å; Y764-M768 HydrophobicContact CG-CG 4.5Å; Y764-M768 WeakPolarHBondContact O-CG 3.26Å; Y764-M768 PolarHBondContact O-N 3.11Å
765	L	93.8	Very high	92.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-39.2	176.8	-68.2	178.1	0	0	0	111.7	F671 F674 L678 L706 W709 M710 L761 E762 C767 M768 A769	F671-L765 HydrophobicContact CZ-CD1 4.47Å; F674-L765 HydrophobicContact CE1-CD1 4.34Å; L678-L765 HydrophobicContact CD1-CB 3.83Å; L678-L765 HydrophobicContact CD2-CB 4.15Å; L678-L765 HydrophobicContact CD2-CD1 4.11Å; L706-L765 HydrophobicContact CD1-CD1 3.96Å; L706-L765 HydrophobicContact CD1-CD2 3.73Å; L706-L765 HydrophobicContact CD1-CG 4.42Å; W709-L765 HydrophobicContact CB-CD2 3.92Å; W709-L765 HydrophobicContact CE3-CD2 4.27Å; M710-L765 HydrophobicContact CG-CD2 4.22Å; L761-L765 HydrophobicContact CD1-CD1 4.24Å; L761-L765 HydrophobicContact CD1-CD2 4.5Å; L761-L765 HydrophobicContact CD1-CG 4.13Å; L761-L765 HydrophobicContact CG-CD1 4.19Å; L761-L765 HydrophobicContact CG-CG 4.45Å; L761-L765 VanDerWaalsContact O-CG 3.31Å; L761-L765 WeakPolarHBondContact O-CG 3.39Å; L761-L765 PolarHBondContact O-N 2.86Å; E762-L765 PolarHBondContact O-N 3.26Å; L765-C767 VanDerWaalsContact C-N 3.34Å; L765-C767 PolarHBondContact O-N 3.22Å; L765-M768 PolarHBondContact O-N 3.43Å; L765-A769 WeakPolarHBondContact O-CB 3.23Å; L765-A769 PolarHBondContact O-N 2.87Å
766	H	93.5	Very high	92.2	Very high	25 Å²	25	26.1 Å²	26.1	12%	0.116	13%	0.132	C	C	.	.	H	α-helix	trans	-59.4	-43.9	170.1	-93.6	-64.8	0	0	0	112.3	N677 L678 S681 E762 Y764 N770	N677-H766 PolarHBondContact ND2-NE2 3.04Å; L678-H766 WeakPolarHBondContact CA-CE1 3.39Å; L678-H766 WeakPolarHBondContact CA-NE2 3.4Å; L678-H766 HydrophobicContact CD1-CB 4.39Å; L678-H766 PolarHBondContact N-CE1 3.42Å; L678-H766 PolarHBondContact N-NE2 3.28Å; S681-H766 PolarHBondContact OG-CE1 3.19Å; S681-H766 PolarHBondContact OG-ND1 3.06Å; E762-H766 PolarHBondContact O-N 2.74Å; Y764-H766 VanDerWaalsContact C-N 3.33Å; Y764-H766 PolarHBondContact O-N 3.17Å; H766-N770 WeakPolarHBondContact O-CB 3.38Å; H766-N770 PolarHBondContact O-N 2.88Å; H766-N770 VanDerWaalsContact O-N 3.09Å; H766-N770 PolarHBondContact O-ND2 3.12Å; H766-N770 VanDerWaalsContact O-ND2 3.15Å
767	C	95.7	Very high	92	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.5	-48.6	176.1	179.6	0	0	0	0	111.2	H751 S763 Y764 L765 N770 L771	H751-C767 HydrophobicContact CB-CB 4.39Å; H751-C767 PolarHBondContact CE1-N 3.04Å; S763-C767 WeakPolarHBondContact O-CB 3.41Å; S763-C767 PolarHBondContact O-N 3.27Å; Y764-C767 WeakPolarHBondContact O-CA 3.5Å; Y764-C767 VanDerWaalsContact O-CB 3.25Å; Y764-C767 WeakPolarHBondContact O-CB 3.45Å; Y764-C767 PolarHBondContact O-N 3.02Å; Y764-C767 VanDerWaalsContact O-N 3.11Å; L765-C767 VanDerWaalsContact C-N 3.34Å; L765-C767 PolarHBondContact O-N 3.22Å; C767-N770 PolarHBondContact O-N 3.1Å; C767-L771 WeakPolarHBondContact O-CB 3.49Å; C767-L771 PolarHBondContact O-N 3.41Å
768	M	96.5	Very high	91.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.1	-43.3	-178.8	-68.3	-58.9	94.8	0	0	112.6	W709 L732 Y737 Y764 L765 N770 L771 K772	W709-M768 HydrophobicContact CB-CG 4.18Å; W709-M768 HydrophobicContact CD2-CB 3.42Å; W709-M768 VanDerWaalsContact CD2-CB 3.42Å; W709-M768 HydrophobicContact CD2-CG 3.86Å; W709-M768 HydrophobicContact CE3-CB 3.67Å; W709-M768 HydrophobicContact CE3-CG 4.44Å; W709-M768 HydrophobicContact CG-CB 3.85Å; W709-M768 HydrophobicContact CG-CG 3.69Å; W709-M768 HydrophobicContact CG-SD 4.43Å; W709-M768 HydrophobicContact CH2-CB 4.1Å; W709-M768 HydrophobicContact CZ2-CB 3.88Å; W709-M768 HydrophobicContact CZ3-CB 4Å; L732-M768 HydrophobicContact CD2-CE 3.21Å; Y737-M768 HydrophobicContact CD2-SD 4.06Å; Y737-M768 HydrophobicContact CE2-SD 3.97Å; Y764-M768 HydrophobicContact CD1-CG 4.42Å; Y764-M768 HydrophobicContact CD2-CE 4.18Å; Y764-M768 HydrophobicContact CD2-CG 4.09Å; Y764-M768 HydrophobicContact CE1-CG 3.97Å; Y764-M768 HydrophobicContact CE2-CE 3.75Å; Y764-M768 HydrophobicContact CE2-CG 3.57Å; Y764-M768 HydrophobicContact CE2-SD 3.7Å; Y764-M768 HydrophobicContact CG-CG 4.5Å; Y764-M768 WeakPolarHBondContact O-CG 3.26Å; Y764-M768 PolarHBondContact O-N 3.11Å; L765-M768 PolarHBondContact O-N 3.43Å; M768-N770 VanDerWaalsContact C-N 3.34Å; M768-N770 PolarHBondContact O-N 2.93Å; M768-L771 HydrophobicContact CE-CD1 3.7Å; M768-L771 PolarHBondContact O-N 3.25Å; M768-K772 VanDerWaalsContact O-CB 3.27Å; M768-K772 WeakPolarHBondContact O-CB 3.31Å; M768-K772 PolarHBondContact O-N 3.41Å
769	A	93.5	Very high	91.2	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-45.1	175.8	0	0	0	0	0	111.6	L682 S685 L765 F773	L682-A769 HydrophobicContact CD2-CB 4.24Å; S685-A769 WeakPolarHBondContact CB-O 3.43Å; L765-A769 WeakPolarHBondContact O-CB 3.23Å; L765-A769 PolarHBondContact O-N 2.87Å; A769-F773 WeakPolarHBondContact O-CB 3.46Å; A769-F773 PolarHBondContact O-N 2.96Å
770	N	92	Very high	90.5	Very high	17 Å²	17	25.2 Å²	25.2	9%	0.091	14%	0.144	C	C	.	.	H	α-helix	trans	-67.2	-42.6	178.5	-69.4	-23.2	0	0	0	112.3	H766 C767 M768 F773 A774	H766-N770 WeakPolarHBondContact O-CB 3.38Å; H766-N770 PolarHBondContact O-N 2.88Å; H766-N770 VanDerWaalsContact O-N 3.09Å; H766-N770 PolarHBondContact O-ND2 3.12Å; H766-N770 VanDerWaalsContact O-ND2 3.15Å; C767-N770 PolarHBondContact O-N 3.1Å; M768-N770 VanDerWaalsContact C-N 3.34Å; M768-N770 PolarHBondContact O-N 2.93Å; N770-F773 PolarHBondContact O-N 2.61Å; N770-A774 WeakPolarHBondContact O-CB 3.47Å; N770-A774 PolarHBondContact O-N 2.9Å
771	L	93.3	Very high	90	Very high	9 Å²	9	23.8 Å²	23.8	5%	0.047	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-47.6	176.5	-85	178.3	0	0	0	111.4	L732 Y737 L747 C767 M768 F773 A774 F775	L732-L771 HydrophobicContact CD2-CD1 3.88Å; Y737-L771 HydrophobicContact CE1-CB 4.3Å; Y737-L771 HydrophobicContact CG-CD1 4.39Å; L747-L771 HydrophobicContact CD1-CD1 3.87Å; L747-L771 HydrophobicContact CD1-CD2 4.02Å; L747-L771 HydrophobicContact CD1-CG 4.27Å; L747-L771 HydrophobicContact CD2-CD1 4.41Å; L747-L771 HydrophobicContact CD2-CD2 4.04Å; L747-L771 HydrophobicContact CD2-CG 4.07Å; C767-L771 WeakPolarHBondContact O-CB 3.49Å; C767-L771 PolarHBondContact O-N 3.41Å; M768-L771 HydrophobicContact CE-CD1 3.7Å; M768-L771 PolarHBondContact O-N 3.25Å; L771-F773 VanDerWaalsContact C-N 3.32Å; L771-F773 PolarHBondContact O-N 2.97Å; L771-A774 PolarHBondContact O-N 2.62Å; L771-F775 HydrophobicContact CD2-CD2 4.37Å; L771-F775 HydrophobicContact CD2-CE2 4.12Å; L771-F775 WeakPolarHBondContact O-CB 3.47Å; L771-F775 WeakPolarHBondContact O-CD2 3.48Å; L771-F775 PolarHBondContact O-N 2.96Å
772	K	92.3	Very high	89.3	Confident	15 Å²	15	24.6 Å²	24.6	7%	0.065	14%	0.139	C	C	.	.	H	α-helix	trans	-54.6	-50.4	175.9	176.8	172.7	172.8	53.1	0	111	S685 D705 W709 Y737 M768 A774 F775 D776	S685-K772 WeakPolarHBondContact O-CE 3.47Å; D705-K772 VanDerWaalsContact OD2-CD 3.28Å; D705-K772 WeakPolarHBondContact OD2-CD 3.47Å; D705-K772 WeakPolarHBondContact OD2-CE 3.41Å; D705-K772 IonicContact OD2-NZ 2.73Å; W709-K772 HydrophobicContact CH2-CB 4.29Å; W709-K772 HydrophobicContact CH2-CD 4.01Å; W709-K772 HydrophobicContact CZ2-CB 4.09Å; W709-K772 HydrophobicContact CZ2-CD 3.98Å; Y737-K772 WeakPolarHBondContact OH-CA 3.41Å; Y737-K772 WeakPolarHBondContact OH-CB 3.37Å; M768-K772 VanDerWaalsContact O-CB 3.27Å; M768-K772 WeakPolarHBondContact O-CB 3.31Å; M768-K772 PolarHBondContact O-N 3.41Å; K772-A774 VanDerWaalsContact C-N 3.34Å; K772-A774 PolarHBondContact O-N 2.99Å; K772-F775 PolarHBondContact O-N 3.16Å; K772-D776 IonicContact NZ-OD1 2.68Å; K772-D776 IonicContact NZ-OD2 3.32Å; K772-D776 PolarHBondContact NZ-OD2 3.11Å; K772-D776 VanDerWaalsContact NZ-OD2 3.14Å; K772-D776 VanDerWaalsContact O-CB 3.31Å; K772-D776 WeakPolarHBondContact O-CB 3.47Å; K772-D776 PolarHBondContact O-N 3.18Å
773	F	89.4	Confident	88.8	Confident	21 Å²	21	26 Å²	26	9%	0.092	14%	0.144	C	C	.	.	H	α-helix	trans	-58.3	-47.3	178.3	-179.8	-98.5	0	0	0	111.6	S684 A769 N770 L771 D776 V777 L799 S802 T803	S684-F773 VanDerWaalsContact O-CD2 3.31Å; S684-F773 WeakPolarHBondContact O-CD2 3.43Å; A769-F773 WeakPolarHBondContact O-CB 3.46Å; A769-F773 PolarHBondContact O-N 2.96Å; N770-F773 PolarHBondContact O-N 2.61Å; L771-F773 VanDerWaalsContact C-N 3.32Å; L771-F773 PolarHBondContact O-N 2.97Å; F773-D776 PolarHBondContact O-N 2.94Å; F773-V777 HydrophobicContact CD1-CG2 4.27Å; F773-V777 HydrophobicContact CE1-CG2 3.83Å; F773-V777 HydrophobicContact CE2-CG2 4.25Å; F773-V777 HydrophobicContact CZ-CG2 3.81Å; F773-V777 VanDerWaalsContact O-CG2 3.32Å; F773-V777 WeakPolarHBondContact O-CG2 3.1Å; F773-V777 PolarHBondContact O-N 3.12Å; F773-L799 HydrophobicContact CZ-CD2 4.12Å; F773-S802 WeakPolarHBondContact CZ-OG 3.23Å; F773-T803 HydrophobicContact CD1-CG2 3.17Å; F773-T803 HydrophobicContact CE1-CG2 3.39Å; F773-T803 HydrophobicContact CG-CG2 3.97Å; F773-T803 HydrophobicContact CZ-CG2 4.33Å
774	A	89.8	Confident	88.1	Confident	46 Å²	46	26.1 Å²	26.1	38%	0.38	15%	0.145	S	C	.	.	H	α-helix	trans	-62.8	-45.4	179.7	0	0	0	0	0	112.5	N770 L771 K772 V777 T778	N770-A774 WeakPolarHBondContact O-CB 3.47Å; N770-A774 PolarHBondContact O-N 2.9Å; L771-A774 PolarHBondContact O-N 2.62Å; K772-A774 VanDerWaalsContact C-N 3.34Å; K772-A774 PolarHBondContact O-N 2.99Å; A774-V777 PolarHBondContact O-N 3.46Å; A774-T778 WeakPolarHBondContact O-CG2 3.45Å; A774-T778 PolarHBondContact O-N 2.8Å; A774-T778 PolarHBondContact O-OG1 3.33Å
775	F	90.7	Very high	87.3	Confident	25 Å²	25	34.6 Å²	34.6	11%	0.11	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-37.3	177.1	-89.5	-81.5	0	0	0	112.6	N611 S612 Y737 V739 L771 K772 T778 S779	N611-F775 HydrophobicContact CB-CE1 4.39Å; N611-F775 HydrophobicContact CB-CZ 4.13Å; S612-F775 VanDerWaalsContact C-CE1 3.47Å; Y737-F775 AromaticContact CD1-CD2 3.64Å; Y737-F775 HydrophobicContact CD1-CD2 3.64Å; Y737-F775 AromaticContact CD1-CE2 3.61Å; Y737-F775 HydrophobicContact CD1-CE2 3.61Å; Y737-F775 HydrophobicContact CD1-CG 4.36Å; Y737-F775 HydrophobicContact CD1-CZ 4.32Å; Y737-F775 HydrophobicContact CE1-CB 4.47Å; Y737-F775 AromaticContact CE1-CD2 3.68Å; Y737-F775 HydrophobicContact CE1-CD2 3.68Å; Y737-F775 HydrophobicContact CE1-CE2 4.17Å; Y737-F775 HydrophobicContact CE1-CG 4.2Å; V739-F775 HydrophobicContact CG1-CE2 4.34Å; V739-F775 HydrophobicContact CG1-CZ 4.45Å; L771-F775 HydrophobicContact CD2-CD2 4.37Å; L771-F775 HydrophobicContact CD2-CE2 4.12Å; L771-F775 WeakPolarHBondContact O-CB 3.47Å; L771-F775 WeakPolarHBondContact O-CD2 3.48Å; L771-F775 PolarHBondContact O-N 2.96Å; K772-F775 PolarHBondContact O-N 3.16Å; F775-T778 WeakPolarHBondContact CA-OG1 3.12Å; F775-T778 PolarHBondContact O-N 3.09Å; F775-T778 PolarHBondContact O-OG1 3.37Å; F775-S779 VanDerWaalsContact O-CB 3.26Å; F775-S779 WeakPolarHBondContact O-CB 3.18Å; F775-S779 PolarHBondContact O-N 2.97Å; F775-S779 PolarHBondContact O-OG 3.3Å
776	D	85.6	Confident	86.7	Confident	19 Å²	19	43.6 Å²	43.6	10%	0.102	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-47.5	172.9	-80	-12.6	0	0	0	109.5	K67 K772 F773 T778 S779 Y780	K67-D776 HydrophobicContact CD-CB 4.26Å; K67-D776 WeakPolarHBondContact CE-OD2 3.44Å; K67-D776 IonicContact NZ-OD2 2.72Å; K67-D776 PolarHBondContact NZ-OD2 3.19Å; K772-D776 IonicContact NZ-OD1 2.68Å; K772-D776 IonicContact NZ-OD2 3.32Å; K772-D776 PolarHBondContact NZ-OD2 3.11Å; K772-D776 VanDerWaalsContact NZ-OD2 3.14Å; K772-D776 VanDerWaalsContact O-CB 3.31Å; K772-D776 WeakPolarHBondContact O-CB 3.47Å; K772-D776 PolarHBondContact O-N 3.18Å; F773-D776 PolarHBondContact O-N 2.94Å; D776-T778 PolarHBondContact O-N 2.96Å; D776-S779 PolarHBondContact O-N 2.93Å; D776-Y780 HydrophobicContact CB-CD2 4.3Å; D776-Y780 HydrophobicContact CB-CE2 4.32Å; D776-Y780 WeakPolarHBondContact O-CD2 3.4Å; D776-Y780 PolarHBondContact O-N 3.02Å
777	V	83.4	Confident	86.1	Confident	18 Å²	18	44.3 Å²	44.3	11%	0.109	24%	0.243	C	C	.	.	H	α-helix	trans	-56.6	-50.8	175.5	169.3	0	0	0	0	111	F773 A774 S779 Y780 H781 F791 L799	F773-V777 HydrophobicContact CD1-CG2 4.27Å; F773-V777 HydrophobicContact CE1-CG2 3.83Å; F773-V777 HydrophobicContact CE2-CG2 4.25Å; F773-V777 HydrophobicContact CZ-CG2 3.81Å; F773-V777 VanDerWaalsContact O-CG2 3.32Å; F773-V777 WeakPolarHBondContact O-CG2 3.1Å; F773-V777 PolarHBondContact O-N 3.12Å; A774-V777 PolarHBondContact O-N 3.46Å; V777-S779 PolarHBondContact O-N 3.47Å; V777-Y780 PolarHBondContact O-N 3.29Å; V777-H781 HydrophobicContact CG1-CB 4.48Å; V777-H781 WeakPolarHBondContact O-CB 2.96Å; V777-H781 PolarHBondContact O-N 2.7Å; V777-F791 HydrophobicContact CG1-CE1 4.03Å; V777-F791 HydrophobicContact CG1-CZ 4.09Å; V777-L799 HydrophobicContact CG1-CD1 3.83Å; V777-L799 HydrophobicContact CG2-CD2 3.96Å
778	T	85.4	Confident	85.5	Confident	52 Å²	52	49.2 Å²	49.2	32%	0.319	27%	0.269	S	S	.	.	H	α-helix	trans	-66.7	-24	-179.3	60.2	0	0	0	0	113.7	A774 F775 D776 K783 L789	A774-T778 WeakPolarHBondContact O-CG2 3.45Å; A774-T778 PolarHBondContact O-N 2.8Å; A774-T778 PolarHBondContact O-OG1 3.33Å; F775-T778 WeakPolarHBondContact CA-OG1 3.12Å; F775-T778 PolarHBondContact O-N 3.09Å; F775-T778 PolarHBondContact O-OG1 3.37Å; D776-T778 PolarHBondContact O-N 2.96Å; T778-K783 WeakPolarHBondContact O-CE 3.38Å; T778-K783 PolarHBondContact O-NZ 2.82Å; T778-L789 HydrophobicContact CG2-CD1 3.7Å
779	S	83.8	Confident	84.8	Confident	65 Å²	65	51.7 Å²	51.7	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-77.3	-45.5	177.6	-61.8	0	0	0	0	112	F775 D776 V777	F775-S779 VanDerWaalsContact O-CB 3.26Å; F775-S779 WeakPolarHBondContact O-CB 3.18Å; F775-S779 PolarHBondContact O-N 2.97Å; F775-S779 PolarHBondContact O-OG 3.3Å; D776-S779 PolarHBondContact O-N 2.93Å; V777-S779 PolarHBondContact O-N 3.47Å
780	Y	79.9	Confident	84.1	Confident	77 Å²	77	56.9 Å²	56.9	30%	0.302	31%	0.307	S	S	.	.	H	α-helix	trans	-97.4	-15.6	-172.7	-60.7	-72.4	0	0	0	114.5	P66 K67 A70 D776 V777	P66-Y780 WeakPolarHBondContact CB-O 3.45Å; K67-Y780 HydrophobicContact CB-CD2 3.59Å; K67-Y780 HydrophobicContact CB-CE2 4.12Å; K67-Y780 HydrophobicContact CB-CG 4.02Å; K67-Y780 HydrophobicContact CD-CD2 4.41Å; K67-Y780 HydrophobicContact CD-CE2 4.22Å; K67-Y780 HydrophobicContact CG-CD2 3.85Å; K67-Y780 HydrophobicContact CG-CE2 3.82Å; A70-Y780 HydrophobicContact CB-CD1 3.75Å; A70-Y780 HydrophobicContact CB-CE1 4.23Å; D776-Y780 HydrophobicContact CB-CD2 4.3Å; D776-Y780 HydrophobicContact CB-CE2 4.32Å; D776-Y780 WeakPolarHBondContact O-CD2 3.4Å; D776-Y780 PolarHBondContact O-N 3.02Å; V777-Y780 PolarHBondContact O-N 3.29Å
781	H	81	Confident	83.6	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.037	32%	0.321	C	S	.	.	S	Bend	trans	-72.1	143.5	-179.6	-157.5	-70.7	0	0	0	111.6	V777 K783 L789 M790 F791 D795	V777-H781 HydrophobicContact CG1-CB 4.48Å; V777-H781 WeakPolarHBondContact O-CB 2.96Å; V777-H781 PolarHBondContact O-N 2.7Å; H781-K783 PolarHBondContact O-N 3.48Å; H781-L789 HydrophobicContact CB-CD2 3.95Å; H781-M790 PolarHBondContact CE1-O 3.19Å; H781-M790 PolarHBondContact ND1-O 3.17Å; H781-F791 AromaticContact CD2-CD1 3.95Å; H781-F791 AromaticContact CD2-CE1 3.51Å; H781-F791 AromaticContact CE1-CD1 3.86Å; H781-F791 AromaticContact CG-CE1 3.9Å; H781-F791 AromaticContact NE2-CD1 3.59Å; H781-F791 AromaticContact NE2-CE1 3.67Å; H781-D795 IonicContact CE1-OD2 3.4Å; H781-D795 IonicContact NE2-OD2 3.87Å
782	P	77.2	Confident	83	Confident	21 Å²	21	61.9 Å²	61.9	14%	0.136	33%	0.329	C	S	.	.			trans	-50.3	137.7	175.6	-31.3	32.6	0	0	0	114.4	L45 M790	L45-P782 HydrophobicContact CB-CG 3.38Å; L45-P782 HydrophobicContact CD1-CG 3.75Å; L45-P782 HydrophobicContact CG-CG 4.2Å; P782-M790 PolarHBondContact O-N 3.31Å
783	K	80.1	Confident	82.6	Confident	91 Å²	91	69.4 Å²	69.4	40%	0.396	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-120.2	147.1	176.9	-65.5	167.7	-172.6	168.4	0	109.3	T778 H781 I788 L789	T778-K783 WeakPolarHBondContact O-CE 3.38Å; T778-K783 PolarHBondContact O-NZ 2.82Å; H781-K783 PolarHBondContact O-N 3.48Å; K783-I788 CarbonylContact C-O 3.58Å; K783-I788 VanDerWaalsContact CA-O 3.29Å; K783-I788 WeakPolarHBondContact CA-O 3.48Å; K783-L789 HydrophobicContact CD-CD2 4.44Å; K783-L789 HydrophobicContact CG-CD2 3.82Å; K783-L789 HydrophobicContact CG-CG 4.33Å
784	S	78.3	Confident	82.3	Confident	39 Å²	39	73.5 Å²	73.5	27%	0.273	38%	0.382	S	S	.	.			trans	-66.3	169.3	166.8	63.6	0	0	0	0	111.2	K786 G787 I788	S784-K786 PolarHBondContact O-N 3.41Å; S784-G787 PolarHBondContact O-N 3.38Å; S784-I788 PolarHBondContact N-O 2.69Å; S784-I788 WeakPolarHBondContact OG-CB 3.5Å; S784-I788 PolarHBondContact OG-N 2.94Å; S784-I788 PolarHBondContact OG-O 3.13Å
785	D	78.1	Confident	81.8	Confident	177 Å²	177	72.5 Å²	72.5	95%	0.947	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.6	175.5	-56.3	-24	0	0	0	113.4
786	K	80.9	Confident	81.3	Confident	189 Å²	189	78.4 Å²	78.4	82%	0.822	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	6.7	174.9	-63.8	-174	179.1	-178.8	0	113.6	S784 I788	S784-K786 PolarHBondContact O-N 3.41Å; K786-I788 VanDerWaalsContact C-N 3.29Å; K786-I788 HydrophobicContact CB-CD1 4.32Å; K786-I788 HydrophobicContact CB-CG1 4.29Å; K786-I788 PolarHBondContact O-N 3.23Å
787	G	80.4	Confident	81.2	Confident	41 Å²	41	81.5 Å²	81.5	42%	0.423	41%	0.409	S	S	.	.	S	Bend	trans	78.2	4.6	-177.5	0	0	0	0	0	115.2	S784	S784-G787 PolarHBondContact O-N 3.38Å
788	I	82.9	Confident	81.1	Confident	103 Å²	103	84.1 Å²	84.1	53%	0.528	42%	0.417	S	S	.	.			trans	-77.7	127.8	180	-54	171.8	0	0	0	109.6	K783 S784 K786	K783-I788 CarbonylContact C-O 3.58Å; K783-I788 VanDerWaalsContact CA-O 3.29Å; K783-I788 WeakPolarHBondContact CA-O 3.48Å; S784-I788 PolarHBondContact N-O 2.69Å; S784-I788 WeakPolarHBondContact OG-CB 3.5Å; S784-I788 PolarHBondContact OG-N 2.94Å; S784-I788 PolarHBondContact OG-O 3.13Å; K786-I788 VanDerWaalsContact C-N 3.29Å; K786-I788 HydrophobicContact CB-CD1 4.32Å; K786-I788 HydrophobicContact CB-CG1 4.29Å; K786-I788 PolarHBondContact O-N 3.23Å
789	L	82.5	Confident	80.9	Confident	52 Å²	52	82.6 Å²	82.6	27%	0.272	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-62.6	131.3	174.7	-73	163.9	0	0	0	111.4	T778 H781 K783 F791	T778-L789 HydrophobicContact CG2-CD1 3.7Å; H781-L789 HydrophobicContact CB-CD2 3.95Å; K783-L789 HydrophobicContact CD-CD2 4.44Å; K783-L789 HydrophobicContact CG-CD2 3.82Å; K783-L789 HydrophobicContact CG-CG 4.33Å; L789-F791 HydrophobicContact CB-CD2 4.23Å; L789-F791 HydrophobicContact CB-CE2 3.68Å; L789-F791 HydrophobicContact CB-CZ 4.49Å; L789-F791 HydrophobicContact CD1-CE2 4.19Å; L789-F791 HydrophobicContact CG-CE2 4.42Å
790	M	79.2	Confident	80.7	Confident	109 Å²	109	82.2 Å²	82.2	54%	0.537	40%	0.404	S	S	.	.			trans	-108.1	102.7	-176.9	-64.5	-63.1	-62.7	0	0	109.7	H781 P782	H781-M790 PolarHBondContact CE1-O 3.19Å; H781-M790 PolarHBondContact ND1-O 3.17Å; P782-M790 PolarHBondContact O-N 3.31Å
791	F	81.5	Confident	80.7	Confident	88 Å²	88	85.6 Å²	85.6	39%	0.386	43%	0.426	S	S	.	.			trans	-104.5	128.6	173	-64.9	-86.5	0	0	0	110.3	V777 H781 L789 D795 L799	V777-F791 HydrophobicContact CG1-CE1 4.03Å; V777-F791 HydrophobicContact CG1-CZ 4.09Å; H781-F791 AromaticContact CD2-CD1 3.95Å; H781-F791 AromaticContact CD2-CE1 3.51Å; H781-F791 AromaticContact CE1-CD1 3.86Å; H781-F791 AromaticContact CG-CE1 3.9Å; H781-F791 AromaticContact NE2-CD1 3.59Å; H781-F791 AromaticContact NE2-CE1 3.67Å; L789-F791 HydrophobicContact CB-CD2 4.23Å; L789-F791 HydrophobicContact CB-CE2 3.68Å; L789-F791 HydrophobicContact CB-CZ 4.49Å; L789-F791 HydrophobicContact CD1-CE2 4.19Å; L789-F791 HydrophobicContact CG-CE2 4.42Å; F791-D795 HydrophobicContact CD1-CB 4.17Å; F791-L799 HydrophobicContact CD1-CD1 4.18Å; F791-L799 HydrophobicContact CE1-CD1 3.74Å
792	N	81.2	Confident	80.2	Confident	43 Å²	43	86.2 Å²	86.2	23%	0.23	43%	0.432	C	S	.	.			trans	-87.9	171.3	162.4	81.1	63.6	0	0	0	110.7	F56 E794 D795 Y796	F56-N792 WeakPolarHBondContact CE2-ND2 3.3Å; F56-N792 WeakPolarHBondContact CZ-ND2 3.5Å; N792-E794 VanDerWaalsContact C-N 3.29Å; N792-E794 PolarHBondContact O-N 3.39Å; N792-E794 VanDerWaalsContact OD1-CA 3.31Å; N792-E794 WeakPolarHBondContact OD1-CA 3.46Å; N792-E794 WeakPolarHBondContact OD1-CB 3.38Å; N792-E794 PolarHBondContact OD1-N 3.38Å; N792-D795 VanDerWaalsContact CG-OD2 3.24Å; N792-D795 PolarHBondContact N-OD2 3.09Å; N792-D795 PolarHBondContact ND2-OD1 3.24Å; N792-D795 PolarHBondContact ND2-OD2 3.46Å; N792-D795 PolarHBondContact O-N 3.36Å; N792-D795 PolarHBondContact OD1-N 3.07Å; N792-D795 VanDerWaalsContact OD1-N 3.1Å; N792-Y796 PolarHBondContact O-N 2.46Å
793	K	83.5	Confident	79.4	Confident	174 Å²	174	89.1 Å²	89.1	76%	0.757	45%	0.449	S	S	*	.	H	α-helix	trans	-56.4	-41.6	-178.7	-177.8	178.3	177.4	-179.6	0	112.7	L797	K793-L797 HydrophobicContact CG-CD1 4.04Å; K793-L797 WeakPolarHBondContact O-CB 2.96Å; K793-L797 WeakPolarHBondContact O-CG 3.42Å; K793-L797 PolarHBondContact O-N 2.8Å; K793-L797 VanDerWaalsContact O-N 3.07Å
794	E	83	Confident	79.4	Confident	107 Å²	107	89.1 Å²	89.1	50%	0.5	45%	0.452	S	S	.	.	H	α-helix	trans	-70.1	-42.6	178.5	-168.9	178.7	162.9	0	0	112	N792 Y796 L797 R798	N792-E794 VanDerWaalsContact C-N 3.29Å; N792-E794 PolarHBondContact O-N 3.39Å; N792-E794 VanDerWaalsContact OD1-CA 3.31Å; N792-E794 WeakPolarHBondContact OD1-CA 3.46Å; N792-E794 WeakPolarHBondContact OD1-CB 3.38Å; N792-E794 PolarHBondContact OD1-N 3.38Å; E794-Y796 VanDerWaalsContact C-N 3.31Å; E794-Y796 PolarHBondContact O-N 2.82Å; E794-L797 PolarHBondContact O-N 3.48Å; E794-R798 HydrophobicContact CG-CG 4.24Å; E794-R798 WeakPolarHBondContact O-CB 3.2Å; E794-R798 WeakPolarHBondContact O-CG 3.37Å; E794-R798 PolarHBondContact O-N 3.04Å
795	D	78.4	Confident	79.4	Confident	25 Å²	25	91.7 Å²	91.7	13%	0.134	46%	0.461	C	S	.	.	H	α-helix	trans	-56.7	-49.1	175.2	-58.7	-25.8	0	0	0	110.3	H781 F791 N792 L797 R798 L799	H781-D795 IonicContact CE1-OD2 3.4Å; H781-D795 IonicContact NE2-OD2 3.87Å; F791-D795 HydrophobicContact CD1-CB 4.17Å; N792-D795 VanDerWaalsContact CG-OD2 3.24Å; N792-D795 PolarHBondContact N-OD2 3.09Å; N792-D795 PolarHBondContact ND2-OD1 3.24Å; N792-D795 PolarHBondContact ND2-OD2 3.46Å; N792-D795 PolarHBondContact O-N 3.36Å; N792-D795 PolarHBondContact OD1-N 3.07Å; N792-D795 VanDerWaalsContact OD1-N 3.1Å; D795-L797 PolarHBondContact O-N 3.47Å; D795-R798 PolarHBondContact O-N 3.06Å; D795-L799 WeakPolarHBondContact O-CB 3.48Å; D795-L799 WeakPolarHBondContact O-CD1 3.24Å; D795-L799 VanDerWaalsContact O-CG 3.24Å; D795-L799 WeakPolarHBondContact O-CG 3.16Å; D795-L799 PolarHBondContact O-N 3.45Å
796	Y	81.4	Confident	79.5	Confident	148 Å²	148	86.9 Å²	86.9	58%	0.58	43%	0.434	S	S	*	.	H	α-helix	trans	-60	-47.7	179.9	-177.6	-97.3	0	0	0	111.5	N792 E794 S800	N792-Y796 PolarHBondContact O-N 2.46Å; E794-Y796 VanDerWaalsContact C-N 3.31Å; E794-Y796 PolarHBondContact O-N 2.82Å; Y796-S800 WeakPolarHBondContact O-CB 3.45Å; Y796-S800 PolarHBondContact O-N 3.32Å; Y796-S800 PolarHBondContact O-OG 3.27Å
797	L	84.1	Confident	79.4	Confident	85 Å²	85	80.9 Å²	80.9	45%	0.445	41%	0.412	S	S	.	.	H	α-helix	trans	-63.4	-46.2	178.5	-72.2	171.7	0	0	0	111.9	K793 E794 D795 L799 S800 L801	K793-L797 HydrophobicContact CG-CD1 4.04Å; K793-L797 WeakPolarHBondContact O-CB 2.96Å; K793-L797 WeakPolarHBondContact O-CG 3.42Å; K793-L797 PolarHBondContact O-N 2.8Å; K793-L797 VanDerWaalsContact O-N 3.07Å; E794-L797 PolarHBondContact O-N 3.48Å; D795-L797 PolarHBondContact O-N 3.47Å; L797-L799 PolarHBondContact O-N 2.84Å; L797-S800 PolarHBondContact O-N 3.35Å; L797-L801 WeakPolarHBondContact O-CB 3.38Å; L797-L801 WeakPolarHBondContact O-CD1 3.33Å; L797-L801 WeakPolarHBondContact O-CG 3.27Å; L797-L801 PolarHBondContact O-N 2.93Å; L797-L801 VanDerWaalsContact O-N 3.13Å
798	R	81.4	Confident	79.4	Confident	72 Å²	72	83.4 Å²	83.4	27%	0.272	41%	0.411	S	S	.	.	H	α-helix	trans	-63.3	-41.7	-179.1	-74.2	175.3	64.1	-148.2	-8.5	112.1	C62 I64 L690 E794 D795	C62-R798 VanDerWaalsContact O-CZ 3.22Å; C62-R798 PolarHBondContact O-NE 2.96Å; C62-R798 PolarHBondContact O-NH2 3.35Å; I64-R798 PolarHBondContact O-NH2 3.3Å; L690-R798 HydrophobicContact CD1-CB 4.19Å; E794-R798 HydrophobicContact CG-CG 4.24Å; E794-R798 WeakPolarHBondContact O-CB 3.2Å; E794-R798 WeakPolarHBondContact O-CG 3.37Å; E794-R798 PolarHBondContact O-N 3.04Å; D795-R798 PolarHBondContact O-N 3.06Å
799	L	80.5	Confident	79.1	Confident	20 Å²	20	82.1 Å²	82.1	11%	0.105	40%	0.403	C	S	.	.	H	α-helix	trans	-79.2	-29.2	-178.6	-65.1	169.3	0	0	0	113.2	F773 V777 F791 D795 L797 S802	F773-L799 HydrophobicContact CZ-CD2 4.12Å; V777-L799 HydrophobicContact CG1-CD1 3.83Å; V777-L799 HydrophobicContact CG2-CD2 3.96Å; F791-L799 HydrophobicContact CD1-CD1 4.18Å; F791-L799 HydrophobicContact CE1-CD1 3.74Å; D795-L799 WeakPolarHBondContact O-CB 3.48Å; D795-L799 WeakPolarHBondContact O-CD1 3.24Å; D795-L799 VanDerWaalsContact O-CG 3.24Å; D795-L799 WeakPolarHBondContact O-CG 3.16Å; D795-L799 PolarHBondContact O-N 3.45Å; L797-L799 PolarHBondContact O-N 2.84Å; L799-S802 PolarHBondContact O-OG 3.17Å
800	S	79.2	Confident	78.9	Confident	57 Å²	57	84.3 Å²	84.3	40%	0.399	41%	0.413	S	S	.	.	H	α-helix	trans	-76.5	-25.4	176.1	-65.5	0	0	0	0	112.9	Y796 L797	Y796-S800 WeakPolarHBondContact O-CB 3.45Å; Y796-S800 PolarHBondContact O-N 3.32Å; Y796-S800 PolarHBondContact O-OG 3.27Å; L797-S800 PolarHBondContact O-N 3.35Å
801	L	79.4	Confident	78.9	Confident	148 Å²	148	82.4 Å²	82.4	78%	0.775	40%	0.403	S	S	*	.	S	Bend	trans	-85	-9.2	177.8	-69.8	172.5	0	0	0	113.7	L797	L797-L801 WeakPolarHBondContact O-CB 3.38Å; L797-L801 WeakPolarHBondContact O-CD1 3.33Å; L797-L801 WeakPolarHBondContact O-CG 3.27Å; L797-L801 PolarHBondContact O-N 2.93Å; L797-L801 VanDerWaalsContact O-N 3.13Å
802	S	70.3	Confident	78.7	Confident	22 Å²	22	81.9 Å²	81.9	15%	0.154	40%	0.404	C	S	.	.			trans	-89.3	-15.4	-176.8	57.2	0	0	0	0	114.9	S684 F773 L799	S684-S802 VanDerWaalsContact CB-O 3.25Å; S684-S802 WeakPolarHBondContact CB-O 3.29Å; S684-S802 PolarHBondContact OG-O 3.24Å; F773-S802 WeakPolarHBondContact CZ-OG 3.23Å; L799-S802 PolarHBondContact O-OG 3.17Å
803	T	61.7	Low	78.4	Confident	82 Å²	82	85.5 Å²	85.5	50%	0.503	42%	0.42	S	S	.	.			trans	-95.4	0	-177.2	53.4	0	0	0	0	113.9	F773	F773-T803 HydrophobicContact CD1-CG2 3.17Å; F773-T803 HydrophobicContact CE1-CG2 3.39Å; F773-T803 HydrophobicContact CG-CG2 3.97Å; F773-T803 HydrophobicContact CZ-CG2 4.33Å

Retrieved 803 of 803 residues in 1291.1 ms (Link to these results)

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