A0A077ZDV3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZDV3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,010 aa.

						>A0A077ZDV3_TRITR|A0A077ZDV3
MFPENITRSSRAPQGSADNNTDPFPLYIKVLETLSSLWHPLYAMPIKPGMECMPKLGETAYQTTTDNGDGRYNIWQSYSTLSFLRFYCKGADDWEWLIYTTRLMGTYAPPSGLVNAAAPFSDTTRMSTLCAKLRDQNIAEFRQPLYNNRNDSDVQSSSGLLNRSMQCLAQWLAASPPNCYDEDVFVRLIQIGMLVPNIDSMKEDRLTYAVNPEFVGGTFSYGPCSPRHVYRVEAMAMPLDRYVDAYRRSGSDIGEFSVGYWDKSVAVIPVRVSDQGSWLIPYTFAHLTSMIFNAQTPVLSVTRGQTRLDALPLASLSVIPGPQRVLFVLVDAMTSDRLRFWWCGSAHLGVHVPVWNLSGSRPESTSLERLFWDWLNGGSADRDVVIAWKNLAARSQAGSKPLSAITMAAELFTRKFWPKALPSGSASDPGVVDLNNFATKDSATVHDDISPPENANVTEHVVKKPEIEPRDQWVLFWAKPNLHTKRPYSHLAFLNERSGDIAETFWHPTLPTIAPYIVELRNAPQLKLPDDRAVDVFYAVVVESNYNRHFDVVPCASREAAYAFLISGDETDTLISQVEPHAALSCAWKTSMLIKRLRPFDIGRSITAPTLSKCGRWWTETKAASDRIARQCGCPDLYLAYETDLENDSDAVAAFQPLLLCRSSPHMRTWTAEWSRSKSTVRMTKDGDVGRPQMSWNWDTHNLLCDYSVRAGSHLHRVGSALGFNKAHGETPDFFSAKQMGMFVRQVASLAGGLFEVLAAFSGFNASMVMGFYSEIVNGITTLGLDVLWITTFGHISGWEVNRNNWRLLEGLEFPSVLLRGDGHTDWRNVFFGLTPHYEIKILLVKLGIWSDDGWRASDLTTRFGRRGIRINSGDLCLLEMQVGESLSAANRVPRAIFFHYDGQGKWLPREAIAFGGPWQLFDHCAHYSTRCDRLYGSSKAPMEMIAHFGVLVHPICPPRFVQLCSSVSLSALWIDTVVSEGCNCQTEVTSDCVSIAVRPYIVALSKGSR
					

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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	29.9	Very low	27.4	Very low	234 Å²	234	159.8 Å²	159.8	100%	1.153	79%	0.794	S	S	*	*				0	100.3	0	-172.5	176.4	-167.1	0	0	108.1
2	F	36	Very low	27.5	Very low	201 Å²	201	154.2 Å²	154.2	88%	0.882	79%	0.791	S	S	*	*			trans	-80.8	160.6	160.8	-62.5	-76.2	0	0	0	107.6
3	P	29.6	Very low	27.5	Very low	111 Å²	111	150.6 Å²	150.6	72%	0.721	78%	0.784	S	S	*	*			cis	-146.2	-159.4	44.9	49.3	-29.3	0	0	0	112.7
4	E	27.7	Very low	27.3	Very low	150 Å²	150	153.8 Å²	153.8	70%	0.701	79%	0.793	S	S	*	*			cis	-164.3	152	-21.7	-121.7	170.5	-89.7	0	0	111.4
5	N	27.9	Very low	27.1	Very low	128 Å²	128	148.6 Å²	148.6	68%	0.684	79%	0.793	S	S	*	*			trans	58.8	-178.3	152.4	-52.1	-35.7	0	0	0	117.5
6	I	27.9	Very low	26.8	Very low	154 Å²	154	146.4 Å²	146.4	79%	0.79	79%	0.793	S	S	*	*			cis	-133.4	150.3	4.8	-71.5	176.3	0	0	0	112
7	T	25.8	Very low	26.6	Very low	101 Å²	101	143.5 Å²	143.5	62%	0.62	79%	0.793	S	S	*	*			trans	-50.3	170	179.2	69.8	0	0	0	0	122.9
8	R	24.7	Very low	26.6	Very low	236 Å²	236	144.1 Å²	144.1	89%	0.891	80%	0.795	S	S	*	*			trans	73.5	151.5	144.6	-76.9	162.2	-176.9	-178.1	1	117.2
9	S	24.2	Very low	26.5	Very low	98 Å²	98	143.8 Å²	143.8	69%	0.685	79%	0.792	S	S	*	*			cis	-159.5	153.1	16.9	-164.6	0	0	0	0	114.4
10	S	24	Very low	26.4	Very low	95 Å²	95	144.7 Å²	144.7	66%	0.664	80%	0.796	S	S	*	*			trans	38.8	113.4	143.9	62.5	0	0	0	0	122.4
11	R	23.6	Very low	26.4	Very low	250 Å²	250	144.7 Å²	144.7	94%	0.943	80%	0.8	S	S	*	*				178.2	131.3	110.7	-99.5	174.4	-179.5	179	0.5	113.3
12	A	28.9	Very low	26.2	Very low	92 Å²	92	138.5 Å²	138.5	76%	0.76	77%	0.772	S	S	*	*			trans	-97.4	161.6	141.3	0	0	0	0	0	106.6
13	P	26.9	Very low	25.9	Very low	108 Å²	108	133.8 Å²	133.8	70%	0.701	76%	0.761	S	S	*	*			cis	-142.6	-172.8	33.9	44.2	-25.4	0	0	0	116.3
14	Q	24.5	Very low	25.7	Very low	195 Å²	195	134.5 Å²	134.5	91%	0.911	75%	0.753	S	S	*	*			trans	46.5	105	151	-73.6	172.2	-9.1	0	0	118.7
15	G	24.2	Very low	25.7	Very low	76 Å²	76	131.4 Å²	131.4	78%	0.784	75%	0.746	S	S	*	*			trans	-155.1	143.6	163.8	0	0	0	0	0	110.5
16	S	23	Very low	25.8	Very low	114 Å²	114	131.6 Å²	131.6	80%	0.797	75%	0.746	S	S	*	*			trans	-47.4	149.4	178	42.7	0	0	0	0	114.6	D18	S16-D18 PolarHBondContact O-N 3.1Å
17	A	23.7	Very low	25.9	Very low	97 Å²	97	129.2 Å²	129.2	80%	0.802	73%	0.728	S	S	*	*			trans	-60.6	133	168	0	0	0	0	0	110.7
18	D	25.7	Very low	26.2	Very low	153 Å²	153	128.4 Å²	128.4	82%	0.818	72%	0.719	S	S	*	*			trans	-130	131.6	161.9	-127.6	-31.1	0	0	0	108.3	S16	S16-D18 PolarHBondContact O-N 3.1Å
19	N	24.9	Very low	26.6	Very low	140 Å²	140	123.7 Å²	123.7	75%	0.749	71%	0.705	S	S	*	*			trans	-87.4	122.2	-178.2	-55.3	-82.4	0	0	0	108
20	N	25.3	Very low	27.1	Very low	160 Å²	160	122.7 Å²	122.7	86%	0.856	70%	0.695	S	S	*	*			trans	166.8	81.1	148.5	-85.2	-29.7	0	0	0	111.8
21	T	26.4	Very low	27.4	Very low	145 Å²	145	121.8 Å²	121.8	89%	0.89	68%	0.682	S	S	*	*			trans	-121.7	81.5	159.3	29.2	0	0	0	0	108.7	P23	T21-P23 WeakPolarHBondContact O-CD 3.06Å
22	D	26.3	Very low	27.9	Very low	104 Å²	104	115.4 Å²	115.4	56%	0.556	66%	0.663	S	S	*	*			trans	-64.2	120.5	-173.9	-177.3	15.6	0	0	0	112	F24 P25	D22-F24 PolarHBondContact O-N 3.15Å; D22-F24 WeakPolarHBondContact OD1-CD2 3.38Å; D22-F24 PolarHBondContact OD1-N 3.19Å; D22-P25 WeakPolarHBondContact O-CD 3.39Å
23	P	28.1	Very low	28.1	Very low	102 Å²	102	115 Å²	115	66%	0.662	65%	0.651	S	S	*	*	S	Bend	trans	-76.7	-1	-175.7	30.8	-36.9	0	0	0	114.8	T21 L26	T21-P23 WeakPolarHBondContact O-CD 3.06Å; P23-L26 PolarHBondContact O-N 3.14Å
24	F	26.1	Very low	28.2	Very low	127 Å²	127	114.1 Å²	114.1	56%	0.557	64%	0.64	S	S	*	*	H	α-helix	trans	-52.8	-39.3	-179.4	-93.6	-112	0	0	0	116	D22 L26 Y27 I28	D22-F24 PolarHBondContact O-N 3.15Å; D22-F24 WeakPolarHBondContact OD1-CD2 3.38Å; D22-F24 PolarHBondContact OD1-N 3.19Å; F24-L26 VanDerWaalsContact C-N 3.27Å; F24-L26 PolarHBondContact O-N 3.06Å; F24-Y27 PolarHBondContact O-N 2.55Å; F24-Y27 VanDerWaalsContact O-N 3.13Å; F24-I28 PolarHBondContact O-N 3.36Å
25	P	28.7	Very low	28.3	Very low	84 Å²	84	108.2 Å²	108.2	55%	0.545	62%	0.62	S	S	.	*	H	α-helix	trans	-61.9	-30	-176.3	-25.9	35.8	0	0	0	114.6	D22 K29	D22-P25 WeakPolarHBondContact O-CD 3.39Å; P25-K29 WeakPolarHBondContact O-CG 3.39Å; P25-K29 PolarHBondContact O-N 3.01Å
26	L	28.9	Very low	28.5	Very low	132 Å²	132	108.9 Å²	108.9	69%	0.691	61%	0.613	S	S	*	*	H	α-helix	trans	-78.3	-37.6	177.1	-145.1	80	0	0	0	111.2	P23 F24 K29 V30	P23-L26 PolarHBondContact O-N 3.14Å; F24-L26 VanDerWaalsContact C-N 3.27Å; F24-L26 PolarHBondContact O-N 3.06Å; L26-K29 PolarHBondContact O-N 3.46Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 3.45Å
27	Y	29.3	Very low	28.6	Very low	105 Å²	105	109.7 Å²	109.7	41%	0.412	61%	0.608	S	S	.	*	H	α-helix	trans	-67.3	-38.9	178.1	-174	-121.5	0	0	0	112	F24 V30 L31	F24-Y27 PolarHBondContact O-N 2.55Å; F24-Y27 VanDerWaalsContact O-N 3.13Å; Y27-V30 PolarHBondContact O-N 2.89Å; Y27-L31 HydrophobicContact CD1-CD1 3.94Å; Y27-L31 HydrophobicContact CE1-CD1 3.6Å; Y27-L31 HydrophobicContact CE2-CD1 4.22Å; Y27-L31 HydrophobicContact CE2-CG 4.47Å; Y27-L31 HydrophobicContact CG-CD1 4.39Å; Y27-L31 WeakPolarHBondContact O-CB 3.18Å; Y27-L31 WeakPolarHBondContact O-CG 3.32Å; Y27-L31 PolarHBondContact O-N 3.27Å
28	I	33.1	Very low	28.6	Very low	83 Å²	83	114.4 Å²	114.4	43%	0.426	61%	0.605	S	S	.	*	H	α-helix	trans	-61.9	-50.6	172.3	-68.6	173	0	0	0	110.2	F24 V30 L31 E32	F24-I28 PolarHBondContact O-N 3.36Å; I28-V30 VanDerWaalsContact C-N 3.31Å; I28-V30 PolarHBondContact O-N 2.91Å; I28-L31 CarbonylContact O-C 3.55Å; I28-L31 PolarHBondContact O-N 2.95Å; I28-E32 HydrophobicContact CG2-CG 4.09Å; I28-E32 WeakPolarHBondContact O-CG 3.34Å; I28-E32 PolarHBondContact O-N 3.31Å
29	K	32.7	Very low	28.5	Very low	138 Å²	138	114.7 Å²	114.7	60%	0.6	60%	0.601	S	S	*	*	H	α-helix	trans	-60	-36.4	179	-76.6	-176.2	176.2	-175.4	0	114.3	P25 L26 E32 T33	P25-K29 WeakPolarHBondContact O-CG 3.39Å; P25-K29 PolarHBondContact O-N 3.01Å; L26-K29 PolarHBondContact O-N 3.46Å; K29-E32 WeakPolarHBondContact CA-OE2 3.35Å; K29-T33 WeakPolarHBondContact O-CB 3.33Å; K29-T33 PolarHBondContact O-N 3.43Å; K29-T33 PolarHBondContact O-OG1 3.37Å
30	V	33.9	Very low	28.4	Very low	77 Å²	77	114.1 Å²	114.1	47%	0.467	61%	0.605	S	S	.	*	H	α-helix	trans	-69.7	-39.5	174.9	171.3	0	0	0	0	111.1	L26 Y27 I28 T33 L34	L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 3.45Å; Y27-V30 PolarHBondContact O-N 2.89Å; I28-V30 VanDerWaalsContact C-N 3.31Å; I28-V30 PolarHBondContact O-N 2.91Å; V30-T33 PolarHBondContact O-N 3.1Å; V30-L34 HydrophobicContact CG1-CD1 3.96Å; V30-L34 WeakPolarHBondContact O-CB 3.36Å; V30-L34 WeakPolarHBondContact O-CG 3.43Å; V30-L34 PolarHBondContact O-N 2.92Å
31	L	32.2	Very low	28.2	Very low	76 Å²	76	112.9 Å²	112.9	40%	0.398	60%	0.597	S	S	.	*	H	α-helix	trans	-67.7	-39.8	173.7	-77.7	169.8	0	0	0	112.8	Y27 I28 T33 L34 S35	Y27-L31 HydrophobicContact CD1-CD1 3.94Å; Y27-L31 HydrophobicContact CE1-CD1 3.6Å; Y27-L31 HydrophobicContact CE2-CD1 4.22Å; Y27-L31 HydrophobicContact CE2-CG 4.47Å; Y27-L31 HydrophobicContact CG-CD1 4.39Å; Y27-L31 WeakPolarHBondContact O-CB 3.18Å; Y27-L31 WeakPolarHBondContact O-CG 3.32Å; Y27-L31 PolarHBondContact O-N 3.27Å; I28-L31 CarbonylContact O-C 3.55Å; I28-L31 PolarHBondContact O-N 2.95Å; L31-T33 VanDerWaalsContact C-N 3.35Å; L31-L34 PolarHBondContact O-N 2.94Å; L31-S35 VanDerWaalsContact O-CB 3.27Å; L31-S35 WeakPolarHBondContact O-CB 3.41Å; L31-S35 PolarHBondContact O-N 2.87Å; L31-S35 PolarHBondContact O-OG 3.08Å
32	E	34.2	Very low	28	Very low	115 Å²	115	115.9 Å²	115.9	54%	0.537	59%	0.594	S	S	.	*	H	α-helix	trans	-60.6	-44.4	172.7	-71.9	170.8	152.5	0	0	110.7	I28 K29 S35 S36	I28-E32 HydrophobicContact CG2-CG 4.09Å; I28-E32 WeakPolarHBondContact O-CG 3.34Å; I28-E32 PolarHBondContact O-N 3.31Å; K29-E32 WeakPolarHBondContact CA-OE2 3.35Å; E32-S35 PolarHBondContact O-N 2.95Å; E32-S36 WeakPolarHBondContact O-CB 3.46Å; E32-S36 PolarHBondContact O-N 2.97Å
33	T	31.4	Very low	27.8	Very low	84 Å²	84	115.3 Å²	115.3	52%	0.515	60%	0.604	S	S	.	*	H	α-helix	trans	-61.7	-47.5	176.2	-56.2	0	0	0	0	111.3	K29 V30 L31 S35 S36 L37	K29-T33 WeakPolarHBondContact O-CB 3.33Å; K29-T33 PolarHBondContact O-N 3.43Å; K29-T33 PolarHBondContact O-OG1 3.37Å; V30-T33 PolarHBondContact O-N 3.1Å; L31-T33 VanDerWaalsContact C-N 3.35Å; T33-S35 VanDerWaalsContact C-N 3.32Å; T33-S35 PolarHBondContact O-N 2.87Å; T33-S36 PolarHBondContact O-N 3.45Å; T33-S36 PolarHBondContact O-OG 3.26Å; T33-L37 PolarHBondContact O-N 3.35Å
34	L	30.5	Very low	27.6	Very low	89 Å²	89	119 Å²	119	47%	0.466	61%	0.614	S	S	.	*	H	α-helix	trans	-67.6	-30	177.2	-70.4	168.2	0	0	0	112.9	V30 L31 L37	V30-L34 HydrophobicContact CG1-CD1 3.96Å; V30-L34 WeakPolarHBondContact O-CB 3.36Å; V30-L34 WeakPolarHBondContact O-CG 3.43Å; V30-L34 PolarHBondContact O-N 2.92Å; L31-L34 PolarHBondContact O-N 2.94Å; L34-L37 HydrophobicContact CD2-CD1 4.45Å
35	S	26.8	Very low	27.5	Very low	71 Å²	71	118 Å²	118	50%	0.497	62%	0.621	S	S	.	*	H	α-helix	trans	-72.4	-37.5	173.8	-57.1	0	0	0	0	111.6	L31 E32 T33 L37 W38	L31-S35 VanDerWaalsContact O-CB 3.27Å; L31-S35 WeakPolarHBondContact O-CB 3.41Å; L31-S35 PolarHBondContact O-N 2.87Å; L31-S35 PolarHBondContact O-OG 3.08Å; E32-S35 PolarHBondContact O-N 2.95Å; T33-S35 VanDerWaalsContact C-N 3.32Å; T33-S35 PolarHBondContact O-N 2.87Å; S35-L37 PolarHBondContact O-N 3.13Å; S35-W38 PolarHBondContact O-N 3.27Å
36	S	27.7	Very low	27.2	Very low	90 Å²	90	121.2 Å²	121.2	63%	0.629	63%	0.632	S	S	*	*	H	α-helix	trans	-65.4	-22.3	177.9	76.6	0	0	0	0	113.3	E32 T33 W38	E32-S36 WeakPolarHBondContact O-CB 3.46Å; E32-S36 PolarHBondContact O-N 2.97Å; T33-S36 PolarHBondContact O-N 3.45Å; T33-S36 PolarHBondContact O-OG 3.26Å; S36-W38 VanDerWaalsContact C-N 3.27Å; S36-W38 PolarHBondContact O-N 2.63Å
37	L	25.3	Very low	26.9	Very low	132 Å²	132	124 Å²	124	69%	0.691	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-6.5	172	-70.9	166.1	0	0	0	113.8	T33 L34 S35	T33-L37 PolarHBondContact O-N 3.35Å; L34-L37 HydrophobicContact CD2-CD1 4.45Å; S35-L37 PolarHBondContact O-N 3.13Å
38	W	23.6	Very low	26.6	Very low	196 Å²	196	125.2 Å²	125.2	74%	0.742	66%	0.659	S	S	*	*	S	Bend	trans	-126.7	15.9	-165.2	-122.1	-59.4	0	0	0	115.7	S35 S36	S35-W38 PolarHBondContact O-N 3.27Å; S36-W38 VanDerWaalsContact C-N 3.27Å; S36-W38 PolarHBondContact O-N 2.63Å
39	H	22.7	Very low	26.1	Very low	159 Å²	159	123.7 Å²	123.7	74%	0.736	66%	0.664	S	S	*	*			trans	-123.1	114.3	175	-88.3	29.4	0	0	0	112.1	L41	H39-L41 PolarHBondContact O-N 2.82Å; H39-L41 VanDerWaalsContact O-N 3.08Å
40	P	23.1	Very low	25.7	Very low	128 Å²	128	126.5 Å²	126.5	83%	0.831	68%	0.682	S	S	*	*			trans	-87.5	71.9	-173.8	35.4	-35.9	0	0	0	112.3
41	L	20.6	Very low	25.2	Very low	133 Å²	133	131.7 Å²	131.7	70%	0.696	70%	0.701	S	S	*	*			trans	-165.9	138.5	164.8	-105.2	155.5	0	0	0	110.8	H39	H39-L41 PolarHBondContact O-N 2.82Å; H39-L41 VanDerWaalsContact O-N 3.08Å
42	Y	22.1	Very low	24.7	Very low	208 Å²	208	133.8 Å²	133.8	82%	0.816	72%	0.72	S	S	*	*	S	Bend	trans	73.8	107.7	174	-53.4	-71.5	0	0	0	120.1
43	A	22.3	Very low	24	Very low	93 Å²	93	136.2 Å²	136.2	77%	0.769	73%	0.734	S	S	*	*			trans	61.4	108	135.2	0	0	0	0	0	121.4
44	M	23.8	Very low	23.6	Very low	178 Å²	178	137.9 Å²	137.9	88%	0.877	75%	0.746	S	S	*	*			trans	-54.1	147.3	141.4	-131.4	-167.6	-163.6	0	0	109.7
45	P	23.9	Very low	23.2	Very low	107 Å²	107	143.3 Å²	143.3	70%	0.695	77%	0.766	S	S	*	*				-148.5	166.7	80.1	39.8	-23.8	0	0	0	115.5
46	I	23.3	Very low	23	Very low	152 Å²	152	148.5 Å²	148.5	78%	0.779	79%	0.787	S	S	*	*				-174.5	140	119.5	-92.3	153.4	0	0	0	108.2
47	K	22	Very low	22.6	Very low	190 Å²	190	146.9 Å²	146.9	83%	0.826	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-77.4	131	-179.2	-63	171.8	179.3	175.4	0	110.8	G49	K47-G49 PolarHBondContact O-N 2.78Å
48	P	23.3	Very low	22.4	Very low	130 Å²	130	149.6 Å²	149.6	84%	0.844	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-65.3	118.2	153.7	-14	29.6	0	0	0	108.4
49	G	23.1	Very low	22.3	Very low	52 Å²	52	145.8 Å²	145.8	54%	0.536	79%	0.793	S	S	.	*	P	Polyproline II helix	trans	-74.1	149.5	178.9	0	0	0	0	0	112.5	K47 E51	K47-G49 PolarHBondContact O-N 2.78Å; G49-E51 PolarHBondContact O-N 3.18Å
50	M	23.8	Very low	22.2	Very low	197 Å²	197	143.2 Å²	143.2	97%	0.97	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-8	-179	-72.2	179.8	167.8	0	0	114.9
51	E	23.2	Very low	22.1	Very low	186 Å²	186	146.6 Å²	146.6	87%	0.869	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-7.8	-169.6	-58	-172.1	161.8	0	0	114.5	G49 M53	G49-E51 PolarHBondContact O-N 3.18Å; E51-M53 PolarHBondContact O-N 2.85Å
52	C	22.3	Very low	22.2	Very low	119 Å²	119	149.4 Å²	149.4	80%	0.804	81%	0.806	S	S	*	*			trans	-100.2	43.8	-173.5	-68.6	0	0	0	0	113.8
53	M	20	Very low	22.1	Very low	166 Å²	166	144 Å²	144	82%	0.818	79%	0.794	S	S	*	*			trans	-110.2	105.9	176.4	-168.1	178.2	-169.3	0	0	110.6	E51 K55	E51-M53 PolarHBondContact O-N 2.85Å; M53-K55 PolarHBondContact O-N 2.86Å; M53-K55 VanDerWaalsContact O-N 3.14Å
54	P	21.9	Very low	22.1	Very low	120 Å²	120	145.3 Å²	145.3	78%	0.779	79%	0.793	S	S	*	*			trans	-65.1	113.9	173.9	-18.8	32	0	0	0	110.1	L56	P54-L56 PolarHBondContact O-N 3Å
55	K	21.7	Very low	22	Very low	202 Å²	202	141.8 Å²	141.8	88%	0.878	78%	0.782	S	S	*	*			trans	-69.4	114.9	167.7	-71.8	-175.1	178.2	-180	0	109	M53	M53-K55 PolarHBondContact O-N 2.86Å; M53-K55 VanDerWaalsContact O-N 3.14Å
56	L	22.8	Very low	21.9	Very low	181 Å²	181	143.7 Å²	143.7	95%	0.948	79%	0.786	S	S	*	*			trans	-105.1	88.4	152	-83.7	167.5	0	0	0	107.7	P54	P54-L56 PolarHBondContact O-N 3Å
57	G	19.9	Very low	22	Very low	56 Å²	56	144.3 Å²	144.3	58%	0.577	79%	0.791	S	S	*	*			trans	-115	-173	160.4	0	0	0	0	0	109.1
58	E	20.8	Very low	22	Very low	189 Å²	189	139.2 Å²	139.2	88%	0.883	79%	0.793	S	S	*	*			trans	68.1	135.4	-179.1	-59.6	177.4	-168.1	0	0	115.4
59	T	20.9	Very low	22.1	Very low	116 Å²	116	138.2 Å²	138.2	71%	0.712	78%	0.78	S	S	*	*			cis	-165.7	129.8	-41.3	5	0	0	0	0	106.3
60	A	22.3	Very low	22.1	Very low	104 Å²	104	139.1 Å²	139.1	86%	0.86	79%	0.79	S	S	*	*			trans	-127.5	105.1	166.5	0	0	0	0	0	108.5
61	Y	19.7	Very low	22	Very low	199 Å²	199	138.2 Å²	138.2	78%	0.78	78%	0.775	S	S	*	*			trans	-72.2	130.7	172.6	-94	-113.5	0	0	0	109.5	T63	Y61-T63 HydrophobicContact CD1-CG2 3.97Å; Y61-T63 HydrophobicContact CE1-CG2 4.33Å
62	Q	22.4	Very low	22	Very low	192 Å²	192	139.5 Å²	139.5	90%	0.897	77%	0.774	S	S	*	*			trans	-140	80.1	148.8	-144.6	168.5	9.7	0	0	109.8
63	T	21.4	Very low	22.1	Very low	94 Å²	94	140.3 Å²	140.3	58%	0.577	77%	0.77	S	S	*	*			trans	-72.9	148.6	163.9	44.9	0	0	0	0	109.8	Y61	Y61-T63 HydrophobicContact CD1-CG2 3.97Å; Y61-T63 HydrophobicContact CE1-CG2 4.33Å
64	T	21.9	Very low	22.2	Very low	121 Å²	121	139.2 Å²	139.2	74%	0.742	77%	0.766	S	S	*	*			trans	68.7	144.9	179.3	70.4	0	0	0	0	114.3
65	T	21.7	Very low	22.2	Very low	105 Å²	105	145.3 Å²	145.3	64%	0.644	77%	0.774	S	S	*	*			cis	-153.6	135	5.2	-2.1	0	0	0	0	111.4	N67	T65-N67 PolarHBondContact O-N 3.02Å
66	D	22.7	Very low	22.2	Very low	147 Å²	147	145.3 Å²	145.3	79%	0.786	78%	0.777	S	S	*	*			trans	42.7	64.3	133.9	-50.3	-10.1	0	0	0	119.6
67	N	24.8	Very low	22.1	Very low	165 Å²	165	140.4 Å²	140.4	88%	0.882	76%	0.758	S	S	*	*			trans	-157.3	90.9	148.7	-98.1	-48.8	0	0	0	110.4	T65 D69	T65-N67 PolarHBondContact O-N 3.02Å; N67-D69 PolarHBondContact O-N 2.9Å
68	G	22.5	Very low	22.2	Very low	83 Å²	83	147.9 Å²	147.9	86%	0.856	77%	0.77	S	S	*	*			trans	-89.7	48.8	-161.8	0	0	0	0	0	117.4	G70	G68-G70 PolarHBondContact O-N 2.8Å; G68-G70 VanDerWaalsContact O-N 3.11Å
69	D	23.9	Very low	22.3	Very low	108 Å²	108	145 Å²	145	58%	0.578	77%	0.771	S	S	*	*			trans	-80.2	90.2	178.4	-105.8	71.9	0	0	0	112.1	N67 R71	N67-D69 PolarHBondContact O-N 2.9Å; D69-R71 HydrophobicContact CB-CG 4.48Å; D69-R71 PolarHBondContact O-N 3.16Å; D69-R71 IonicContact OD2-CZ 3.27Å; D69-R71 IonicContact OD2-NE 2.73Å; D69-R71 PolarHBondContact OD2-NE 3.15Å; D69-R71 IonicContact OD2-NH2 2.93Å; D69-R71 PolarHBondContact OD2-NH2 3.26Å
70	G	23	Very low	22.3	Very low	72 Å²	72	144.3 Å²	144.3	74%	0.742	77%	0.767	S	S	*	*			trans	-69.3	48	-173.3	0	0	0	0	0	117.1	G68 Y72	G68-G70 PolarHBondContact O-N 2.8Å; G68-G70 VanDerWaalsContact O-N 3.11Å; G70-Y72 PolarHBondContact O-N 2.92Å
71	R	23.1	Very low	22.4	Very low	177 Å²	177	145 Å²	145	67%	0.668	76%	0.755	S	S	*	*			trans	-90.4	55.1	-169.6	-56.4	-171.2	-169.5	-162	4.9	114.8	D69	D69-R71 HydrophobicContact CB-CG 4.48Å; D69-R71 PolarHBondContact O-N 3.16Å; D69-R71 IonicContact OD2-CZ 3.27Å; D69-R71 IonicContact OD2-NE 2.73Å; D69-R71 PolarHBondContact OD2-NE 3.15Å; D69-R71 IonicContact OD2-NH2 2.93Å; D69-R71 PolarHBondContact OD2-NH2 3.26Å
72	Y	22.7	Very low	22.4	Very low	213 Å²	213	139.6 Å²	139.6	84%	0.835	75%	0.746	S	S	*	*			trans	-130.7	67.3	174.2	-82.6	-77.9	0	0	0	113.1	G70	G70-Y72 PolarHBondContact O-N 2.92Å
73	N	23.6	Very low	22.5	Very low	137 Å²	137	136.6 Å²	136.6	73%	0.733	73%	0.731	S	S	*	*			trans	-110.7	68.4	172.6	-76.1	-20.6	0	0	0	112
74	I	22.4	Very low	22.5	Very low	143 Å²	143	138.9 Å²	138.9	73%	0.733	74%	0.739	S	S	*	*				39.5	105	128.2	-48.6	163	0	0	0	116.7
75	W	22.2	Very low	22.7	Very low	247 Å²	247	139.5 Å²	139.5	94%	0.936	73%	0.727	S	S	*	*			trans	173	43.8	135.3	-104.6	75.4	0	0	0	110.6
76	Q	21.3	Very low	22.7	Very low	202 Å²	202	142.4 Å²	142.4	94%	0.944	73%	0.731	S	S	*	*			trans	-126.4	27.6	-178.2	-82.9	-170	-27.4	0	0	114.2
77	S	21.1	Very low	22.8	Very low	79 Å²	79	144.4 Å²	144.4	55%	0.552	73%	0.729	S	S	*	*			trans	-135.1	142.7	166.5	54.4	0	0	0	0	107.2
78	Y	22.9	Very low	22.7	Very low	213 Å²	213	141.6 Å²	141.6	84%	0.835	72%	0.721	S	S	*	*			cis	-141.6	144.4	26.9	-60.5	-99.6	0	0	0	112
79	S	21.5	Very low	22.7	Very low	128 Å²	128	146.2 Å²	146.2	90%	0.895	72%	0.718	S	S	*	*			trans	-155.5	32	162.4	44.6	0	0	0	0	113.5
80	T	22	Very low	22.8	Very low	102 Å²	102	145 Å²	145	63%	0.626	73%	0.731	S	S	*	*	S	Bend	trans	-125.3	122.4	166.5	2.2	0	0	0	0	108	S82	T80-S82 PolarHBondContact O-N 3.06Å
81	L	23	Very low	22.8	Very low	118 Å²	118	144.4 Å²	144.4	62%	0.618	72%	0.719	S	S	*	*			trans	-78.6	88.7	178.1	-82.8	168.2	0	0	0	110.3	T101	L81-T101 HydrophobicContact CD2-CG2 4.49Å
82	S	21.4	Very low	23	Very low	85 Å²	85	143 Å²	143	59%	0.594	73%	0.725	S	S	*	*			trans	-69	125.6	169.1	-54.8	0	0	0	0	110.5	T80 L84	T80-S82 PolarHBondContact O-N 3.06Å; S82-L84 PolarHBondContact O-N 2.83Å
83	F	23.5	Very low	23	Very low	129 Å²	129	139.9 Å²	139.9	57%	0.566	72%	0.722	S	S	*	*			trans	-77.9	107.1	179.4	-68.5	-80.9	0	0	0	111.3	R85	F83-R85 PolarHBondContact O-N 2.88Å; F83-R85 VanDerWaalsContact O-N 3.1Å
84	L	22.2	Very low	23	Very low	142 Å²	142	144.3 Å²	144.3	74%	0.743	73%	0.729	S	S	*	*			trans	-82.2	91.5	178.5	-132.3	168.1	0	0	0	110.3	S82 F86	S82-L84 PolarHBondContact O-N 2.83Å; L84-F86 HydrophobicContact CD2-CE1 4.09Å; L84-F86 HydrophobicContact CD2-CE2 4.29Å; L84-F86 HydrophobicContact CD2-CZ 3.83Å
85	R	24.2	Very low	23.1	Very low	135 Å²	135	144.6 Å²	144.6	51%	0.509	73%	0.727	S	S	.	*			trans	-94.9	118.7	-174.1	-148.1	176.9	-167.8	156.7	4.9	111.3	F83	F83-R85 PolarHBondContact O-N 2.88Å; F83-R85 VanDerWaalsContact O-N 3.1Å
86	F	22.5	Very low	23.2	Very low	166 Å²	166	141.6 Å²	141.6	73%	0.728	72%	0.716	S	S	*	*			trans	-92.9	135	176.3	-60.6	-81.3	0	0	0	111.4	L84	L84-F86 HydrophobicContact CD2-CE1 4.09Å; L84-F86 HydrophobicContact CD2-CE2 4.29Å; L84-F86 HydrophobicContact CD2-CZ 3.83Å
87	Y	24.6	Very low	23.3	Very low	189 Å²	189	138.3 Å²	138.3	74%	0.741	70%	0.704	S	S	*	*			trans	-99	102.1	173.1	172	-106.5	0	0	0	110.1	K89	Y87-K89 HydrophobicContact CD1-CB 4.35Å; Y87-K89 HydrophobicContact CE1-CB 3.71Å; Y87-K89 HydrophobicContact CE1-CD 4.01Å; Y87-K89 HydrophobicContact CE1-CG 3.91Å
88	C	23.1	Very low	23.5	Very low	106 Å²	106	140 Å²	140	72%	0.716	71%	0.706	S	S	*	*			trans	-89.7	103.5	175	-72.5	0	0	0	0	110.4	G90	C88-G90 PolarHBondContact O-N 3.09Å
89	K	22.2	Very low	23.4	Very low	179 Å²	179	138.4 Å²	138.4	78%	0.778	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	84.3	-177.5	-163.6	175.4	-162.2	176.4	0	111.5	Y87	Y87-K89 HydrophobicContact CD1-CB 4.35Å; Y87-K89 HydrophobicContact CE1-CB 3.71Å; Y87-K89 HydrophobicContact CE1-CD 4.01Å; Y87-K89 HydrophobicContact CE1-CG 3.91Å
90	G	25.8	Very low	23.5	Very low	83 Å²	83	137.1 Å²	137.1	86%	0.856	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	159.4	12.7	175.8	0	0	0	0	0	118	C88	C88-G90 PolarHBondContact O-N 3.09Å
91	A	24.3	Very low	23.5	Very low	60 Å²	60	136.5 Å²	136.5	50%	0.496	68%	0.683	S	S	.	*	S	Bend	trans	-111.4	148.8	170.6	0	0	0	0	0	110
92	D	25.8	Very low	23.5	Very low	146 Å²	146	133.4 Å²	133.4	78%	0.781	66%	0.663	S	S	*	*			trans	-68.3	156.3	-179.8	-66.3	-57.1	0	0	0	112.3	W94	D92-W94 PolarHBondContact O-N 2.74Å
93	D	24.5	Very low	23.5	Very low	148 Å²	148	132.4 Å²	132.4	79%	0.791	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	10.6	-159.4	-68.9	-54.6	0	0	0	118.6
94	W	23.6	Very low	23.4	Very low	231 Å²	231	129.4 Å²	129.4	88%	0.875	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	-13.5	-171.4	-66	75	0	0	0	114.9	D92 W96	D92-W94 PolarHBondContact O-N 2.74Å; W94-W96 PolarHBondContact O-N 3.14Å
95	E	23.2	Very low	23.4	Very low	148 Å²	148	126.1 Å²	126.1	69%	0.692	64%	0.64	S	S	*	*			trans	-93.8	91	-174.8	-63.5	-158.6	135.6	0	0	113.7
96	W	24.6	Very low	23.3	Very low	184 Å²	184	124.3 Å²	124.3	70%	0.697	64%	0.644	S	S	*	*			trans	-106.5	104.6	176.7	-68.2	90.2	0	0	0	112.6	W94 I98	W94-W96 PolarHBondContact O-N 3.14Å; W96-I98 PolarHBondContact O-N 2.78Å
97	L	23.2	Very low	23.2	Very low	134 Å²	134	124.9 Å²	124.9	70%	0.702	64%	0.642	S	S	*	*			trans	-71.6	112.1	175.2	-74.8	165.1	0	0	0	111.8
98	I	24.6	Very low	23.2	Very low	113 Å²	113	120.1 Å²	120.1	58%	0.579	64%	0.642	S	S	*	*			trans	-94.3	102.9	168.6	-57.2	177.9	0	0	0	108.9	W96 T100 M201	W96-I98 PolarHBondContact O-N 2.78Å; I98-T100 HydrophobicContact CG2-CG2 3.98Å; I98-T100 PolarHBondContact O-N 2.7Å; I98-M201 HydrophobicContact CG2-CE 3.67Å
99	Y	22.4	Very low	23.1	Very low	181 Å²	181	118.7 Å²	118.7	71%	0.71	63%	0.632	S	S	*	*			trans	-77.7	112.1	166.6	-92.5	-95.8	0	0	0	109.9
100	T	23.9	Very low	23.2	Very low	101 Å²	101	116.4 Å²	116.4	62%	0.62	64%	0.635	S	S	*	*			trans	-104.6	128.4	162.8	64.7	0	0	0	0	109	I98 R102	I98-T100 HydrophobicContact CG2-CG2 3.98Å; I98-T100 PolarHBondContact O-N 2.7Å; T100-R102 PolarHBondContact O-N 2.72Å
101	T	21.4	Very low	23.1	Very low	89 Å²	89	117.3 Å²	117.3	55%	0.546	63%	0.628	S	S	.	*			trans	-81.1	56.6	-176.5	35.2	0	0	0	0	112.6	L81	L81-T101 HydrophobicContact CD2-CG2 4.49Å
102	R	22.6	Very low	23.1	Very low	52 Å²	52	117.5 Å²	117.5	20%	0.196	64%	0.636	C	S	.	*	S	Bend	trans	-125.8	68.1	160.9	-83.2	173.6	137.1	-156.2	-2.2	110.2	T100 M104 D183 G763 F764 N765 M768	T100-R102 PolarHBondContact O-N 2.72Å; R102-M104 VanDerWaalsContact C-N 3.33Å; R102-M104 PolarHBondContact O-N 2.58Å; R102-D183 IonicContact NH1-OD1 2.65Å; R102-G763 PolarHBondContact NH2-O 3.34Å; R102-F764 VanDerWaalsContact NH2-C 3.28Å; R102-F764 PolarHBondContact NH2-O 3.02Å; R102-N765 HydrophobicContact CB-CB 3.9Å; R102-N765 VanDerWaalsContact CB-ND2 3.32Å; R102-N765 WeakPolarHBondContact CB-ND2 3.4Å; R102-N765 HydrophobicContact CG-CB 3.97Å; R102-N765 VanDerWaalsContact CZ-CA 3.45Å; R102-M768 VanDerWaalsContact C-CG 3.47Å; R102-M768 HydrophobicContact CB-CG 4.21Å; R102-M768 HydrophobicContact CB-SD 3.74Å; R102-M768 HydrophobicContact CG-SD 4.15Å; R102-M768 WeakPolarHBondContact O-CG 3.2Å
103	L	21.5	Very low	23	Very low	65 Å²	65	118.9 Å²	118.9	34%	0.34	64%	0.643	S	S	.	*	S	Bend		77.7	-15.1	125.1	-80.4	166.5	0	0	0	120.3	L750 L754 M768	L103-L750 HydrophobicContact CD1-CD1 4.29Å; L103-L750 HydrophobicContact CD2-CD1 3.79Å; L103-L754 HydrophobicContact CD1-CD1 4.25Å; L103-M768 HydrophobicContact CB-CE 3.83Å; L103-M768 HydrophobicContact CB-SD 4.28Å
104	M	22	Very low	23.1	Very low	65 Å²	65	118.4 Å²	118.4	32%	0.32	65%	0.645	S	S	.	*	S	Bend	trans	-156.2	138.7	167.5	-84.3	-145.2	64.5	0	0	111.4	R102 T106 F772 E775	R102-M104 VanDerWaalsContact C-N 3.33Å; R102-M104 PolarHBondContact O-N 2.58Å; M104-T106 PolarHBondContact O-N 2.76Å; M104-F772 HydrophobicContact CG-CD2 4.08Å; M104-F772 VanDerWaalsContact SD-CA 3.56Å; M104-F772 HydrophobicContact SD-CB 4.04Å; M104-F772 HydrophobicContact SD-CD2 3.48Å; M104-F772 WeakPolarHBondContact SD-CD2 3.36Å; M104-F772 HydrophobicContact SD-CE2 4.28Å; M104-F772 HydrophobicContact SD-CG 4.03Å; M104-F772 PolarHBondContact SD-N 2.95Å; M104-E775 HydrophobicContact CE-CG 4.3Å
105	G	21	Very low	23.2	Very low	74 Å²	74	112.9 Å²	112.9	76%	0.763	63%	0.632	S	S	*	*			trans	-78.5	113.7	178.8	0	0	0	0	0	112.3
106	T	22.3	Very low	23.3	Very low	97 Å²	97	109.2 Å²	109.2	60%	0.595	63%	0.627	S	S	*	*			trans	-102.3	111.6	136.7	46.1	0	0	0	0	108.3	M104 A108	M104-T106 PolarHBondContact O-N 2.76Å; T106-A108 PolarHBondContact O-N 2.77Å
107	Y	21.5	Very low	23.2	Very low	177 Å²	177	104.5 Å²	104.5	69%	0.694	63%	0.628	S	S	*	*			trans	-44	123.1	149.4	-127.8	-100.7	0	0	0	107.1	P109	Y107-P109 HydrophobicContact CD1-CG 4.49Å; Y107-P109 WeakPolarHBondContact O-CD 3.35Å
108	A	23.7	Very low	23.3	Very low	90 Å²	90	101.1 Å²	101.1	74%	0.744	62%	0.619	S	S	*	*			trans	-93.9	98.6	156.4	0	0	0	0	0	105.1	T106	T106-A108 PolarHBondContact O-N 2.77Å
109	P	22	Very low	23.2	Very low	75 Å²	75	101.2 Å²	101.2	49%	0.487	63%	0.627	S	S	.	*			trans	-62.4	155.1	169.4	-10.4	26.9	0	0	0	108	Y107 S111	Y107-P109 HydrophobicContact CD1-CG 4.49Å; Y107-P109 WeakPolarHBondContact O-CD 3.35Å; P109-S111 PolarHBondContact O-N 3.12Å
110	P	22.6	Very low	23.4	Very low	131 Å²	131	100.2 Å²	100.2	85%	0.851	63%	0.627	S	S	*	*			trans	-70.3	63.3	163.9	31.4	-34.8	0	0	0	110.2	G112	P110-G112 PolarHBondContact O-N 3.01Å
111	S	24.2	Very low	23.4	Very low	102 Å²	102	99.4 Å²	99.4	71%	0.713	63%	0.625	S	S	*	*			trans	-71.1	99.8	172.3	56.8	0	0	0	0	108.2	P109	P109-S111 PolarHBondContact O-N 3.12Å
112	G	24.3	Very low	23.5	Very low	64 Å²	64	103.6 Å²	103.6	66%	0.66	64%	0.644	S	S	*	*			trans	-61.4	170.2	-173	0	0	0	0	0	114.7	P110 V114	P110-G112 PolarHBondContact O-N 3.01Å; G112-V114 PolarHBondContact O-N 3.42Å
113	L	24.1	Very low	23.7	Very low	176 Å²	176	105.3 Å²	105.3	92%	0.921	66%	0.66	S	S	*	*			trans	-14	111.2	171.9	-73.1	157.3	0	0	0	114.1	N115	L113-N115 VanDerWaalsContact C-N 3.33Å; L113-N115 PolarHBondContact O-N 2.94Å
114	V	26.3	Very low	23.9	Very low	138 Å²	138	107.8 Å²	107.8	84%	0.836	68%	0.678	S	S	*	*			trans	-64	93.9	174.7	179.8	0	0	0	0	108.8	G112 A116	G112-V114 PolarHBondContact O-N 3.42Å; V114-A116 PolarHBondContact O-N 3.23Å
115	N	25.2	Very low	24.2	Very low	114 Å²	114	111.8 Å²	111.8	61%	0.61	69%	0.69	S	S	*	*			trans	-73.6	93	-179.8	-174.5	-1.7	0	0	0	109.7	L113 A117 A118	L113-N115 VanDerWaalsContact C-N 3.33Å; L113-N115 PolarHBondContact O-N 2.94Å; N115-A117 PolarHBondContact O-N 3.18Å; N115-A117 PolarHBondContact OD1-N 2.64Å; N115-A118 PolarHBondContact O-N 3.19Å; N115-A118 VanDerWaalsContact O-N 3.14Å
116	A	25.6	Very low	24.4	Very low	71 Å²	71	114.2 Å²	114.2	59%	0.587	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-8.1	-177.4	0	0	0	0	0	114.7	V114	V114-A116 PolarHBondContact O-N 3.23Å
117	A	23.5	Very low	24.7	Very low	86 Å²	86	112.9 Å²	112.9	71%	0.711	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-0.5	177.4	0	0	0	0	0	114.5	N115	N115-A117 PolarHBondContact O-N 3.18Å; N115-A117 PolarHBondContact OD1-N 2.64Å
118	A	25	Very low	25	Very low	63 Å²	63	108 Å²	108	52%	0.521	67%	0.666	S	S	.	*	S	Bend	trans	-68.9	129.2	176	0	0	0	0	0	111.2	N115	N115-A118 PolarHBondContact O-N 3.19Å; N115-A118 VanDerWaalsContact O-N 3.14Å
119	P	23.1	Very low	25.2	Very low	115 Å²	115	109.4 Å²	109.4	75%	0.747	66%	0.661	S	S	*	*			trans	-68.4	143	-179.2	28.1	-34.5	0	0	0	111.6	S121	P119-S121 PolarHBondContact O-N 2.98Å
120	F	24.8	Very low	25.4	Very low	160 Å²	160	108.3 Å²	108.3	70%	0.702	65%	0.654	S	S	*	*			trans	-67.2	111.6	176.2	-76.5	-100.3	0	0	0	110.7
121	S	24.3	Very low	25.7	Very low	83 Å²	83	103.9 Å²	103.9	58%	0.58	63%	0.629	S	S	*	*			trans	-130.7	147.9	167.9	60.8	0	0	0	0	110.6	P119 T123	P119-S121 PolarHBondContact O-N 2.98Å; S121-T123 VanDerWaalsContact C-N 3.33Å; S121-T123 PolarHBondContact O-N 2.82Å; S121-T123 PolarHBondContact O-OG1 3.13Å
122	D	25.1	Very low	25.9	Very low	177 Å²	177	106 Å²	106	95%	0.947	63%	0.625	S	S	*	*			trans	-62	76.5	-161.6	-65.8	-67.6	0	0	0	115.4
123	T	25.9	Very low	26	Very low	88 Å²	88	107.3 Å²	107.3	54%	0.54	62%	0.617	S	S	.	*			trans	-120.4	113.6	-175.2	50.1	0	0	0	0	112.2	S121 R125 M126	S121-T123 VanDerWaalsContact C-N 3.33Å; S121-T123 PolarHBondContact O-N 2.82Å; S121-T123 PolarHBondContact O-OG1 3.13Å; T123-R125 PolarHBondContact O-N 3.14Å; T123-M126 PolarHBondContact O-N 3.45Å
124	T	26.6	Very low	26.1	Very low	117 Å²	117	103.9 Å²	103.9	72%	0.718	59%	0.592	S	S	*	*	H	α-helix	trans	-59.4	-8.6	-173.9	-21.6	0	0	0	0	115.2	S127 T128	T124-S127 PolarHBondContact O-OG 3.18Å; T124-T128 PolarHBondContact O-N 2.98Å; T124-T128 PolarHBondContact O-OG1 3.32Å
125	R	26.6	Very low	26.2	Very low	150 Å²	150	99.6 Å²	99.6	57%	0.566	56%	0.564	S	S	*	*	H	α-helix	trans	-75.7	-34.5	177.6	-71.7	-177.1	175.2	179.8	-0.5	113.1	T123 T128 L129	T123-R125 PolarHBondContact O-N 3.14Å; R125-T128 VanDerWaalsContact CA-OG1 3.29Å; R125-T128 WeakPolarHBondContact CA-OG1 3.14Å; R125-T128 PolarHBondContact O-N 2.91Å; R125-T128 PolarHBondContact O-OG1 3.23Å; R125-L129 PolarHBondContact O-N 3.33Å
126	M	26.7	Very low	26.3	Very low	124 Å²	124	99 Å²	99	61%	0.611	56%	0.557	S	S	*	*	H	α-helix	trans	-78.2	-32.9	-178.8	-150.1	67.8	75.9	0	0	111.7	T123 T128 L129 C130	T123-M126 PolarHBondContact O-N 3.45Å; M126-T128 VanDerWaalsContact C-N 3.3Å; M126-T128 PolarHBondContact O-N 3.19Å; M126-L129 PolarHBondContact O-N 2.76Å; M126-C130 PolarHBondContact O-N 3.48Å; M126-C130 PolarHBondContact O-SG 2.99Å; M126-C130 VanDerWaalsContact O-SG 3.37Å
127	S	27.2	Very low	26.5	Very low	70 Å²	70	101.7 Å²	101.7	49%	0.49	56%	0.562	S	S	.	*	H	α-helix	trans	-67	-30.1	170.6	61.6	0	0	0	0	112.2	T124 C130 A131	T124-S127 PolarHBondContact O-OG 3.18Å; S127-C130 CarbonylContact O-C 3.52Å; S127-A131 WeakPolarHBondContact O-CB 3.33Å; S127-A131 PolarHBondContact O-N 3.21Å
128	T	27.8	Very low	26.9	Very low	74 Å²	74	100.8 Å²	100.8	45%	0.454	54%	0.544	S	S	.	.	H	α-helix	trans	-70.6	-39.8	172.6	11.5	0	0	0	0	112.7	T124 R125 M126 A131 K132	T124-T128 PolarHBondContact O-N 2.98Å; T124-T128 PolarHBondContact O-OG1 3.32Å; R125-T128 VanDerWaalsContact CA-OG1 3.29Å; R125-T128 WeakPolarHBondContact CA-OG1 3.14Å; R125-T128 PolarHBondContact O-N 2.91Å; R125-T128 PolarHBondContact O-OG1 3.23Å; M126-T128 VanDerWaalsContact C-N 3.3Å; M126-T128 PolarHBondContact O-N 3.19Å; T128-A131 CarbonylContact O-C 3.49Å; T128-A131 WeakPolarHBondContact O-CA 3.45Å; T128-A131 PolarHBondContact O-N 2.84Å; T128-K132 PolarHBondContact O-N 3.46Å
129	L	27.6	Very low	27.1	Very low	119 Å²	119	100.5 Å²	100.5	62%	0.623	54%	0.542	S	S	*	.	H	α-helix	trans	-62.7	-44.6	172.4	-103.5	119.5	0	0	0	111.6	R125 M126 A131 K132	R125-L129 PolarHBondContact O-N 3.33Å; M126-L129 PolarHBondContact O-N 2.76Å; L129-A131 PolarHBondContact O-N 2.95Å; L129-K132 PolarHBondContact O-N 3.23Å
130	C	27.8	Very low	27.3	Very low	52 Å²	52	102.8 Å²	102.8	35%	0.351	54%	0.543	S	S	.	.	H	α-helix	trans	-71.1	-6.3	172.7	-60.5	0	0	0	0	113.8	M126 S127 R134	M126-C130 PolarHBondContact O-N 3.48Å; M126-C130 PolarHBondContact O-SG 2.99Å; M126-C130 VanDerWaalsContact O-SG 3.37Å; S127-C130 CarbonylContact O-C 3.52Å; C130-R134 PolarHBondContact O-NE 3.14Å
131	A	27.3	Very low	27.6	Very low	39 Å²	39	99.2 Å²	99.2	32%	0.322	53%	0.527	S	S	.	.	H	α-helix	trans	-99.1	-20.9	172	0	0	0	0	0	113.3	S127 T128 L129 L133 R134	S127-A131 WeakPolarHBondContact O-CB 3.33Å; S127-A131 PolarHBondContact O-N 3.21Å; T128-A131 CarbonylContact O-C 3.49Å; T128-A131 WeakPolarHBondContact O-CA 3.45Å; T128-A131 PolarHBondContact O-N 2.84Å; L129-A131 PolarHBondContact O-N 2.95Å; A131-L133 PolarHBondContact O-N 2.88Å; A131-R134 VanDerWaalsContact O-CB 3.24Å; A131-R134 WeakPolarHBondContact O-CB 3.2Å; A131-R134 PolarHBondContact O-N 2.93Å
132	K	28.5	Very low	27.8	Very low	147 Å²	147	98.2 Å²	98.2	64%	0.639	51%	0.511	S	S	*	.	H	α-helix	trans	-70.2	-12.1	168.5	-72	-174.8	176.8	-170.9	0	113.1	T128 L129	T128-K132 PolarHBondContact O-N 3.46Å; L129-K132 PolarHBondContact O-N 3.23Å
133	L	27.9	Very low	28	Very low	91 Å²	91	96.3 Å²	96.3	48%	0.476	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	22.5	166.5	-68	170.5	0	0	0	112.9	A131 I138	A131-L133 PolarHBondContact O-N 2.88Å; L133-I138 VanDerWaalsContact O-CD1 3.23Å; L133-I138 WeakPolarHBondContact O-CD1 3.32Å
134	R	25	Very low	28.1	Very low	104 Å²	104	96.1 Å²	96.1	39%	0.392	50%	0.496	S	S	.	.			trans	-116.7	140.7	-178.3	-67.8	-176.6	-176.7	-162.2	-6.1	112.7	C130 A131	C130-R134 PolarHBondContact O-NE 3.14Å; A131-R134 VanDerWaalsContact O-CB 3.24Å; A131-R134 WeakPolarHBondContact O-CB 3.2Å; A131-R134 PolarHBondContact O-N 2.93Å
135	D	28.7	Very low	28.2	Very low	48 Å²	48	95 Å²	95	26%	0.257	49%	0.486	S	S	.	.	S	Bend	trans	70.8	138.7	166.3	-46.7	-36.6	0	0	0	114.3	R142 M770	D135-R142 IonicContact OD1-CZ 3.48Å; D135-R142 IonicContact OD1-NH1 2.73Å; D135-R142 PolarHBondContact OD1-NH1 3.06Å; D135-R142 IonicContact OD1-NH2 3.89Å; D135-R142 PolarHBondContact OD1-NH2 2.89Å; D135-R142 IonicContact OD2-NH2 3.05Å; D135-M770 VanDerWaalsContact O-CE 3.29Å; D135-M770 WeakPolarHBondContact O-CE 3.27Å
136	Q	26.7	Very low	28.3	Very low	101 Å²	101	94.4 Å²	94.4	47%	0.472	48%	0.484	S	S	.	.	S	Bend	cis	-98.6	-37.9	7.8	-63.6	-177.9	-76.6	0	0	114.7	I138 A139 Y773	Q136-I138 PolarHBondContact O-N 3.15Å; Q136-A139 PolarHBondContact O-N 2.88Å; Q136-A139 VanDerWaalsContact O-N 3.14Å; Q136-Y773 VanDerWaalsContact CD-CZ 3.47Å; Q136-Y773 HydrophobicContact CG-CD1 4.15Å; Q136-Y773 HydrophobicContact CG-CE1 3.61Å; Q136-Y773 PolarHBondContact NE2-OH 3.41Å; Q136-Y773 VanDerWaalsContact NE2-OH 3.1Å; Q136-Y773 VanDerWaalsContact OE1-CZ 3.28Å; Q136-Y773 PolarHBondContact OE1-OH 3.02Å
137	N	29.8	Very low	28.5	Very low	128 Å²	128	94.5 Å²	94.5	68%	0.684	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-1.8	-173.7	-67.2	11.6	0	0	0	114.8
138	I	33.2	Very low	28.8	Very low	66 Å²	66	96.3 Å²	96.3	34%	0.338	49%	0.492	S	S	.	.	H	α-helix	trans	-94.7	-4.8	178.5	-75.3	169.8	0	0	0	112.6	L133 Q136 E140 F141 R142	L133-I138 VanDerWaalsContact O-CD1 3.23Å; L133-I138 WeakPolarHBondContact O-CD1 3.32Å; Q136-I138 PolarHBondContact O-N 3.15Å; I138-E140 VanDerWaalsContact C-N 3.33Å; I138-E140 PolarHBondContact O-N 2.86Å; I138-F141 HydrophobicContact CG2-CB 4.34Å; I138-F141 PolarHBondContact O-N 3.37Å; I138-R142 HydrophobicContact CG2-CG 4.37Å; I138-R142 WeakPolarHBondContact O-CG 3.47Å; I138-R142 PolarHBondContact O-N 2.84Å
139	A	27.8	Very low	29	Very low	58 Å²	58	102.6 Å²	102.6	48%	0.479	51%	0.507	S	S	.	.	H	α-helix	trans	-59.4	-43.3	172.7	0	0	0	0	0	112	Q136 R142	Q136-A139 PolarHBondContact O-N 2.88Å; Q136-A139 VanDerWaalsContact O-N 3.14Å; A139-R142 PolarHBondContact O-N 3.37Å
140	E	28.3	Very low	29.2	Very low	162 Å²	162	104.4 Å²	104.4	76%	0.757	52%	0.517	S	S	*	.	H	α-helix	trans	-70	-40.1	174.7	-62.8	-170.7	138.5	0	0	112	I138 R142 Q143 P144	I138-E140 VanDerWaalsContact C-N 3.33Å; I138-E140 PolarHBondContact O-N 2.86Å; E140-R142 PolarHBondContact O-N 3.43Å; E140-Q143 PolarHBondContact O-N 3.06Å; E140-P144 WeakPolarHBondContact O-CD 3.47Å
141	F	31.1	Very low	29.6	Very low	85 Å²	85	106 Å²	106	37%	0.373	52%	0.522	S	S	.	.	H	α-helix	trans	-58.2	-28.1	172.5	-87.5	-98.8	0	0	0	113.3	I138 L145 C167	I138-F141 HydrophobicContact CG2-CB 4.34Å; I138-F141 PolarHBondContact O-N 3.37Å; F141-L145 WeakPolarHBondContact O-CD1 3.29Å; F141-L145 WeakPolarHBondContact O-CG 3.46Å; F141-C167 HydrophobicContact CE1-CB 4.21Å
142	R	28.2	Very low	30	Very low	62 Å²	62	108.5 Å²	108.5	23%	0.234	54%	0.538	C	S	.	.	H	α-helix	trans	-73.5	-31	178.9	-77.8	-171	-155.1	134.9	32.2	113.8	D135 I138 A139 E140 L145 Y146	D135-R142 IonicContact OD1-CZ 3.48Å; D135-R142 IonicContact OD1-NH1 2.73Å; D135-R142 PolarHBondContact OD1-NH1 3.06Å; D135-R142 IonicContact OD1-NH2 3.89Å; D135-R142 PolarHBondContact OD1-NH2 2.89Å; D135-R142 IonicContact OD2-NH2 3.05Å; I138-R142 HydrophobicContact CG2-CG 4.37Å; I138-R142 WeakPolarHBondContact O-CG 3.47Å; I138-R142 PolarHBondContact O-N 2.84Å; A139-R142 PolarHBondContact O-N 3.37Å; E140-R142 PolarHBondContact O-N 3.43Å; R142-L145 PolarHBondContact O-N 3.1Å; R142-Y146 HydrophobicContact CB-CD2 4.15Å; R142-Y146 HydrophobicContact CB-CE2 4.42Å; R142-Y146 HydrophobicContact CG-CE2 4.38Å; R142-Y146 WeakPolarHBondContact O-CD2 3.16Å; R142-Y146 PolarHBondContact O-N 3.16Å
143	Q	29.2	Very low	30.4	Very low	137 Å²	137	107.9 Å²	107.9	64%	0.64	54%	0.541	S	S	*	.	H	α-helix	trans	-61.7	-47.3	-177.8	-79.1	-174.2	-10.2	0	0	112.6	E140 L145 Y146 N147	E140-Q143 PolarHBondContact O-N 3.06Å; Q143-L145 PolarHBondContact O-N 2.78Å; Q143-Y146 PolarHBondContact O-N 2.56Å; Q143-N147 WeakPolarHBondContact O-CB 3.25Å; Q143-N147 PolarHBondContact O-N 3.35Å; Q143-N147 VanDerWaalsContact O-N 3.12Å; Q143-N147 PolarHBondContact O-ND2 3.09Å; Q143-N147 PolarHBondContact O-OD1 2.75Å
144	P	27.3	Very low	30.9	Very low	84 Å²	84	105.9 Å²	105.9	55%	0.545	53%	0.532	S	S	.	.	H	α-helix	trans	-59.4	-41.3	170.6	-25.6	35.3	0	0	0	113.5	E140 Y146 N147 N148	E140-P144 WeakPolarHBondContact O-CD 3.47Å; P144-Y146 PolarHBondContact O-N 3.18Å; P144-N147 PolarHBondContact O-N 3.23Å; P144-N148 PolarHBondContact O-N 3.08Å
145	L	28.4	Very low	31.2	Very low	94 Å²	94	108.9 Å²	108.9	49%	0.492	55%	0.551	S	S	.	*	H	α-helix	trans	-69	-27.6	-178.8	-73.9	169.4	0	0	0	114.1	F141 R142 Q143	F141-L145 WeakPolarHBondContact O-CD1 3.29Å; F141-L145 WeakPolarHBondContact O-CG 3.46Å; R142-L145 PolarHBondContact O-N 3.1Å; Q143-L145 PolarHBondContact O-N 2.78Å
146	Y	30.4	Very low	31.6	Very low	137 Å²	137	108.9 Å²	108.9	54%	0.537	56%	0.555	S	S	.	*	H	α-helix	trans	-88.5	-22.2	176.1	-88.3	-100.4	0	0	0	113.4	R142 Q143 P144	R142-Y146 HydrophobicContact CB-CD2 4.15Å; R142-Y146 HydrophobicContact CB-CE2 4.42Å; R142-Y146 HydrophobicContact CG-CE2 4.38Å; R142-Y146 WeakPolarHBondContact O-CD2 3.16Å; R142-Y146 PolarHBondContact O-N 3.16Å; Q143-Y146 PolarHBondContact O-N 2.56Å; P144-Y146 PolarHBondContact O-N 3.18Å
147	N	31	Very low	31.9	Very low	126 Å²	126	106.4 Å²	106.4	67%	0.674	55%	0.549	S	S	*	.	H	α-helix	trans	-77.7	-34.8	179.8	-72.7	-9.8	0	0	0	112.9	Q143 P144 R149	Q143-N147 WeakPolarHBondContact O-CB 3.25Å; Q143-N147 PolarHBondContact O-N 3.35Å; Q143-N147 VanDerWaalsContact O-N 3.12Å; Q143-N147 PolarHBondContact O-ND2 3.09Å; Q143-N147 PolarHBondContact O-OD1 2.75Å; P144-N147 PolarHBondContact O-N 3.23Å; N147-R149 PolarHBondContact O-N 3.34Å
148	N	32.8	Very low	32.1	Very low	109 Å²	109	103.2 Å²	103.2	58%	0.583	54%	0.536	S	S	*	.			trans	-80.9	52.7	176.5	-76.4	27.1	0	0	0	112.4	P144 N150	P144-N148 PolarHBondContact O-N 3.08Å; N148-N150 PolarHBondContact O-N 2.93Å
149	R	32.1	Very low	32.3	Very low	206 Å²	206	100.9 Å²	100.9	78%	0.777	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	6.7	-167.5	-139.5	176.3	-174.9	-172.9	0.9	115.7	N147	N147-R149 PolarHBondContact O-N 3.34Å
150	N	32.5	Very low	32.9	Very low	157 Å²	157	102.3 Å²	102.3	84%	0.84	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-5.8	-173	-67.6	0.3	0	0	0	114.4	N148 S152	N148-N150 PolarHBondContact O-N 2.93Å; N150-S152 PolarHBondContact O-N 2.93Å
151	D	34.8	Very low	33.5	Very low	85 Å²	85	99 Å²	99	46%	0.455	52%	0.515	S	S	.	.			trans	-75.9	107.4	179.2	-73	-24.3	0	0	0	111	D153 V154	D151-D153 VanDerWaalsContact C-N 3.28Å; D151-D153 PolarHBondContact O-N 2.81Å; D151-V154 HydrophobicContact CB-CG2 3.67Å; D151-V154 WeakPolarHBondContact O-CG2 3.5Å
152	S	36.1	Very low	34.1	Very low	92 Å²	92	97.7 Å²	97.7	64%	0.643	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-59.5	-33.4	-179.6	47.5	0	0	0	0	114.2	N150 V154	N150-S152 PolarHBondContact O-N 2.93Å; S152-V154 PolarHBondContact O-N 2.85Å; S152-V154 VanDerWaalsContact O-N 3.16Å
153	D	37.9	Very low	34.9	Very low	133 Å²	133	99.7 Å²	99.7	71%	0.711	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-72.4	-12.3	-169.3	-61.2	-3.9	0	0	0	113.5	D151 Q155 S156	D151-D153 VanDerWaalsContact C-N 3.28Å; D151-D153 PolarHBondContact O-N 2.81Å; D153-Q155 PolarHBondContact O-N 3.16Å; D153-S156 PolarHBondContact O-OG 3.49Å
154	V	36.6	Very low	35.5	Very low	49 Å²	49	94.7 Å²	94.7	30%	0.297	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-74.3	-12.4	-175.2	-171.2	0	0	0	0	112.7	D151 S152 S156	D151-V154 HydrophobicContact CB-CG2 3.67Å; D151-V154 WeakPolarHBondContact O-CG2 3.5Å; S152-V154 PolarHBondContact O-N 2.85Å; S152-V154 VanDerWaalsContact O-N 3.16Å; V154-S156 VanDerWaalsContact C-N 3.29Å; V154-S156 PolarHBondContact O-N 3.22Å
155	Q	32.6	Very low	36.4	Very low	168 Å²	168	91.5 Å²	91.5	79%	0.785	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-75.6	-10.5	179.7	-64.7	-167.5	-5.4	0	0	114.5	D153	D153-Q155 PolarHBondContact O-N 3.16Å
156	S	35.9	Very low	37.5	Very low	47 Å²	47	91.2 Å²	91.2	33%	0.329	47%	0.474	S	S	.	.			trans	-74	133.5	178.9	59.7	0	0	0	0	112.4	D153 V154 S158 G159 L160	D153-S156 PolarHBondContact O-OG 3.49Å; V154-S156 VanDerWaalsContact C-N 3.29Å; V154-S156 PolarHBondContact O-N 3.22Å; S156-S158 PolarHBondContact O-N 3.19Å; S156-G159 PolarHBondContact O-N 3.4Å; S156-G159 WeakPolarHBondContact OG-CA 3.34Å; S156-G159 PolarHBondContact OG-N 2.93Å; S156-G159 VanDerWaalsContact OG-N 3.09Å; S156-L160 PolarHBondContact O-N 2.92Å
157	S	33.8	Very low	38.3	Very low	50 Å²	50	86.8 Å²	86.8	35%	0.35	46%	0.462	S	S	.	.	H	α-helix	trans	-57.8	-37.5	174	52.4	0	0	0	0	111.9	L161	S157-L161 WeakPolarHBondContact O-CB 3.32Å; S157-L161 PolarHBondContact O-N 3.19Å
158	S	33.5	Very low	39	Very low	60 Å²	60	82.4 Å²	82.4	42%	0.42	44%	0.438	S	S	.	.	H	α-helix	trans	-64.6	-43	171.4	52.7	0	0	0	0	112.8	S156 L160 N162	S156-S158 PolarHBondContact O-N 3.19Å; S158-L160 VanDerWaalsContact C-N 3.35Å; S158-L160 PolarHBondContact O-N 2.65Å; S158-N162 WeakPolarHBondContact O-CB 3.07Å; S158-N162 PolarHBondContact O-N 3.25Å; S158-N162 PolarHBondContact O-ND2 2.9Å; S158-N162 PolarHBondContact O-OD1 3.31Å
159	G	38.3	Very low	39.6	Very low	17 Å²	17	78 Å²	78	18%	0.175	42%	0.417	C	S	.	.	H	α-helix	trans	-62.8	-39.5	175.4	0	0	0	0	0	113.1	S156 N162 R163	S156-G159 PolarHBondContact O-N 3.4Å; S156-G159 WeakPolarHBondContact OG-CA 3.34Å; S156-G159 PolarHBondContact OG-N 2.93Å; S156-G159 VanDerWaalsContact OG-N 3.09Å; G159-N162 PolarHBondContact O-N 3.06Å; G159-R163 WeakPolarHBondContact O-CG 3.47Å; G159-R163 PolarHBondContact O-N 3.34Å
160	L	39.2	Very low	40.4	Very low	88 Å²	88	73.1 Å²	73.1	46%	0.461	40%	0.403	S	S	.	.	H	α-helix	trans	-68.8	-48	178.3	-145.2	162.2	0	0	0	110.9	S156 S158 N162 R163 S164	S156-L160 PolarHBondContact O-N 2.92Å; S158-L160 VanDerWaalsContact C-N 3.35Å; S158-L160 PolarHBondContact O-N 2.65Å; L160-N162 VanDerWaalsContact C-N 3.29Å; L160-N162 PolarHBondContact O-N 3.22Å; L160-R163 PolarHBondContact O-N 2.91Å; L160-S164 PolarHBondContact O-N 3.22Å; L160-S164 PolarHBondContact O-OG 2.93Å; L160-S164 VanDerWaalsContact O-OG 3.05Å
161	L	40.8	Very low	41.1	Very low	93 Å²	93	69.3 Å²	69.3	49%	0.487	38%	0.377	S	S	.	.	H	α-helix	trans	-59.5	-39.2	171.4	-176.6	68.4	0	0	0	112	S157 S164 M165	S157-L161 WeakPolarHBondContact O-CB 3.32Å; S157-L161 PolarHBondContact O-N 3.19Å; L161-S164 WeakPolarHBondContact O-CB 3.37Å; L161-S164 PolarHBondContact O-N 2.89Å; L161-M165 HydrophobicContact CD1-CE 4.08Å; L161-M165 HydrophobicContact CD2-CE 3.72Å; L161-M165 HydrophobicContact CG-CE 3.64Å; L161-M165 PolarHBondContact O-N 2.73Å
162	N	44.9	Very low	41.7	Very low	58 Å²	58	65.7 Å²	65.7	31%	0.31	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-45.2	-179.2	-81.3	-11.1	0	0	0	111.9	S158 G159 L160 Q166 R247	S158-N162 WeakPolarHBondContact O-CB 3.07Å; S158-N162 PolarHBondContact O-N 3.25Å; S158-N162 PolarHBondContact O-ND2 2.9Å; S158-N162 PolarHBondContact O-OD1 3.31Å; G159-N162 PolarHBondContact O-N 3.06Å; L160-N162 VanDerWaalsContact C-N 3.29Å; L160-N162 PolarHBondContact O-N 3.22Å; N162-Q166 WeakPolarHBondContact O-CB 3.16Å; N162-Q166 WeakPolarHBondContact O-CG 3.42Å; N162-Q166 PolarHBondContact O-N 3.25Å; N162-R247 VanDerWaalsContact CA-NH2 3.28Å; N162-R247 PolarHBondContact O-NH2 2.83Å; N162-R247 PolarHBondContact OD1-NE 3.21Å; N162-R247 VanDerWaalsContact OD1-NE 3.13Å
163	R	45.8	Very low	42.1	Very low	103 Å²	103	63 Å²	63	39%	0.389	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-41	171.3	-71.8	-177.9	179.6	-170.8	0.4	111	G159 L160 Q166 C167	G159-R163 WeakPolarHBondContact O-CG 3.47Å; G159-R163 PolarHBondContact O-N 3.34Å; L160-R163 PolarHBondContact O-N 2.91Å; R163-Q166 PolarHBondContact O-N 2.74Å; R163-C167 WeakPolarHBondContact O-CB 3.4Å; R163-C167 PolarHBondContact O-N 3.07Å; R163-C167 PolarHBondContact O-SG 2.78Å
164	S	41.6	Very low	42.2	Very low	32 Å²	32	60.6 Å²	60.6	22%	0.224	34%	0.339	C	S	.	.	H	α-helix	trans	-59.7	-49.8	179	-65.4	0	0	0	0	113.5	L160 L161 Q166 C167 L168	L160-S164 PolarHBondContact O-N 3.22Å; L160-S164 PolarHBondContact O-OG 2.93Å; L160-S164 VanDerWaalsContact O-OG 3.05Å; L161-S164 WeakPolarHBondContact O-CB 3.37Å; L161-S164 PolarHBondContact O-N 2.89Å; S164-Q166 VanDerWaalsContact C-N 3.33Å; S164-Q166 PolarHBondContact O-N 3.48Å; S164-C167 PolarHBondContact O-N 3.47Å; S164-L168 PolarHBondContact O-N 3.17Å
165	M	46.1	Very low	42.3	Very low	18 Å²	18	58.6 Å²	58.6	9%	0.089	33%	0.328	C	S	.	.	H	α-helix	trans	-67	-34.3	177.1	-47.2	178.9	-159.8	0	0	112	L161 L168 A169 M193 V243 R247	L161-M165 HydrophobicContact CD1-CE 4.08Å; L161-M165 HydrophobicContact CD2-CE 3.72Å; L161-M165 HydrophobicContact CG-CE 3.64Å; L161-M165 PolarHBondContact O-N 2.73Å; M165-L168 WeakPolarHBondContact O-CB 3.46Å; M165-L168 PolarHBondContact O-N 2.81Å; M165-A169 WeakPolarHBondContact O-CB 3.34Å; M165-A169 PolarHBondContact O-N 3.47Å; M165-M193 HydrophobicContact SD-SD 4.32Å; M165-V243 HydrophobicContact CB-CG1 4.05Å; M165-V243 HydrophobicContact CB-CG2 4.06Å; M165-V243 HydrophobicContact SD-CG1 3.78Å; M165-V243 HydrophobicContact SD-CG2 4.37Å; M165-R247 HydrophobicContact CE-CG 3.99Å; M165-R247 HydrophobicContact SD-CG 4.24Å; M165-R247 PolarHBondContact SD-NE 2.95Å; M165-R247 VanDerWaalsContact SD-NE 3.42Å
166	Q	50.7	Low	42.3	Very low	88 Å²	88	53.7 Å²	53.7	41%	0.411	31%	0.311	S	S	.	.	H	α-helix	trans	-68.6	-36.9	176.9	-77.4	175.6	-14.8	0	0	112.2	N162 R163 S164 A169 Q170	N162-Q166 WeakPolarHBondContact O-CB 3.16Å; N162-Q166 WeakPolarHBondContact O-CG 3.42Å; N162-Q166 PolarHBondContact O-N 3.25Å; R163-Q166 PolarHBondContact O-N 2.74Å; S164-Q166 VanDerWaalsContact C-N 3.33Å; S164-Q166 PolarHBondContact O-N 3.48Å; Q166-A169 PolarHBondContact O-N 3.13Å; Q166-Q170 WeakPolarHBondContact O-CB 3.37Å; Q166-Q170 VanDerWaalsContact O-CG 3.26Å; Q166-Q170 WeakPolarHBondContact O-CG 3.29Å; Q166-Q170 PolarHBondContact O-N 2.92Å
167	C	46.6	Very low	42	Very low	43 Å²	43	53.9 Å²	53.9	29%	0.291	31%	0.31	S	S	.	.	H	α-helix	trans	-66.6	-36.9	170.6	-69.1	0	0	0	0	111.8	F141 R163 S164 Q170 W171	F141-C167 HydrophobicContact CE1-CB 4.21Å; R163-C167 WeakPolarHBondContact O-CB 3.4Å; R163-C167 PolarHBondContact O-N 3.07Å; R163-C167 PolarHBondContact O-SG 2.78Å; S164-C167 PolarHBondContact O-N 3.47Å; C167-Q170 PolarHBondContact O-N 2.95Å; C167-W171 WeakPolarHBondContact O-CB 3.35Å; C167-W171 PolarHBondContact O-N 3.06Å
168	L	47	Very low	41.9	Very low	35 Å²	35	57.8 Å²	57.8	18%	0.183	33%	0.328	C	S	.	.	H	α-helix	trans	-65	-39.6	172.1	-85.4	152.8	0	0	0	112.2	S164 M165 W171 L172 I191	S164-L168 PolarHBondContact O-N 3.17Å; M165-L168 WeakPolarHBondContact O-CB 3.46Å; M165-L168 PolarHBondContact O-N 2.81Å; L168-W171 PolarHBondContact O-N 2.87Å; L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 3.17Å; L168-I191 HydrophobicContact CD1-CD1 3.91Å; L168-I191 HydrophobicContact CD1-CG2 3.86Å
169	A	45.1	Very low	41.9	Very low	16 Å²	16	57 Å²	57	13%	0.132	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-44	174.6	0	0	0	0	0	112.1	M165 Q166 W171 L172 A173 L239	M165-A169 WeakPolarHBondContact O-CB 3.34Å; M165-A169 PolarHBondContact O-N 3.47Å; Q166-A169 PolarHBondContact O-N 3.13Å; A169-W171 VanDerWaalsContact C-N 3.34Å; A169-W171 PolarHBondContact O-N 3.39Å; A169-L172 PolarHBondContact O-N 3.07Å; A169-A173 WeakPolarHBondContact O-CB 3.49Å; A169-A173 PolarHBondContact O-N 3.05Å; A169-L239 HydrophobicContact CB-CD2 3.86Å; A169-L239 HydrophobicContact CB-CG 3.85Å
170	Q	48.9	Very low	41.8	Very low	103 Å²	103	61.7 Å²	61.7	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-64.4	-36.9	173.5	-71.5	167.2	14.5	0	0	112.3	Q166 C167 A174	Q166-Q170 WeakPolarHBondContact O-CB 3.37Å; Q166-Q170 VanDerWaalsContact O-CG 3.26Å; Q166-Q170 WeakPolarHBondContact O-CG 3.29Å; Q166-Q170 PolarHBondContact O-N 2.92Å; C167-Q170 PolarHBondContact O-N 2.95Å; Q170-A174 WeakPolarHBondContact O-CB 3.5Å; Q170-A174 PolarHBondContact O-N 2.91Å
171	W	47.6	Very low	41.6	Very low	78 Å²	78	58.6 Å²	58.6	30%	0.295	32%	0.319	S	S	.	.	H	α-helix	trans	-69.8	-39.5	176.7	179.5	80.8	0	0	0	112	C167 L168 A169 A174 S175	C167-W171 WeakPolarHBondContact O-CB 3.35Å; C167-W171 PolarHBondContact O-N 3.06Å; L168-W171 PolarHBondContact O-N 2.87Å; A169-W171 VanDerWaalsContact C-N 3.34Å; A169-W171 PolarHBondContact O-N 3.39Å; W171-A174 CarbonylContact O-C 3.54Å; W171-A174 PolarHBondContact O-N 2.85Å; W171-S175 WeakPolarHBondContact CH2-OG 3.49Å; W171-S175 WeakPolarHBondContact CZ2-OG 3.31Å; W171-S175 WeakPolarHBondContact O-CB 3.31Å; W171-S175 PolarHBondContact O-N 2.85Å; W171-S175 PolarHBondContact O-OG 3.26Å
172	L	46.7	Very low	41.3	Very low	8 Å²	8	58 Å²	58	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-65.4	-42.2	172.9	-79.4	167.6	0	0	0	111.4	L168 A169 A174 S175 V184 L239 A332	L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 3.17Å; A169-L172 PolarHBondContact O-N 3.07Å; L172-A174 VanDerWaalsContact C-N 3.26Å; L172-A174 PolarHBondContact O-N 2.92Å; L172-S175 WeakPolarHBondContact O-CB 3.28Å; L172-S175 PolarHBondContact O-N 3.2Å; L172-V184 HydrophobicContact CD1-CG1 4.33Å; L172-V184 HydrophobicContact CD2-CB 4.31Å; L172-V184 HydrophobicContact CD2-CG1 3.95Å; L172-V184 HydrophobicContact CD2-CG2 3.86Å; L172-L239 HydrophobicContact CB-CD2 3.82Å; L172-L239 HydrophobicContact CD1-CD2 3.54Å; L172-L239 HydrophobicContact CG-CD2 4.31Å; L172-A332 CarbonylContact C-O 3.53Å; L172-A332 HydrophobicContact CB-CB 4.24Å
173	A	44.5	Very low	41.2	Very low	36 Å²	36	56.5 Å²	56.5	30%	0.298	31%	0.305	S	S	.	.	H	α-helix	trans	-68.1	-23.1	174.7	0	0	0	0	0	114	A169 A332	A169-A173 WeakPolarHBondContact O-CB 3.49Å; A169-A173 PolarHBondContact O-N 3.05Å; A173-A332 WeakPolarHBondContact CA-O 3.45Å; A173-A332 WeakPolarHBondContact CB-O 3.43Å; A173-A332 PolarHBondContact N-O 3.19Å; A173-A332 VanDerWaalsContact N-O 3.09Å
174	A	40.9	Very low	40.8	Very low	82 Å²	82	52.1 Å²	52.1	68%	0.678	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-0.1	174.4	0	0	0	0	0	113.7	Q170 W171 L172	Q170-A174 WeakPolarHBondContact O-CB 3.5Å; Q170-A174 PolarHBondContact O-N 2.91Å; W171-A174 CarbonylContact O-C 3.54Å; W171-A174 PolarHBondContact O-N 2.85Å; L172-A174 VanDerWaalsContact C-N 3.26Å; L172-A174 PolarHBondContact O-N 2.92Å
175	S	37.9	Very low	40.7	Very low	8 Å²	8	53.2 Å²	53.2	6%	0.056	29%	0.291	C	S	.	.	S	Bend	trans	-77.9	138.9	-178.7	-73	0	0	0	0	110.9	W171 L172 R271	W171-S175 WeakPolarHBondContact CH2-OG 3.49Å; W171-S175 WeakPolarHBondContact CZ2-OG 3.31Å; W171-S175 WeakPolarHBondContact O-CB 3.31Å; W171-S175 PolarHBondContact O-N 2.85Å; W171-S175 PolarHBondContact O-OG 3.26Å; L172-S175 WeakPolarHBondContact O-CB 3.28Å; L172-S175 PolarHBondContact O-N 3.2Å; S175-R271 PolarHBondContact O-NH2 2.97Å
176	P	32.7	Very low	40.5	Very low	65 Å²	65	54.7 Å²	54.7	42%	0.422	30%	0.301	S	S	.	.			trans	-50	143.6	179.7	-30.6	35.7	0	0	0	113.6	N178 C179 R271	P176-N178 WeakPolarHBondContact CB-OD1 3.49Å; P176-N178 PolarHBondContact O-N 3.14Å; P176-C179 PolarHBondContact O-N 3.5Å; P176-C179 PolarHBondContact O-SG 2.94Å; P176-R271 VanDerWaalsContact O-CZ 3.24Å; P176-R271 PolarHBondContact O-NH1 3.18Å; P176-R271 PolarHBondContact O-NH2 2.54Å; P176-R271 VanDerWaalsContact O-NH2 3.07Å
177	P	30.7	Very low	40.1	Very low	50 Å²	50	53 Å²	53	33%	0.325	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-26.2	-176.3	-29.4	37	0	0	0	114.9	R271 D274	P177-R271 VanDerWaalsContact CA-CZ 3.47Å; P177-R271 PolarHBondContact O-NH1 3.32Å; P177-R271 VanDerWaalsContact O-NH1 3.17Å; P177-D274 VanDerWaalsContact CB-OD2 3.22Å; P177-D274 WeakPolarHBondContact CB-OD2 3.47Å; P177-D274 WeakPolarHBondContact CG-OD1 3.35Å; P177-D274 WeakPolarHBondContact CG-OD2 3.39Å
178	N	31	Very low	39.8	Very low	133 Å²	133	51.1 Å²	51.1	71%	0.711	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	13.4	-177.7	45.6	-2.6	0	0	0	114.6	P176	P176-N178 WeakPolarHBondContact CB-OD1 3.49Å; P176-N178 PolarHBondContact O-N 3.14Å
179	C	33.1	Very low	39.5	Very low	42 Å²	42	52.2 Å²	52.2	28%	0.284	28%	0.283	S	S	.	.	S	Bend	trans	-72.2	124	158.6	-59.6	0	0	0	0	110.1	P176 R271	P176-C179 PolarHBondContact O-N 3.5Å; P176-C179 PolarHBondContact O-SG 2.94Å; C179-R271 PolarHBondContact O-NH1 3Å
180	Y	36.8	Very low	39.2	Very low	117 Å²	117	56.7 Å²	56.7	46%	0.459	30%	0.301	S	S	.	.			trans	-58.2	141.5	-179.2	-60.6	-84.7	0	0	0	113.3	E182 D183 V184 S762	Y180-E182 PolarHBondContact O-N 2.83Å; Y180-E182 VanDerWaalsContact O-N 3.14Å; Y180-D183 PolarHBondContact O-N 2.87Å; Y180-V184 PolarHBondContact O-N 2.99Å; Y180-S762 VanDerWaalsContact CE2-O 3.32Å; Y180-S762 WeakPolarHBondContact CE2-O 3.42Å; Y180-S762 PolarHBondContact OH-O 3.29Å; Y180-S762 VanDerWaalsContact OH-O 3.07Å
181	D	34.5	Very low	38.6	Very low	23 Å²	23	54.7 Å²	54.7	12%	0.123	29%	0.293	C	S	.	.	H	α-helix	trans	-55.6	-29.9	172.1	-55	-73.7	0	0	0	112.2	D183 V184 F185 R271 P281	D181-D183 VanDerWaalsContact C-N 3.33Å; D181-D183 PolarHBondContact O-N 3.43Å; D181-V184 WeakPolarHBondContact O-CB 3.27Å; D181-V184 PolarHBondContact O-N 3.24Å; D181-F185 VanDerWaalsContact O-CB 3.31Å; D181-F185 WeakPolarHBondContact O-CB 3.5Å; D181-F185 PolarHBondContact O-N 3.48Å; D181-R271 WeakPolarHBondContact OD1-CB 3.12Å; D181-R271 PolarHBondContact OD1-N 2.99Å; D181-P281 HydrophobicContact CB-CB 3.74Å; D181-P281 HydrophobicContact CB-CG 3.84Å
182	E	35.4	Very low	37.8	Very low	80 Å²	80	52.6 Å²	52.6	37%	0.374	30%	0.295	S	S	.	.	H	α-helix	trans	-57.8	-40.3	173.5	-59.1	-176.9	161.5	0	0	112.8	Y180 F185 V186	Y180-E182 PolarHBondContact O-N 2.83Å; Y180-E182 VanDerWaalsContact O-N 3.14Å; E182-F185 PolarHBondContact O-N 2.93Å; E182-V186 VanDerWaalsContact O-CB 3.31Å; E182-V186 WeakPolarHBondContact O-CB 3.28Å; E182-V186 VanDerWaalsContact O-CG2 3.23Å; E182-V186 WeakPolarHBondContact O-CG2 3.35Å; E182-V186 PolarHBondContact O-N 3.06Å
183	D	40.8	Very low	37.3	Very low	26 Å²	26	52.4 Å²	52.4	14%	0.139	29%	0.294	C	S	.	.	H	α-helix	trans	-76.5	-29.1	-179.3	-146.4	72.8	0	0	0	110.6	R102 Y180 D181 R187	R102-D183 IonicContact NH1-OD1 2.65Å; Y180-D183 PolarHBondContact O-N 2.87Å; D181-D183 VanDerWaalsContact C-N 3.33Å; D181-D183 PolarHBondContact O-N 3.43Å; D183-R187 WeakPolarHBondContact O-CB 3.48Å; D183-R187 WeakPolarHBondContact O-CD 3.25Å; D183-R187 WeakPolarHBondContact O-CG 3.18Å; D183-R187 PolarHBondContact O-N 3.44Å; D183-R187 IonicContact OD2-CZ 3.64Å; D183-R187 IonicContact OD2-NE 3.73Å; D183-R187 PolarHBondContact OD2-NE 3.33Å; D183-R187 IonicContact OD2-NH2 2.75Å; D183-R187 PolarHBondContact OD2-NH2 2.72Å
184	V	38.6	Very low	36.9	Very low	11 Å²	11	51.4 Å²	51.4	7%	0.067	28%	0.284	C	S	.	.	H	α-helix	trans	-67.6	-47.9	169.8	-174.1	0	0	0	0	110.7	L172 Y180 D181 R187 L188 P269	L172-V184 HydrophobicContact CD1-CG1 4.33Å; L172-V184 HydrophobicContact CD2-CB 4.31Å; L172-V184 HydrophobicContact CD2-CG1 3.95Å; L172-V184 HydrophobicContact CD2-CG2 3.86Å; Y180-V184 PolarHBondContact O-N 2.99Å; D181-V184 WeakPolarHBondContact O-CB 3.27Å; D181-V184 PolarHBondContact O-N 3.24Å; V184-R187 PolarHBondContact O-N 3.03Å; V184-L188 HydrophobicContact CG1-CD1 4Å; V184-L188 WeakPolarHBondContact O-CB 3.43Å; V184-L188 WeakPolarHBondContact O-CG 3.34Å; V184-L188 PolarHBondContact O-N 3.24Å; V184-P269 HydrophobicContact CG1-CB 3.93Å; V184-P269 HydrophobicContact CG1-CG 4.37Å
185	F	39.9	Very low	36.6	Very low	56 Å²	56	53.1 Å²	53.1	25%	0.246	29%	0.286	C	S	.	.	H	α-helix	trans	-61	-48	177.5	-176.2	-110.8	0	0	0	111.9	D181 E182 R187 L188 I189 L194 P269 T283	D181-F185 VanDerWaalsContact O-CB 3.31Å; D181-F185 WeakPolarHBondContact O-CB 3.5Å; D181-F185 PolarHBondContact O-N 3.48Å; E182-F185 PolarHBondContact O-N 2.93Å; F185-R187 PolarHBondContact O-N 2.83Å; F185-L188 PolarHBondContact O-N 3.24Å; F185-I189 HydrophobicContact CD1-CD1 3.87Å; F185-I189 HydrophobicContact CE1-CD1 3.61Å; F185-I189 HydrophobicContact CE2-CD1 4.48Å; F185-I189 HydrophobicContact CG-CD1 4.42Å; F185-I189 HydrophobicContact CZ-CD1 3.94Å; F185-I189 WeakPolarHBondContact O-CG1 3.49Å; F185-I189 PolarHBondContact O-N 2.9Å; F185-L194 HydrophobicContact CD2-CD1 3.46Å; F185-L194 VanDerWaalsContact CD2-CD1 3.46Å; F185-L194 HydrophobicContact CE2-CD1 3.72Å; F185-L194 HydrophobicContact CG-CD1 4.29Å; F185-P269 HydrophobicContact CB-CG 3.97Å; F185-P269 HydrophobicContact CD2-CG 3.99Å; F185-T283 HydrophobicContact CE1-CG2 4.37Å; F185-T283 HydrophobicContact CE2-CG2 3.93Å; F185-T283 HydrophobicContact CZ-CG2 3.85Å
186	V	40.4	Very low	36.2	Very low	49 Å²	49	56.6 Å²	56.6	30%	0.297	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-41.9	176	167.2	0	0	0	0	111.4	E182 I189 Q190	E182-V186 VanDerWaalsContact O-CB 3.31Å; E182-V186 WeakPolarHBondContact O-CB 3.28Å; E182-V186 VanDerWaalsContact O-CG2 3.23Å; E182-V186 WeakPolarHBondContact O-CG2 3.35Å; E182-V186 PolarHBondContact O-N 3.06Å; V186-I189 PolarHBondContact O-N 3.28Å; V186-Q190 HydrophobicContact CG1-CG 4.27Å; V186-Q190 WeakPolarHBondContact O-CB 3.38Å; V186-Q190 VanDerWaalsContact O-CG 3.24Å; V186-Q190 WeakPolarHBondContact O-CG 3.37Å; V186-Q190 PolarHBondContact O-N 3.13Å
187	R	42.4	Very low	36.2	Very low	52 Å²	52	55.5 Å²	55.5	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-41.6	176.4	-74.4	165.6	-165.3	-101.1	2.2	112.4	D183 V184 F185 I189 Q190 I191	D183-R187 WeakPolarHBondContact O-CB 3.48Å; D183-R187 WeakPolarHBondContact O-CD 3.25Å; D183-R187 WeakPolarHBondContact O-CG 3.18Å; D183-R187 PolarHBondContact O-N 3.44Å; D183-R187 IonicContact OD2-CZ 3.64Å; D183-R187 IonicContact OD2-NE 3.73Å; D183-R187 PolarHBondContact OD2-NE 3.33Å; D183-R187 IonicContact OD2-NH2 2.75Å; D183-R187 PolarHBondContact OD2-NH2 2.72Å; V184-R187 PolarHBondContact O-N 3.03Å; F185-R187 PolarHBondContact O-N 2.83Å; R187-I189 VanDerWaalsContact C-N 3.33Å; R187-I189 PolarHBondContact O-N 3.31Å; R187-Q190 PolarHBondContact O-N 3.13Å; R187-I191 WeakPolarHBondContact O-CG1 3.25Å; R187-I191 PolarHBondContact O-N 3.35Å
188	L	42.1	Very low	36	Very low	3 Å²	3	59.2 Å²	59.2	2%	0.016	32%	0.315	C	S	.	.	H	α-helix	trans	-65.9	-33.2	176.8	-73.4	167.5	0	0	0	112.5	V184 F185 I191 M193 L194 L239 Y242 P269	V184-L188 HydrophobicContact CG1-CD1 4Å; V184-L188 WeakPolarHBondContact O-CB 3.43Å; V184-L188 WeakPolarHBondContact O-CG 3.34Å; V184-L188 PolarHBondContact O-N 3.24Å; F185-L188 PolarHBondContact O-N 3.24Å; L188-I191 HydrophobicContact CD2-CD1 4.29Å; L188-M193 HydrophobicContact CD2-CB 4.26Å; L188-M193 HydrophobicContact CD2-SD 4.15Å; L188-M193 PolarHBondContact O-N 2.78Å; L188-L194 HydrophobicContact CB-CD1 3.55Å; L188-L194 HydrophobicContact CB-CG 3.84Å; L188-L194 HydrophobicContact CD1-CD1 4.42Å; L188-L194 PolarHBondContact O-N 2.82Å; L188-L239 HydrophobicContact CD2-CD1 4.3Å; L188-Y242 HydrophobicContact CD2-CE1 4.22Å; L188-P269 HydrophobicContact CD1-CB 3.6Å; L188-P269 HydrophobicContact CD1-CG 3.84Å
189	I	40.5	Very low	35.9	Very low	59 Å²	59	55.1 Å²	55.1	30%	0.303	29%	0.293	S	S	.	.	H	α-helix	trans	-67.2	-47.2	168.2	-67.8	167.8	0	0	0	110.8	F185 V186 R187 I191 G192 L194	F185-I189 HydrophobicContact CD1-CD1 3.87Å; F185-I189 HydrophobicContact CE1-CD1 3.61Å; F185-I189 HydrophobicContact CE2-CD1 4.48Å; F185-I189 HydrophobicContact CG-CD1 4.42Å; F185-I189 HydrophobicContact CZ-CD1 3.94Å; F185-I189 WeakPolarHBondContact O-CG1 3.49Å; F185-I189 PolarHBondContact O-N 2.9Å; V186-I189 PolarHBondContact O-N 3.28Å; R187-I189 VanDerWaalsContact C-N 3.33Å; R187-I189 PolarHBondContact O-N 3.31Å; I189-I191 VanDerWaalsContact C-N 3.29Å; I189-I191 PolarHBondContact O-N 2.7Å; I189-G192 WeakPolarHBondContact O-CA 3.39Å; I189-G192 PolarHBondContact O-N 3.41Å; I189-L194 HydrophobicContact CB-CB 4.48Å; I189-L194 HydrophobicContact CG1-CB 3.63Å; I189-L194 HydrophobicContact CG1-CD1 3.98Å; I189-L194 HydrophobicContact CG1-CG 4.46Å
190	Q	38.9	Very low	35.7	Very low	109 Å²	109	55.2 Å²	55.2	51%	0.509	29%	0.293	S	S	.	.	H	α-helix	trans	-62	-32.6	-176.7	-78.1	173.5	-13.9	0	0	114	V186 R187 G192 S767	V186-Q190 HydrophobicContact CG1-CG 4.27Å; V186-Q190 WeakPolarHBondContact O-CB 3.38Å; V186-Q190 VanDerWaalsContact O-CG 3.24Å; V186-Q190 WeakPolarHBondContact O-CG 3.37Å; V186-Q190 PolarHBondContact O-N 3.13Å; R187-Q190 PolarHBondContact O-N 3.13Å; Q190-G192 VanDerWaalsContact C-N 3.27Å; Q190-S767 PolarHBondContact NE2-OG 3.32Å
191	I	35.5	Very low	35.2	Very low	62 Å²	62	54.2 Å²	54.2	32%	0.318	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	8.9	174.9	69.9	-174.3	0	0	0	113	L168 R187 L188 I189 M193	L168-I191 HydrophobicContact CD1-CD1 3.91Å; L168-I191 HydrophobicContact CD1-CG2 3.86Å; R187-I191 WeakPolarHBondContact O-CG1 3.25Å; R187-I191 PolarHBondContact O-N 3.35Å; L188-I191 HydrophobicContact CD2-CD1 4.29Å; I189-I191 VanDerWaalsContact C-N 3.29Å; I189-I191 PolarHBondContact O-N 2.7Å; I191-M193 VanDerWaalsContact C-N 3.26Å; I191-M193 HydrophobicContact CD1-CG 4.13Å; I191-M193 HydrophobicContact CD1-SD 3.62Å; I191-M193 HydrophobicContact CG1-CB 4.2Å; I191-M193 HydrophobicContact CG1-CG 3.88Å; I191-M193 HydrophobicContact CG1-SD 4.07Å; I191-M193 PolarHBondContact O-N 3.49Å
192	G	30.8	Very low	34.8	Very low	33 Å²	33	56 Å²	56	34%	0.34	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	13.3	175.6	0	0	0	0	0	115.1	I189 Q190 Y246	I189-G192 WeakPolarHBondContact O-CA 3.39Å; I189-G192 PolarHBondContact O-N 3.41Å; Q190-G192 VanDerWaalsContact C-N 3.27Å; G192-Y246 VanDerWaalsContact O-CZ 3.25Å; G192-Y246 PolarHBondContact O-OH 2.76Å
193	M	34.9	Very low	34.3	Very low	5 Å²	5	53.7 Å²	53.7	3%	0.025	29%	0.29	C	S	.	.	S	Bend	trans	-79.7	-29.4	178	-73.2	-176.7	76.7	0	0	112.5	M165 L188 I191 Y242 V243 Y246	M165-M193 HydrophobicContact SD-SD 4.32Å; L188-M193 HydrophobicContact CD2-CB 4.26Å; L188-M193 HydrophobicContact CD2-SD 4.15Å; L188-M193 PolarHBondContact O-N 2.78Å; I191-M193 VanDerWaalsContact C-N 3.26Å; I191-M193 HydrophobicContact CD1-CG 4.13Å; I191-M193 HydrophobicContact CD1-SD 3.62Å; I191-M193 HydrophobicContact CG1-CB 4.2Å; I191-M193 HydrophobicContact CG1-CG 3.88Å; I191-M193 HydrophobicContact CG1-SD 4.07Å; I191-M193 PolarHBondContact O-N 3.49Å; M193-Y242 HydrophobicContact CB-CE1 4.21Å; M193-Y242 HydrophobicContact CE-CD1 3.54Å; M193-Y242 HydrophobicContact CE-CE1 3.54Å; M193-Y242 PolarHBondContact O-OH 3.04Å; M193-Y242 VanDerWaalsContact O-OH 3.04Å; M193-V243 HydrophobicContact CE-CB 4.2Å; M193-V243 HydrophobicContact CE-CG2 3.49Å; M193-V243 VanDerWaalsContact CE-CG2 3.49Å; M193-V243 HydrophobicContact SD-CG2 4.15Å; M193-Y246 HydrophobicContact CB-CD1 4.45Å; M193-Y246 HydrophobicContact CE-CD1 4.31Å; M193-Y246 HydrophobicContact CE-CG 4.28Å; M193-Y246 HydrophobicContact CG-CD1 3.74Å; M193-Y246 HydrophobicContact CG-CE1 3.97Å; M193-Y246 HydrophobicContact CG-CG 4.26Å
194	L	37	Very low	33.7	Very low	14 Å²	14	55.7 Å²	55.7	7%	0.073	30%	0.301	C	S	.	.	S	Bend	trans	-99.6	120.6	166.1	-70.3	171.8	0	0	0	109.7	F185 L188 I189 P196 V267	F185-L194 HydrophobicContact CD2-CD1 3.46Å; F185-L194 VanDerWaalsContact CD2-CD1 3.46Å; F185-L194 HydrophobicContact CE2-CD1 3.72Å; F185-L194 HydrophobicContact CG-CD1 4.29Å; L188-L194 HydrophobicContact CB-CD1 3.55Å; L188-L194 HydrophobicContact CB-CG 3.84Å; L188-L194 HydrophobicContact CD1-CD1 4.42Å; L188-L194 PolarHBondContact O-N 2.82Å; I189-L194 HydrophobicContact CB-CB 4.48Å; I189-L194 HydrophobicContact CG1-CB 3.63Å; I189-L194 HydrophobicContact CG1-CD1 3.98Å; I189-L194 HydrophobicContact CG1-CG 4.46Å; L194-P196 WeakPolarHBondContact O-CD 3.42Å; L194-V267 HydrophobicContact CD2-CB 3.56Å; L194-V267 HydrophobicContact CD2-CG1 3.58Å
195	V	34.3	Very low	33.1	Very low	119 Å²	119	61 Å²	61	72%	0.721	32%	0.32	S	S	*	.			trans	-88	110.6	170.9	-179.6	0	0	0	0	108.3	N197	V195-N197 PolarHBondContact O-N 3.09Å; V195-N197 VanDerWaalsContact O-N 3.11Å
196	P	30	Very low	32.2	Very low	80 Å²	80	64.7 Å²	64.7	52%	0.519	34%	0.341	S	S	.	.			trans	-69.3	111.1	178.2	27.7	-33.4	0	0	0	109.8	L194 I198	L194-P196 WeakPolarHBondContact O-CD 3.42Å; P196-I198 PolarHBondContact O-N 2.77Å
197	N	32.5	Very low	31.5	Very low	42 Å²	42	67.7 Å²	67.7	23%	0.225	36%	0.36	C	S	.	.			trans	-77.8	64.7	-176.7	-170.9	25.1	0	0	0	112.7	V195 D199 K263	V195-N197 PolarHBondContact O-N 3.09Å; V195-N197 VanDerWaalsContact O-N 3.11Å; N197-D199 PolarHBondContact O-N 3.27Å; N197-K263 VanDerWaalsContact ND2-C 3.34Å; N197-K263 PolarHBondContact ND2-O 3Å
198	I	26.9	Very low	30.6	Very low	129 Å²	129	70.7 Å²	70.7	66%	0.662	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	38	-44.3	156.3	-54	-178.6	0	0	0	119.7	P196	P196-I198 PolarHBondContact O-N 2.77Å
199	D	28.7	Very low	29.8	Very low	47 Å²	47	75 Å²	75	25%	0.251	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-22	-174.9	-81.2	-47.8	0	0	0	114.5	N197 M201 K202 M290 I319	N197-D199 PolarHBondContact O-N 3.27Å; D199-M201 PolarHBondContact O-N 2.89Å; D199-M201 VanDerWaalsContact O-N 3.11Å; D199-K202 WeakPolarHBondContact O-CB 3.36Å; D199-K202 PolarHBondContact O-N 3.2Å; D199-K202 VanDerWaalsContact OD1-CD 3.32Å; D199-K202 WeakPolarHBondContact OD1-CD 3.38Å; D199-K202 WeakPolarHBondContact OD1-CE 3.29Å; D199-K202 IonicContact OD1-NZ 3.71Å; D199-K202 PolarHBondContact OD1-NZ 3.19Å; D199-M290 HydrophobicContact CB-CE 3.83Å; D199-I319 HydrophobicContact CB-CD1 4.12Å; D199-I319 HydrophobicContact CB-CG2 3.99Å
200	S	27.7	Very low	29.1	Very low	43 Å²	43	74.9 Å²	74.9	30%	0.301	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-11.4	179.9	50.4	0	0	0	0	113.8
201	M	26.7	Very low	28.6	Very low	97 Å²	97	72.6 Å²	72.6	48%	0.478	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	19.9	177.9	-61	-74.9	-75.6	0	0	112.7	I98 D199	I98-M201 HydrophobicContact CG2-CE 3.67Å; D199-M201 PolarHBondContact O-N 2.89Å; D199-M201 VanDerWaalsContact O-N 3.11Å
202	K	26.4	Very low	28.3	Very low	61 Å²	61	74.4 Å²	74.4	27%	0.265	42%	0.417	S	S	.	.			trans	-110.8	-2.3	-177.8	-69.3	-178.7	177.4	173	0	115.6	D199 D204 I319	D199-K202 WeakPolarHBondContact O-CB 3.36Å; D199-K202 PolarHBondContact O-N 3.2Å; D199-K202 VanDerWaalsContact OD1-CD 3.32Å; D199-K202 WeakPolarHBondContact OD1-CD 3.38Å; D199-K202 WeakPolarHBondContact OD1-CE 3.29Å; D199-K202 IonicContact OD1-NZ 3.71Å; D199-K202 PolarHBondContact OD1-NZ 3.19Å; K202-D204 PolarHBondContact O-N 2.98Å; K202-I319 HydrophobicContact CD-CD1 3.84Å
203	E	25.7	Very low	28.3	Very low	31 Å²	31	78.6 Å²	78.6	15%	0.145	43%	0.427	C	S	.	.			trans	-88	91.8	-179.3	-82.3	-173.7	-129.8	0	0	113.3	R205 S289 N293 A314	E203-R205 HydrophobicContact CB-CG 4.34Å; E203-R205 PolarHBondContact O-N 3.39Å; E203-R205 IonicContact OE2-CZ 3.62Å; E203-R205 IonicContact OE2-NE 3.14Å; E203-R205 PolarHBondContact OE2-NE 3.26Å; E203-R205 IonicContact OE2-NH2 3.57Å; E203-R205 PolarHBondContact OE2-NH2 2.92Å; E203-S289 VanDerWaalsContact CD-CB 3.49Å; E203-S289 WeakPolarHBondContact OE1-CA 3.23Å; E203-S289 WeakPolarHBondContact OE1-CB 3.19Å; E203-N293 PolarHBondContact OE1-ND2 2.8Å; E203-A314 HydrophobicContact CG-CB 4.27Å
204	D	27.4	Very low	28.3	Very low	68 Å²	68	78.9 Å²	78.9	36%	0.364	43%	0.429	S	S	.	.			trans	-67.6	90.8	159.9	-76.5	-54.4	0	0	0	110.2	K202 L206	K202-D204 PolarHBondContact O-N 2.98Å; D204-L206 VanDerWaalsContact C-N 3.26Å; D204-L206 PolarHBondContact O-N 3.4Å
205	R	25.5	Very low	28.2	Very low	123 Å²	123	82.5 Å²	82.5	46%	0.464	45%	0.451	S	S	.	.			trans	-82.1	69.8	174	-69.1	-170.7	172.1	-150.4	-9	111.3	E203	E203-R205 HydrophobicContact CB-CG 4.34Å; E203-R205 PolarHBondContact O-N 3.39Å; E203-R205 IonicContact OE2-CZ 3.62Å; E203-R205 IonicContact OE2-NE 3.14Å; E203-R205 PolarHBondContact OE2-NE 3.26Å; E203-R205 IonicContact OE2-NH2 3.57Å; E203-R205 PolarHBondContact OE2-NH2 2.92Å
206	L	22.8	Very low	28.5	Very low	132 Å²	132	78.9 Å²	78.9	69%	0.691	44%	0.438	S	S	*	.			trans	-75.6	137	174.5	-96.5	167.2	0	0	0	112.2	D204	D204-L206 VanDerWaalsContact C-N 3.26Å; D204-L206 PolarHBondContact O-N 3.4Å
207	T	24.5	Very low	29.3	Very low	113 Å²	113	75.6 Å²	75.6	69%	0.693	42%	0.419	S	S	*	.			trans	-58.5	131.9	177.1	-46.9	0	0	0	0	111.5	A209	T207-A209 PolarHBondContact O-N 2.88Å
208	Y	24	Very low	30	Very low	115 Å²	115	78.5 Å²	78.5	45%	0.451	44%	0.438	S	S	.	.			trans	-66.4	97.5	164.7	-76.5	-70.8	0	0	0	110.5	V210 A310 L311 P312	Y208-V210 VanDerWaalsContact C-N 3.34Å; Y208-V210 PolarHBondContact O-N 3.28Å; Y208-A310 HydrophobicContact CD1-CB 4.14Å; Y208-A310 HydrophobicContact CE1-CB 3.52Å; Y208-L311 PolarHBondContact OH-O 3.3Å; Y208-P312 WeakPolarHBondContact OH-CA 3.44Å
209	A	25.5	Very low	30.9	Very low	92 Å²	92	76.7 Å²	76.7	76%	0.76	43%	0.425	S	S	*	.			trans	-66.1	98.3	156.3	0	0	0	0	0	107.8	T207 N211	T207-A209 PolarHBondContact O-N 2.88Å; A209-N211 PolarHBondContact O-N 2.85Å
210	V	25.9	Very low	31.6	Very low	58 Å²	58	76.9 Å²	76.9	35%	0.352	43%	0.431	S	S	.	.			trans	-61.2	110	165.1	179.2	0	0	0	0	106.1	Y208 F214 F219	Y208-V210 VanDerWaalsContact C-N 3.34Å; Y208-V210 PolarHBondContact O-N 3.28Å; V210-F214 HydrophobicContact CG1-CB 3.66Å; V210-F219 HydrophobicContact CG2-CE1 4.4Å; V210-F219 HydrophobicContact CG2-CZ 4.25Å
211	N	28.8	Very low	32.3	Very low	60 Å²	60	83.3 Å²	83.3	32%	0.321	45%	0.45	S	S	.	.			trans	-49.4	133.9	175.8	171.4	-10	0	0	0	108.4	A209 E213 F214	A209-N211 PolarHBondContact O-N 2.85Å; N211-E213 VanDerWaalsContact ND2-CD 3.35Å; N211-E213 PolarHBondContact ND2-OE1 2.6Å; N211-E213 PolarHBondContact O-N 3.02Å; N211-E213 WeakPolarHBondContact OD1-CB 3.45Å; N211-E213 WeakPolarHBondContact OD1-CG 3.45Å; N211-E213 PolarHBondContact OD1-N 2.81Å; N211-E213 PolarHBondContact OD1-OE1 3.42Å; N211-F214 HydrophobicContact CB-CD2 4.27Å; N211-F214 PolarHBondContact O-N 2.9Å
212	P	27.7	Very low	33.1	Very low	101 Å²	101	79.5 Å²	79.5	66%	0.656	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-49.7	-25.4	178.3	17.3	-32.1	0	0	0	114.5	F214 V215 R303	P212-F214 PolarHBondContact O-N 2.87Å; P212-F214 VanDerWaalsContact O-N 3.15Å; P212-V215 PolarHBondContact O-N 3.31Å; P212-R303 PolarHBondContact O-NH1 3.11Å
213	E	31.2	Very low	33.6	Very low	120 Å²	120	82.7 Å²	82.7	56%	0.561	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-55.1	-23.1	168.7	-69.6	174.8	-116.4	0	0	114.5	N211 R303	N211-E213 VanDerWaalsContact ND2-CD 3.35Å; N211-E213 PolarHBondContact ND2-OE1 2.6Å; N211-E213 PolarHBondContact O-N 3.02Å; N211-E213 WeakPolarHBondContact OD1-CB 3.45Å; N211-E213 WeakPolarHBondContact OD1-CG 3.45Å; N211-E213 PolarHBondContact OD1-N 2.81Å; N211-E213 PolarHBondContact OD1-OE1 3.42Å; E213-R303 VanDerWaalsContact C-NH1 3.32Å; E213-R303 WeakPolarHBondContact O-CD 3.43Å; E213-R303 PolarHBondContact O-NH1 3.47Å
214	F	35.4	Very low	34.1	Very low	11 Å²	11	82.9 Å²	82.9	5%	0.048	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-107	6	-179.4	-71.7	-90.2	0	0	0	114.3	V210 N211 P212 G216 G217 V301 R303 T306 L308	V210-F214 HydrophobicContact CG1-CB 3.66Å; N211-F214 HydrophobicContact CB-CD2 4.27Å; N211-F214 PolarHBondContact O-N 2.9Å; P212-F214 PolarHBondContact O-N 2.87Å; P212-F214 VanDerWaalsContact O-N 3.15Å; F214-G216 PolarHBondContact O-N 2.86Å; F214-G217 PolarHBondContact O-N 3.4Å; F214-V301 HydrophobicContact CB-CG1 4.07Å; F214-V301 HydrophobicContact CD1-CB 4.03Å; F214-V301 HydrophobicContact CD1-CG1 3.99Å; F214-V301 VanDerWaalsContact CE1-O 3.31Å; F214-V301 WeakPolarHBondContact CE1-O 3.49Å; F214-V301 HydrophobicContact CG-CG1 4.42Å; F214-R303 HydrophobicContact CD1-CB 4.31Å; F214-T306 HydrophobicContact CE1-CG2 4.25Å; F214-T306 HydrophobicContact CE2-CG2 4.31Å; F214-T306 HydrophobicContact CZ-CG2 3.57Å; F214-L308 HydrophobicContact CD1-CB 4.21Å; F214-L308 HydrophobicContact CD2-CB 4.42Å; F214-L308 HydrophobicContact CD2-CD2 4.43Å; F214-L308 HydrophobicContact CE1-CB 3.7Å; F214-L308 HydrophobicContact CE2-CB 3.94Å; F214-L308 HydrophobicContact CZ-CB 3.54Å
215	V	35.5	Very low	34.5	Very low	90 Å²	90	84.8 Å²	84.8	55%	0.545	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	123.5	170.5	172.1	0	0	0	0	109.3	P212 R303	P212-V215 PolarHBondContact O-N 3.31Å; V215-R303 PolarHBondContact O-NE 3.24Å; V215-R303 VanDerWaalsContact O-NE 3.13Å; V215-R303 PolarHBondContact O-NH1 2.87Å; V215-R303 PolarHBondContact O-NH2 3.38Å; V215-R303 VanDerWaalsContact O-NH2 3.13Å
216	G	39.7	Very low	34.8	Very low	44 Å²	44	83.3 Å²	83.3	45%	0.454	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	12.3	-170.4	0	0	0	0	0	114.7	F214	F214-G216 PolarHBondContact O-N 2.86Å
217	G	48	Very low	35.4	Very low	10 Å²	10	88 Å²	88	10%	0.103	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-77.9	149.7	168.9	0	0	0	0	0	113.1	F214 F219 T302	F214-G217 PolarHBondContact O-N 3.4Å; G217-F219 WeakPolarHBondContact O-CD2 3.17Å; G217-T302 CarbonylContact C-O 3.4Å; G217-T302 WeakPolarHBondContact CA-O 3.34Å
218	T	47.1	Very low	36.1	Very low	103 Å²	103	88.3 Å²	88.3	63%	0.632	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.4	172.5	38.1	0	0	0	0	111.1	T302	T218-T302 PolarHBondContact N-O 2.85Å; T218-T302 PolarHBondContact O-N 3.38Å; T218-T302 PolarHBondContact OG1-O 3.05Å
219	F	44.6	Very low	36.9	Very low	91 Å²	91	89.4 Å²	89.4	40%	0.399	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	145.6	174.6	-67.4	-100.9	0	0	0	110.6	V210 G217 L299 S300 V301	V210-F219 HydrophobicContact CG2-CE1 4.4Å; V210-F219 HydrophobicContact CG2-CZ 4.25Å; G217-F219 WeakPolarHBondContact O-CD2 3.17Å; F219-L299 HydrophobicContact CD1-CD1 4.22Å; F219-S300 CarbonylContact C-O 3.57Å; F219-S300 WeakPolarHBondContact CA-O 3.48Å; F219-V301 HydrophobicContact CD1-CB 4.37Å; F219-V301 HydrophobicContact CD1-CG1 4.06Å; F219-V301 HydrophobicContact CD1-CG2 3.67Å; F219-V301 HydrophobicContact CD2-CG1 4.27Å; F219-V301 HydrophobicContact CE1-CB 4.28Å; F219-V301 HydrophobicContact CE1-CG1 3.8Å; F219-V301 HydrophobicContact CE1-CG2 3.49Å; F219-V301 VanDerWaalsContact CE1-CG2 3.49Å; F219-V301 HydrophobicContact CE2-CG1 4.01Å; F219-V301 HydrophobicContact CG-CG1 4.29Å; F219-V301 HydrophobicContact CZ-CG1 3.77Å; F219-V301 HydrophobicContact CZ-CG2 4.26Å
220	S	43.9	Very low	37.8	Very low	52 Å²	52	86.4 Å²	86.4	36%	0.364	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	157.5	176.4	52.8	0	0	0	0	110.4	S300	S220-S300 PolarHBondContact N-O 3.19Å; S220-S300 PolarHBondContact O-N 3.2Å; S220-S300 WeakPolarHBondContact OG-CB 3.44Å; S220-S300 PolarHBondContact OG-O 3.43Å; S220-S300 VanDerWaalsContact OG-O 3.13Å
221	Y	42.8	Very low	38.8	Very low	177 Å²	177	91.9 Å²	91.9	69%	0.694	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.9	-178.4	-66.4	-87.2	0	0	0	110.8	P297 V298 L299	Y221-P297 HydrophobicContact CD1-CG 4.17Å; Y221-V298 CarbonylContact C-O 3.53Å; Y221-V298 WeakPolarHBondContact CA-O 3.44Å; Y221-L299 HydrophobicContact CD1-CD1 4.01Å; Y221-L299 HydrophobicContact CE1-CD1 3.61Å
222	G	42.2	Very low	39.9	Very low	18 Å²	18	90.7 Å²	90.7	19%	0.186	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-75.5	150.9	172.2	0	0	0	0	0	112.4	C224 P297 V298	G222-C224 PolarHBondContact O-N 3.25Å; G222-P297 WeakPolarHBondContact O-CB 3.4Å; G222-V298 PolarHBondContact N-O 2.93Å
223	P	37.8	Very low	41.1	Very low	127 Å²	127	86.7 Å²	86.7	83%	0.825	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-66.2	132.8	-178.3	27.2	-34.6	0	0	0	112.3	S225	P223-S225 PolarHBondContact O-N 3.27Å
224	C	36.9	Very low	42.2	Very low	35 Å²	35	81.1 Å²	81.1	24%	0.236	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-60.1	134.5	173	-44.2	0	0	0	0	111.2	G222 Q295 K400	G222-C224 PolarHBondContact O-N 3.25Å; C224-Q295 PolarHBondContact SG-O 3Å; C224-K400 PolarHBondContact SG-NZ 2.83Å
225	S	33.8	Very low	43.3	Very low	108 Å²	108	80.6 Å²	80.6	76%	0.755	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-67	143.4	162	-161.7	0	0	0	0	109.9	P223	P223-S225 PolarHBondContact O-N 3.27Å
226	P	32.6	Very low	44.3	Very low	93 Å²	93	76.3 Å²	76.3	60%	0.604	41%	0.409	S	S	*	.			trans	-118.8	172.3	-150.6	42.1	-32.6	0	0	0	117
227	R	35.8	Very low	45.2	Very low	230 Å²	230	74.2 Å²	74.2	87%	0.868	39%	0.388	S	S	*	.			trans	91.2	10.1	156.2	-58.3	-173.4	175	-177.8	-1.9	121.8	V229	R227-V229 PolarHBondContact O-N 2.62Å
228	H	38.5	Very low	45.7	Very low	120 Å²	120	73.8 Å²	73.8	56%	0.556	38%	0.383	S	S	*	.			trans	-80.2	101.5	169.7	-79.1	68.1	0	0	0	111.8	Y230 Q295	H228-Y230 HydrophobicContact CB-CE1 4.14Å; H228-Y230 HydrophobicContact CB-CE2 4.39Å; H228-Q295 PolarHBondContact O-NE2 2.82Å
229	V	41.6	Very low	46.3	Very low	138 Å²	138	69.1 Å²	69.1	84%	0.836	35%	0.354	S	S	*	.			trans	-97.4	104.6	174.3	-179.3	0	0	0	0	108.9	R227	R227-V229 PolarHBondContact O-N 2.62Å
230	Y	44.8	Very low	46.8	Very low	28 Å²	28	66.3 Å²	66.3	11%	0.11	34%	0.343	C	S	.	.			trans	-82	132.3	177.6	-55.8	-57.9	0	0	0	110.7	H228 V232 I291 A294 P322	H228-Y230 HydrophobicContact CB-CE1 4.14Å; H228-Y230 HydrophobicContact CB-CE2 4.39Å; Y230-V232 PolarHBondContact O-N 2.78Å; Y230-I291 HydrophobicContact CD2-CG2 4.36Å; Y230-I291 HydrophobicContact CE2-CG2 4.43Å; Y230-A294 WeakPolarHBondContact OH-CB 3.24Å; Y230-P322 WeakPolarHBondContact CD1-O 2.91Å; Y230-P322 WeakPolarHBondContact CE1-O 3.43Å
231	R	46.5	Very low	47.8	Very low	173 Å²	173	64.8 Å²	64.8	65%	0.653	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	123.4	163.8	-82.8	-166.1	177	-164.5	2.6	108.9	R324 V325	R231-R324 HydrophobicContact CB-CG 4.43Å; R231-R324 CarbonylContact O-C 3.5Å; R231-V325 PolarHBondContact O-N 3.12Å
232	V	50.8	Low	48.8	Very low	36 Å²	36	56.4 Å²	56.4	22%	0.218	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.2	-179.8	-169.3	0	0	0	0	109.5	Y230 V325 F327 L367	Y230-V232 PolarHBondContact O-N 2.78Å; V232-V325 WeakPolarHBondContact CA-O 3.23Å; V232-V325 HydrophobicContact CG1-CB 4.3Å; V232-V325 HydrophobicContact CG2-CB 4.35Å; V232-F327 HydrophobicContact CG1-CD2 3.75Å; V232-F327 HydrophobicContact CG1-CE2 3.43Å; V232-F327 VanDerWaalsContact CG1-CE2 3.43Å; V232-F327 HydrophobicContact CG1-CZ 4.47Å; V232-L367 HydrophobicContact CB-CB 4.12Å; V232-L367 HydrophobicContact CG1-CB 3.58Å; V232-L367 HydrophobicContact CG1-CD1 3.83Å; V232-L367 HydrophobicContact CG1-CG 4.18Å; V232-L367 PolarHBondContact O-N 2.78Å
233	E	54.2	Low	49.6	Very low	17 Å²	17	55.7 Å²	55.7	8%	0.079	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.6	-170.2	-65.7	168.8	-146.5	0	0	110.5	R324 V325 L326 F327 S364 T365	E233-R324 IonicContact OE1-CZ 3.3Å; E233-R324 IonicContact OE1-NE 3.33Å; E233-R324 IonicContact OE1-NH2 2.7Å; E233-R324 PolarHBondContact OE1-NH2 3.33Å; E233-R324 IonicContact OE2-CZ 3.57Å; E233-R324 IonicContact OE2-NE 2.75Å; E233-R324 IonicContact OE2-NH2 2.77Å; E233-R324 PolarHBondContact OE2-NH2 2.77Å; E233-V325 PolarHBondContact N-O 2.59Å; E233-L326 HydrophobicContact CB-CD2 3.96Å; E233-F327 PolarHBondContact O-N 3.06Å; E233-S364 PolarHBondContact OE2-OG 3.02Å; E233-T365 WeakPolarHBondContact CA-O 3.33Å
234	A	54.3	Low	50.7	Low	2 Å²	2	51.6 Å²	51.6	2%	0.017	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.7	-179.8	0	0	0	0	0	113	F327 S364 T365 L370	A234-F327 VanDerWaalsContact CA-O 3.29Å; A234-F327 WeakPolarHBondContact CA-O 3.48Å; A234-F327 HydrophobicContact CB-CB 3.92Å; A234-S364 WeakPolarHBondContact O-CA 3.31Å; A234-T365 PolarHBondContact N-O 3.35Å; A234-T365 PolarHBondContact O-N 2.98Å; A234-L370 HydrophobicContact CB-CD1 3.89Å
235	M	57.1	Low	51.9	Low	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	143.8	177.1	173.5	-166	179.2	0	0	109.3	M237 I253 F256 F327 L329 W355 P362	M235-M237 HydrophobicContact CE-CB 4.37Å; M235-M237 HydrophobicContact CE-CE 3.45Å; M235-M237 VanDerWaalsContact CE-CE 3.45Å; M235-M237 HydrophobicContact SD-CE 3.56Å; M235-M237 VanDerWaalsContact SD-CE 3.56Å; M235-I253 HydrophobicContact CE-CG2 3.88Å; M235-I253 HydrophobicContact SD-CG2 4.46Å; M235-F256 HydrophobicContact CB-CD1 4.22Å; M235-F256 HydrophobicContact CB-CD2 4.41Å; M235-F256 HydrophobicContact CB-CE1 3.64Å; M235-F256 HydrophobicContact CB-CE2 3.88Å; M235-F256 HydrophobicContact CB-CZ 3.46Å; M235-F256 VanDerWaalsContact CB-CZ 3.46Å; M235-F256 HydrophobicContact CG-CD2 4.43Å; M235-F256 HydrophobicContact CG-CE1 4.5Å; M235-F256 HydrophobicContact CG-CE2 4.27Å; M235-F256 HydrophobicContact CG-CZ 4.3Å; M235-F256 HydrophobicContact SD-CB 3.8Å; M235-F256 HydrophobicContact SD-CD1 3.77Å; M235-F256 HydrophobicContact SD-CD2 3.35Å; M235-F256 WeakPolarHBondContact SD-CD2 3.45Å; M235-F256 HydrophobicContact SD-CE1 4.13Å; M235-F256 HydrophobicContact SD-CE2 3.77Å; M235-F256 HydrophobicContact SD-CG 3.34Å; M235-F256 WeakPolarHBondContact SD-CG 3.19Å; M235-F256 HydrophobicContact SD-CZ 4.14Å; M235-F327 PolarHBondContact N-O 3.38Å; M235-L329 PolarHBondContact O-N 3.09Å; M235-W355 HydrophobicContact CE-CB 3.37Å; M235-W355 HydrophobicContact CE-CD2 3.81Å; M235-W355 HydrophobicContact CE-CE3 3.93Å; M235-W355 HydrophobicContact CE-CG 3.58Å; M235-P362 HydrophobicContact CE-CB 3.58Å; M235-P362 HydrophobicContact SD-CB 3.89Å
236	A	56.9	Low	53.2	Low	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.6	173.6	0	0	0	0	0	112.2	W278 L329 W341 V352 P353 V354 W355	A236-W278 HydrophobicContact CB-CH2 3.76Å; A236-W278 HydrophobicContact CB-CZ2 4.27Å; A236-L329 WeakPolarHBondContact CA-O 3.11Å; A236-L329 HydrophobicContact CB-CB 4.4Å; A236-W341 HydrophobicContact CB-CH2 3.89Å; A236-W341 HydrophobicContact CB-CZ3 4.28Å; A236-V352 HydrophobicContact CB-CG1 3.92Å; A236-P353 WeakPolarHBondContact CB-O 3.49Å; A236-P353 PolarHBondContact N-O 3.44Å; A236-V354 HydrophobicContact CB-CG2 3.8Å; A236-W355 PolarHBondContact O-N 3.01Å
237	M	59.7	Low	54.2	Low	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	146.4	176	60	175.2	66.4	0	0	112.7	M235 R241 Y242 V328 L329 V330 D331 W355	M235-M237 HydrophobicContact CE-CB 4.37Å; M235-M237 HydrophobicContact CE-CE 3.45Å; M235-M237 VanDerWaalsContact CE-CE 3.45Å; M235-M237 HydrophobicContact SD-CE 3.56Å; M235-M237 VanDerWaalsContact SD-CE 3.56Å; M237-R241 HydrophobicContact CB-CB 4.41Å; M237-Y242 VanDerWaalsContact SD-CA 3.56Å; M237-Y242 HydrophobicContact SD-CD2 3.76Å; M237-Y242 HydrophobicContact SD-CG 4.21Å; M237-V328 HydrophobicContact CE-CG1 3.76Å; M237-V328 HydrophobicContact CG-CG1 3.94Å; M237-V328 HydrophobicContact SD-CG1 3.74Å; M237-L329 PolarHBondContact N-O 2.77Å; M237-V330 WeakPolarHBondContact O-CA 3.08Å; M237-D331 PolarHBondContact O-N 2.7Å; M237-W355 HydrophobicContact CB-CB 4.39Å; M237-W355 HydrophobicContact CB-CE3 4.25Å; M237-W355 HydrophobicContact CE-CE3 4.3Å
238	P	58.4	Low	55.4	Low	1 Å²	1	44.6 Å²	44.6	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	151.8	169.6	-24.1	35	0	0	0	112.2	D240 R241 Y242 W341	P238-D240 VanDerWaalsContact C-N 3.3Å; P238-D240 WeakPolarHBondContact CB-OD1 3.48Å; P238-D240 PolarHBondContact O-N 3.4Å; P238-R241 HydrophobicContact CB-CB 4.34Å; P238-R241 HydrophobicContact CB-CG 4.24Å; P238-R241 HydrophobicContact CG-CB 4.49Å; P238-R241 HydrophobicContact CG-CG 4.11Å; P238-R241 WeakPolarHBondContact O-CB 3.07Å; P238-R241 PolarHBondContact O-N 2.95Å; P238-R241 VanDerWaalsContact O-N 3.1Å; P238-Y242 PolarHBondContact O-N 2.79Å; P238-W341 VanDerWaalsContact CD-CZ3 3.49Å; P238-W341 HydrophobicContact CG-CD2 3.97Å; P238-W341 HydrophobicContact CG-CE3 3.54Å; P238-W341 HydrophobicContact CG-CG 4.47Å; P238-W341 HydrophobicContact CG-CZ3 4.01Å
239	L	59.5	Low	56.1	Low	5 Å²	5	42.3 Å²	42.3	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-31.8	-179.5	177.2	57	0	0	0	113.8	A169 L172 L188 Y242 V243 V330 D331 A332	A169-L239 HydrophobicContact CB-CD2 3.86Å; A169-L239 HydrophobicContact CB-CG 3.85Å; L172-L239 HydrophobicContact CB-CD2 3.82Å; L172-L239 HydrophobicContact CD1-CD2 3.54Å; L172-L239 HydrophobicContact CG-CD2 4.31Å; L188-L239 HydrophobicContact CD2-CD1 4.3Å; L239-Y242 HydrophobicContact CD1-CD1 4.14Å; L239-Y242 PolarHBondContact O-N 3.43Å; L239-V243 WeakPolarHBondContact O-CB 3.49Å; L239-V243 VanDerWaalsContact O-CG2 3.26Å; L239-V243 WeakPolarHBondContact O-CG2 3.42Å; L239-V243 PolarHBondContact O-N 3.14Å; L239-V330 HydrophobicContact CB-CG1 3.95Å; L239-V330 HydrophobicContact CD1-CG1 3.61Å; L239-V330 HydrophobicContact CG-CG1 4.35Å; L239-D331 VanDerWaalsContact CB-O 3.3Å; L239-D331 WeakPolarHBondContact CB-O 3.16Å; L239-D331 PolarHBondContact N-O 3.04Å; L239-A332 HydrophobicContact CD2-CB 4.5Å
240	D	55.7	Low	56.7	Low	32 Å²	32	36.9 Å²	36.9	17%	0.171	17%	0.171	C	C	.	.	H	α-helix	trans	-73.1	-33.2	173	54.9	4.2	0	0	0	113	P238 V243 D244 S335 D336	P238-D240 VanDerWaalsContact C-N 3.3Å; P238-D240 WeakPolarHBondContact CB-OD1 3.48Å; P238-D240 PolarHBondContact O-N 3.4Å; D240-V243 WeakPolarHBondContact O-CB 3.17Å; D240-V243 PolarHBondContact O-N 3.03Å; D240-D244 PolarHBondContact O-N 3.27Å; D240-S335 VanDerWaalsContact OD2-CA 3.26Å; D240-S335 WeakPolarHBondContact OD2-CA 3.48Å; D240-S335 WeakPolarHBondContact OD2-CB 3.28Å; D240-D336 PolarHBondContact OD1-N 3.04Å; D240-D336 WeakPolarHBondContact OD2-CB 3.29Å; D240-D336 PolarHBondContact OD2-N 3.49Å
241	R	63.6	Low	57.2	Low	20 Å²	20	38.1 Å²	38.1	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-65.8	-38.4	168.1	-69.3	-62.5	-174.6	-166.1	3.2	112.8	M237 P238 V243 D244 A245 D336 W355	M237-R241 HydrophobicContact CB-CB 4.41Å; P238-R241 HydrophobicContact CB-CB 4.34Å; P238-R241 HydrophobicContact CB-CG 4.24Å; P238-R241 HydrophobicContact CG-CB 4.49Å; P238-R241 HydrophobicContact CG-CG 4.11Å; P238-R241 WeakPolarHBondContact O-CB 3.07Å; P238-R241 PolarHBondContact O-N 2.95Å; P238-R241 VanDerWaalsContact O-N 3.1Å; R241-V243 VanDerWaalsContact C-N 3.33Å; R241-D244 PolarHBondContact O-N 2.67Å; R241-A245 WeakPolarHBondContact O-CB 2.92Å; R241-A245 PolarHBondContact O-N 3.1Å; R241-D336 IonicContact CZ-OD1 3.34Å; R241-D336 IonicContact CZ-OD2 3.47Å; R241-D336 VanDerWaalsContact CZ-OD2 3.25Å; R241-D336 IonicContact NE-OD1 2.65Å; R241-D336 PolarHBondContact NE-OD1 3.06Å; R241-D336 IonicContact NE-OD2 3.49Å; R241-D336 IonicContact NH1-OD2 2.88Å; R241-D336 IonicContact NH2-OD1 2.68Å; R241-D336 PolarHBondContact NH2-OD1 2.95Å; R241-D336 IonicContact NH2-OD2 3.34Å; R241-D336 PolarHBondContact NH2-OD2 3.33Å; R241-W355 HydrophobicContact CB-CE3 3.9Å; R241-W355 HydrophobicContact CB-CZ3 3.89Å; R241-W355 HydrophobicContact CG-CE3 4.35Å; R241-W355 HydrophobicContact CG-CZ3 4.46Å
242	Y	63.5	Low	57.6	Low	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.8	-37.1	171.5	179.4	-107.8	0	0	0	112.2	L188 M193 M237 P238 L239 A245 Y246 W261 V267 V328 V330	L188-Y242 HydrophobicContact CD2-CE1 4.22Å; M193-Y242 HydrophobicContact CB-CE1 4.21Å; M193-Y242 HydrophobicContact CE-CD1 3.54Å; M193-Y242 HydrophobicContact CE-CE1 3.54Å; M193-Y242 PolarHBondContact O-OH 3.04Å; M193-Y242 VanDerWaalsContact O-OH 3.04Å; M237-Y242 VanDerWaalsContact SD-CA 3.56Å; M237-Y242 HydrophobicContact SD-CD2 3.76Å; M237-Y242 HydrophobicContact SD-CG 4.21Å; P238-Y242 PolarHBondContact O-N 2.79Å; L239-Y242 HydrophobicContact CD1-CD1 4.14Å; L239-Y242 PolarHBondContact O-N 3.43Å; Y242-A245 WeakPolarHBondContact O-CB 3.47Å; Y242-Y246 WeakPolarHBondContact O-CB 3.23Å; Y242-Y246 PolarHBondContact O-N 3.22Å; Y242-W261 HydrophobicContact CD2-CH2 4.03Å; Y242-W261 AromaticContact CE2-CH2 3.32Å; Y242-W261 HydrophobicContact CE2-CH2 3.32Å; Y242-W261 HydrophobicContact CE2-CZ2 4.07Å; Y242-W261 HydrophobicContact CE2-CZ3 4.01Å; Y242-W261 AromaticContact CZ-CH2 3.95Å; Y242-V267 HydrophobicContact CE2-CG1 3.71Å; Y242-V267 HydrophobicContact CE2-CG2 4.4Å; Y242-V328 HydrophobicContact CD2-CG1 4.13Å; Y242-V328 HydrophobicContact CE2-CG1 4.39Å; Y242-V330 HydrophobicContact CD1-CG1 3.95Å; Y242-V330 HydrophobicContact CD1-CG2 3.97Å; Y242-V330 HydrophobicContact CD2-CG2 3.59Å; Y242-V330 HydrophobicContact CE1-CG2 4.29Å; Y242-V330 HydrophobicContact CE2-CG2 3.95Å; Y242-V330 HydrophobicContact CG-CB 4.43Å; Y242-V330 HydrophobicContact CG-CG1 3.87Å; Y242-V330 HydrophobicContact CG-CG2 3.61Å
243	V	59.7	Low	58	Low	4 Å²	4	34.2 Å²	34.2	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-46.5	172	159.5	0	0	0	0	111.9	M165 M193 L239 D240 R241 Y246 R247	M165-V243 HydrophobicContact CB-CG1 4.05Å; M165-V243 HydrophobicContact CB-CG2 4.06Å; M165-V243 HydrophobicContact SD-CG1 3.78Å; M165-V243 HydrophobicContact SD-CG2 4.37Å; M193-V243 HydrophobicContact CE-CB 4.2Å; M193-V243 HydrophobicContact CE-CG2 3.49Å; M193-V243 VanDerWaalsContact CE-CG2 3.49Å; M193-V243 HydrophobicContact SD-CG2 4.15Å; L239-V243 WeakPolarHBondContact O-CB 3.49Å; L239-V243 VanDerWaalsContact O-CG2 3.26Å; L239-V243 WeakPolarHBondContact O-CG2 3.42Å; L239-V243 PolarHBondContact O-N 3.14Å; D240-V243 WeakPolarHBondContact O-CB 3.17Å; D240-V243 PolarHBondContact O-N 3.03Å; R241-V243 VanDerWaalsContact C-N 3.33Å; V243-Y246 PolarHBondContact O-N 3.32Å; V243-R247 VanDerWaalsContact CG1-NH2 3.26Å; V243-R247 WeakPolarHBondContact O-CB 3.41Å; V243-R247 WeakPolarHBondContact O-CD 3.33Å; V243-R247 WeakPolarHBondContact O-CG 3.43Å; V243-R247 PolarHBondContact O-N 3.3Å
244	D	61.8	Low	58.5	Low	41 Å²	41	34.6 Å²	34.6	22%	0.219	18%	0.183	C	C	.	.	H	α-helix	trans	-68.8	-33.8	177.5	-81.1	-23.2	0	0	0	113	D240 R241 R247 R248 S249 G250	D240-D244 PolarHBondContact O-N 3.27Å; R241-D244 PolarHBondContact O-N 2.67Å; D244-R247 IonicContact OD1-NH1 2.66Å; D244-R247 PolarHBondContact OD1-NH1 2.99Å; D244-R248 PolarHBondContact O-N 3.41Å; D244-S249 WeakPolarHBondContact CA-OG 3.43Å; D244-S249 PolarHBondContact O-N 3.47Å; D244-S249 PolarHBondContact O-OG 2.61Å; D244-S249 PolarHBondContact OD1-OG 2.89Å; D244-G250 PolarHBondContact O-N 3.38Å
245	A	62	Low	58.4	Low	4 Å²	4	38.6 Å²	38.6	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-57.2	-55.8	168.7	0	0	0	0	0	110.7	R241 Y242 R247 R248 I253 V258	R241-A245 WeakPolarHBondContact O-CB 2.92Å; R241-A245 PolarHBondContact O-N 3.1Å; Y242-A245 WeakPolarHBondContact O-CB 3.47Å; A245-R247 VanDerWaalsContact C-N 3.31Å; A245-R247 PolarHBondContact O-N 3.39Å; A245-R248 PolarHBondContact O-N 2.94Å; A245-I253 HydrophobicContact CB-CD1 3.18Å; A245-V258 WeakPolarHBondContact O-CG2 3.49Å
246	Y	60	Low	58.3	Low	72 Å²	72	38.7 Å²	38.7	28%	0.282	20%	0.202	S	C	.	.	H	α-helix	trans	-59.3	-40.9	-176.9	-172.3	-110.2	0	0	0	112.6	G192 M193 Y242 V243 R248 W261	G192-Y246 VanDerWaalsContact O-CZ 3.25Å; G192-Y246 PolarHBondContact O-OH 2.76Å; M193-Y246 HydrophobicContact CB-CD1 4.45Å; M193-Y246 HydrophobicContact CE-CD1 4.31Å; M193-Y246 HydrophobicContact CE-CG 4.28Å; M193-Y246 HydrophobicContact CG-CD1 3.74Å; M193-Y246 HydrophobicContact CG-CE1 3.97Å; M193-Y246 HydrophobicContact CG-CG 4.26Å; Y242-Y246 WeakPolarHBondContact O-CB 3.23Å; Y242-Y246 PolarHBondContact O-N 3.22Å; V243-Y246 PolarHBondContact O-N 3.32Å; Y246-R248 PolarHBondContact O-N 3.15Å; Y246-W261 HydrophobicContact CD2-CH2 4.34Å; Y246-W261 AromaticContact CD2-CZ3 3.79Å; Y246-W261 HydrophobicContact CD2-CZ3 3.79Å; Y246-W261 HydrophobicContact CE2-CZ3 4.47Å
247	R	54.6	Low	58.5	Low	51 Å²	51	39.7 Å²	39.7	19%	0.192	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.1	175.8	-73.5	167.3	-176.6	177.9	-1.7	114.8	N162 M165 V243 D244 A245 S249	N162-R247 VanDerWaalsContact CA-NH2 3.28Å; N162-R247 PolarHBondContact O-NH2 2.83Å; N162-R247 PolarHBondContact OD1-NE 3.21Å; N162-R247 VanDerWaalsContact OD1-NE 3.13Å; M165-R247 HydrophobicContact CE-CG 3.99Å; M165-R247 HydrophobicContact SD-CG 4.24Å; M165-R247 PolarHBondContact SD-NE 2.95Å; M165-R247 VanDerWaalsContact SD-NE 3.42Å; V243-R247 VanDerWaalsContact CG1-NH2 3.26Å; V243-R247 WeakPolarHBondContact O-CB 3.41Å; V243-R247 WeakPolarHBondContact O-CD 3.33Å; V243-R247 WeakPolarHBondContact O-CG 3.43Å; V243-R247 PolarHBondContact O-N 3.3Å; D244-R247 IonicContact OD1-NH1 2.66Å; D244-R247 PolarHBondContact OD1-NH1 2.99Å; A245-R247 VanDerWaalsContact C-N 3.31Å; A245-R247 PolarHBondContact O-N 3.39Å; R247-S249 VanDerWaalsContact CB-OG 3.24Å; R247-S249 WeakPolarHBondContact CB-OG 3.37Å; R247-S249 WeakPolarHBondContact CD-OG 3.21Å; R247-S249 PolarHBondContact O-N 3.31Å
248	R	59.3	Low	58.3	Low	192 Å²	192	41.1 Å²	41.1	73%	0.725	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	27	-162.8	-48.2	177.3	-178.9	-175.6	-2.2	112.8	D244 A245 Y246 V258	D244-R248 PolarHBondContact O-N 3.41Å; A245-R248 PolarHBondContact O-N 2.94Å; Y246-R248 PolarHBondContact O-N 3.15Å; R248-V258 HydrophobicContact CG-CB 4.48Å
249	S	55.2	Low	58.1	Low	71 Å²	71	44.4 Å²	44.4	50%	0.497	25%	0.252	S	S	.	.			trans	-94.1	-17.1	173.8	53	0	0	0	0	113	D244 R247	D244-S249 WeakPolarHBondContact CA-OG 3.43Å; D244-S249 PolarHBondContact O-N 3.47Å; D244-S249 PolarHBondContact O-OG 2.61Å; D244-S249 PolarHBondContact OD1-OG 2.89Å; R247-S249 VanDerWaalsContact CB-OG 3.24Å; R247-S249 WeakPolarHBondContact CB-OG 3.37Å; R247-S249 WeakPolarHBondContact CD-OG 3.21Å; R247-S249 PolarHBondContact O-N 3.31Å
250	G	53.8	Low	57.9	Low	24 Å²	24	50.2 Å²	50.2	25%	0.247	27%	0.274	C	S	.	.	S	Bend	trans	-73.8	161.3	170.1	0	0	0	0	0	113.3	D244	D244-G250 PolarHBondContact O-N 3.38Å
251	S	54.2	Low	57.9	Low	55 Å²	55	51.2 Å²	51.2	39%	0.385	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-59.7	150.3	164.5	52.7	0	0	0	0	111.1	I253	S251-I253 VanDerWaalsContact O-CG1 3.28Å; S251-I253 WeakPolarHBondContact O-CG1 3.23Å; S251-I253 PolarHBondContact O-N 2.81Å
252	D	56.2	Low	57	Low	124 Å²	124	55.1 Å²	55.1	66%	0.663	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-52.2	123.3	177.3	-177.9	23.4	0	0	0	112.2	G254 S257	D252-G254 VanDerWaalsContact C-N 3.28Å; D252-G254 PolarHBondContact OD1-N 2.84Å; D252-S257 WeakPolarHBondContact OD1-CB 3.18Å; D252-S257 PolarHBondContact OD1-OG 3.21Å
253	I	58.7	Low	55.7	Low	2 Å²	2	63.1 Å²	63.1	1%	0.01	33%	0.333	C	S	.	.			trans	-98.1	19.7	-176.3	-26.9	176.2	0	0	0	109.7	M235 A245 S251 E255 F256 S257 W355 P362	M235-I253 HydrophobicContact CE-CG2 3.88Å; M235-I253 HydrophobicContact SD-CG2 4.46Å; A245-I253 HydrophobicContact CB-CD1 3.18Å; S251-I253 VanDerWaalsContact O-CG1 3.28Å; S251-I253 WeakPolarHBondContact O-CG1 3.23Å; S251-I253 PolarHBondContact O-N 2.81Å; I253-E255 PolarHBondContact O-N 3.13Å; I253-F256 HydrophobicContact CB-CB 4.16Å; I253-F256 HydrophobicContact CG2-CB 3.89Å; I253-F256 PolarHBondContact O-N 2.81Å; I253-F256 VanDerWaalsContact O-N 3.08Å; I253-S257 PolarHBondContact N-OG 3.14Å; I253-W355 HydrophobicContact CB-CH2 4.34Å; I253-W355 HydrophobicContact CB-CZ2 4.48Å; I253-W355 HydrophobicContact CD1-CH2 3.6Å; I253-W355 HydrophobicContact CD1-CZ3 3.67Å; I253-W355 HydrophobicContact CG1-CH2 3.57Å; I253-W355 HydrophobicContact CG1-CZ2 4.07Å; I253-W355 HydrophobicContact CG1-CZ3 4.1Å; I253-W355 HydrophobicContact CG2-CD2 4.17Å; I253-W355 HydrophobicContact CG2-CE3 4.12Å; I253-W355 HydrophobicContact CG2-CH2 3.91Å; I253-W355 HydrophobicContact CG2-CZ2 3.93Å; I253-W355 HydrophobicContact CG2-CZ3 4Å; I253-P362 HydrophobicContact CG2-CB 4.33Å; I253-P362 HydrophobicContact CG2-CG 4.01Å; I253-P362 WeakPolarHBondContact O-CG 3.45Å
254	G	63.5	Low	54.7	Low	26 Å²	26	63.8 Å²	63.8	27%	0.268	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	52.4	-124.7	-174.6	0	0	0	0	0	110.5	D252 F256 S257 Y260	D252-G254 VanDerWaalsContact C-N 3.28Å; D252-G254 PolarHBondContact OD1-N 2.84Å; G254-F256 PolarHBondContact O-N 3.21Å; G254-S257 VanDerWaalsContact O-CB 3.27Å; G254-S257 WeakPolarHBondContact O-CB 3.47Å; G254-S257 PolarHBondContact O-N 2.68Å; G254-Y260 WeakPolarHBondContact O-CD2 3.34Å; G254-Y260 WeakPolarHBondContact O-CE2 3.5Å
255	E	52.7	Low	53.8	Low	85 Å²	85	62.9 Å²	62.9	40%	0.397	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-66.5	-9.7	-175.6	-50.7	-171.8	105.5	0	0	114.1	I253 Y260 R324 L326	I253-E255 PolarHBondContact O-N 3.13Å; E255-Y260 WeakPolarHBondContact O-CB 3.35Å; E255-R324 IonicContact OE1-CZ 2.6Å; E255-R324 IonicContact OE1-NH1 2.68Å; E255-R324 PolarHBondContact OE1-NH1 2.84Å; E255-R324 IonicContact OE1-NH2 3.09Å; E255-R324 PolarHBondContact OE1-NH2 3.29Å; E255-R324 IonicContact OE2-CZ 2.84Å; E255-R324 IonicContact OE2-NH1 3.07Å; E255-R324 IonicContact OE2-NH2 2.72Å; E255-R324 PolarHBondContact OE2-NH2 3.41Å; E255-L326 VanDerWaalsContact O-CD1 3.23Å; E255-L326 WeakPolarHBondContact O-CD1 2.83Å
256	F	56.1	Low	52.8	Low	4 Å²	4	63.3 Å²	63.3	2%	0.018	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-99.6	1.4	172.8	-60.3	-80.6	0	0	0	113.8	M235 I253 G254 W261 L326 V328 P362	M235-F256 HydrophobicContact CB-CD1 4.22Å; M235-F256 HydrophobicContact CB-CD2 4.41Å; M235-F256 HydrophobicContact CB-CE1 3.64Å; M235-F256 HydrophobicContact CB-CE2 3.88Å; M235-F256 HydrophobicContact CB-CZ 3.46Å; M235-F256 VanDerWaalsContact CB-CZ 3.46Å; M235-F256 HydrophobicContact CG-CD2 4.43Å; M235-F256 HydrophobicContact CG-CE1 4.5Å; M235-F256 HydrophobicContact CG-CE2 4.27Å; M235-F256 HydrophobicContact CG-CZ 4.3Å; M235-F256 HydrophobicContact SD-CB 3.8Å; M235-F256 HydrophobicContact SD-CD1 3.77Å; M235-F256 HydrophobicContact SD-CD2 3.35Å; M235-F256 WeakPolarHBondContact SD-CD2 3.45Å; M235-F256 HydrophobicContact SD-CE1 4.13Å; M235-F256 HydrophobicContact SD-CE2 3.77Å; M235-F256 HydrophobicContact SD-CG 3.34Å; M235-F256 WeakPolarHBondContact SD-CG 3.19Å; M235-F256 HydrophobicContact SD-CZ 4.14Å; I253-F256 HydrophobicContact CB-CB 4.16Å; I253-F256 HydrophobicContact CG2-CB 3.89Å; I253-F256 PolarHBondContact O-N 2.81Å; I253-F256 VanDerWaalsContact O-N 3.08Å; G254-F256 PolarHBondContact O-N 3.21Å; F256-W261 PolarHBondContact O-NE1 3.27Å; F256-L326 HydrophobicContact CD1-CD1 4.03Å; F256-L326 HydrophobicContact CE1-CB 4.13Å; F256-L326 HydrophobicContact CE1-CD1 4.09Å; F256-L326 HydrophobicContact CE1-CD2 3.75Å; F256-L326 HydrophobicContact CE1-CG 4.22Å; F256-L326 HydrophobicContact CZ-CD2 4Å; F256-V328 HydrophobicContact CD1-CG2 3.53Å; F256-V328 HydrophobicContact CE1-CG2 3.98Å; F256-P362 HydrophobicContact CD2-CB 4.16Å; F256-P362 HydrophobicContact CD2-CG 4.14Å
257	S	60.8	Low	52.1	Low	21 Å²	21	60.7 Å²	60.7	15%	0.147	33%	0.329	C	S	.	.	S	Bend	trans	-66.3	146.6	169.5	-76.8	0	0	0	0	110.9	D252 I253 G254 G259 Y260 W261	D252-S257 WeakPolarHBondContact OD1-CB 3.18Å; D252-S257 PolarHBondContact OD1-OG 3.21Å; I253-S257 PolarHBondContact N-OG 3.14Å; G254-S257 VanDerWaalsContact O-CB 3.27Å; G254-S257 WeakPolarHBondContact O-CB 3.47Å; G254-S257 PolarHBondContact O-N 2.68Å; S257-G259 PolarHBondContact O-N 3.45Å; S257-Y260 PolarHBondContact O-N 2.84Å; S257-W261 VanDerWaalsContact O-CD1 3.32Å
258	V	54.9	Low	51.7	Low	29 Å²	29	58.3 Å²	58.3	18%	0.176	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-54.8	-23.1	-178	176	0	0	0	0	113.7	A245 R248 Y260 W261	A245-V258 WeakPolarHBondContact O-CG2 3.49Å; R248-V258 HydrophobicContact CG-CB 4.48Å; V258-Y260 PolarHBondContact O-N 2.78Å; V258-W261 HydrophobicContact CG2-CD2 4.29Å; V258-W261 HydrophobicContact CG2-CE3 4.34Å; V258-W261 HydrophobicContact CG2-CH2 4.2Å; V258-W261 HydrophobicContact CG2-CZ2 4.18Å; V258-W261 HydrophobicContact CG2-CZ3 4.31Å; V258-W261 PolarHBondContact O-N 3.15Å
259	G	54	Low	50.7	Low	71 Å²	71	49.4 Å²	49.4	73%	0.732	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-64.9	-20	173	0	0	0	0	0	115	S257	S257-G259 PolarHBondContact O-N 3.45Å
260	Y	54.6	Low	50.1	Low	127 Å²	127	46.4 Å²	46.4	50%	0.498	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-100.5	-1.5	175.7	-63	-85.2	0	0	0	113.1	G254 E255 S257 V258 D262 V265	G254-Y260 WeakPolarHBondContact O-CD2 3.34Å; G254-Y260 WeakPolarHBondContact O-CE2 3.5Å; E255-Y260 WeakPolarHBondContact O-CB 3.35Å; S257-Y260 PolarHBondContact O-N 2.84Å; V258-Y260 PolarHBondContact O-N 2.78Å; Y260-D262 PolarHBondContact O-N 3.41Å; Y260-V265 WeakPolarHBondContact O-CG2 3.38Å
261	W	55.8	Low	49.4	Very low	53 Å²	53	45.6 Å²	45.6	20%	0.201	26%	0.255	C	S	.	.			trans	-80.3	68	177.1	-62.5	14.4	0	0	0	109.7	Y242 Y246 F256 S257 V258 V265 V267	Y242-W261 HydrophobicContact CD2-CH2 4.03Å; Y242-W261 AromaticContact CE2-CH2 3.32Å; Y242-W261 HydrophobicContact CE2-CH2 3.32Å; Y242-W261 HydrophobicContact CE2-CZ2 4.07Å; Y242-W261 HydrophobicContact CE2-CZ3 4.01Å; Y242-W261 AromaticContact CZ-CH2 3.95Å; Y246-W261 HydrophobicContact CD2-CH2 4.34Å; Y246-W261 AromaticContact CD2-CZ3 3.79Å; Y246-W261 HydrophobicContact CD2-CZ3 3.79Å; Y246-W261 HydrophobicContact CE2-CZ3 4.47Å; F256-W261 PolarHBondContact O-NE1 3.27Å; S257-W261 VanDerWaalsContact O-CD1 3.32Å; V258-W261 HydrophobicContact CG2-CD2 4.29Å; V258-W261 HydrophobicContact CG2-CE3 4.34Å; V258-W261 HydrophobicContact CG2-CH2 4.2Å; V258-W261 HydrophobicContact CG2-CZ2 4.18Å; V258-W261 HydrophobicContact CG2-CZ3 4.31Å; V258-W261 PolarHBondContact O-N 3.15Å; W261-V265 HydrophobicContact CB-CG1 4.43Å; W261-V265 HydrophobicContact CG-CG1 4.21Å; W261-V267 HydrophobicContact CE3-CG2 4.48Å; W261-V267 HydrophobicContact CZ3-CG2 4.45Å
262	D	45	Very low	48.7	Very low	101 Å²	101	43.9 Å²	43.9	54%	0.54	24%	0.242	S	C	.	.	S	Bend	trans	-84	-167.9	176.2	79.2	-6.3	0	0	0	111.8	Y260 S264 V265	Y260-D262 PolarHBondContact O-N 3.41Å; D262-S264 PolarHBondContact O-N 3.11Å; D262-S264 WeakPolarHBondContact OD1-CA 3.28Å; D262-S264 WeakPolarHBondContact OD1-CB 3.45Å; D262-S264 PolarHBondContact OD1-N 3.21Å; D262-S264 PolarHBondContact OD1-OG 3.28Å; D262-S264 PolarHBondContact OD2-OG 3.15Å; D262-V265 PolarHBondContact O-N 3.18Å
263	K	37.3	Very low	47.7	Very low	169 Å²	169	39.3 Å²	39.3	74%	0.735	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	11.1	177.4	-63	-173.1	177.5	-174.1	0	114.6	N197	N197-K263 VanDerWaalsContact ND2-C 3.34Å; N197-K263 PolarHBondContact ND2-O 3Å
264	S	38.3	Very low	46.4	Very low	17 Å²	17	45.2 Å²	45.2	12%	0.119	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-24.1	176.6	-33.6	0	0	0	0	113	D262 R324	D262-S264 PolarHBondContact O-N 3.11Å; D262-S264 WeakPolarHBondContact OD1-CA 3.28Å; D262-S264 WeakPolarHBondContact OD1-CB 3.45Å; D262-S264 PolarHBondContact OD1-N 3.21Å; D262-S264 PolarHBondContact OD1-OG 3.28Å; D262-S264 PolarHBondContact OD2-OG 3.15Å; S264-R324 CarbonylContact C-O 3.37Å; S264-R324 WeakPolarHBondContact CB-O 3.02Å
265	V	42.3	Very low	44.8	Very low	22 Å²	22	51.8 Å²	51.8	13%	0.133	28%	0.275	C	S	.	.			trans	-81	142.2	-169	170.4	0	0	0	0	113.1	Y260 W261 D262 V267 L326	Y260-V265 WeakPolarHBondContact O-CG2 3.38Å; W261-V265 HydrophobicContact CB-CG1 4.43Å; W261-V265 HydrophobicContact CG-CG1 4.21Å; D262-V265 PolarHBondContact O-N 3.18Å; V265-V267 HydrophobicContact CG1-CG2 4.19Å; V265-L326 HydrophobicContact CG1-CB 4.19Å; V265-L326 HydrophobicContact CG2-CB 4.22Å; V265-L326 HydrophobicContact CG2-CD1 3.96Å; V265-L326 HydrophobicContact CG2-CG 4.26Å
266	A	41.8	Very low	43.6	Very low	14 Å²	14	48.3 Å²	48.3	12%	0.116	26%	0.262	C	S	.	.			trans	-135.9	77.2	-173.4	0	0	0	0	0	111.6	L287 V325 L326	A266-L287 HydrophobicContact CB-CD1 3.98Å; A266-L287 HydrophobicContact CB-CD2 3.72Å; A266-V325 HydrophobicContact CB-CG1 3.89Å; A266-L326 CarbonylContact C-O 3.5Å; A266-L326 VanDerWaalsContact C-O 3.24Å; A266-L326 PolarHBondContact N-O 2.87Å
267	V	44.9	Very low	42.4	Very low	17 Å²	17	49.3 Å²	49.3	10%	0.103	27%	0.27	C	S	.	.			trans	-63.7	133.6	175.9	178	0	0	0	0	110.5	L194 Y242 W261 V265 V328 V330	L194-V267 HydrophobicContact CD2-CB 3.56Å; L194-V267 HydrophobicContact CD2-CG1 3.58Å; Y242-V267 HydrophobicContact CE2-CG1 3.71Å; Y242-V267 HydrophobicContact CE2-CG2 4.4Å; W261-V267 HydrophobicContact CE3-CG2 4.48Å; W261-V267 HydrophobicContact CZ3-CG2 4.45Å; V265-V267 HydrophobicContact CG1-CG2 4.19Å; V267-V328 HydrophobicContact CB-CB 4.43Å; V267-V328 HydrophobicContact CG1-CB 4.08Å; V267-V328 HydrophobicContact CG1-CG1 4.37Å; V267-V328 HydrophobicContact CG2-CB 4.14Å; V267-V328 HydrophobicContact CG2-CG2 4.38Å; V267-V330 HydrophobicContact CG1-CG2 4.18Å
268	I	45.4	Very low	41.2	Very low	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	112.9	177	-48.9	-173.8	0	0	0	108.9	V270 P281 F284 L287 F327 V328 L329	I268-V270 HydrophobicContact CB-CG2 4.33Å; I268-V270 HydrophobicContact CG2-CG2 3.95Å; I268-V270 WeakPolarHBondContact O-CG2 3.12Å; I268-V270 PolarHBondContact O-N 3.31Å; I268-P281 HydrophobicContact CG2-CG 3.93Å; I268-F284 HydrophobicContact CD1-CD2 4.5Å; I268-L287 HydrophobicContact CD1-CD1 3.44Å; I268-L287 VanDerWaalsContact CD1-CD1 3.44Å; I268-L287 HydrophobicContact CG1-CD1 3.84Å; I268-F327 HydrophobicContact CD1-CD1 3.46Å; I268-F327 VanDerWaalsContact CD1-CD1 3.46Å; I268-F327 HydrophobicContact CD1-CE1 3.36Å; I268-F327 HydrophobicContact CD1-CZ 4.37Å; I268-F327 HydrophobicContact CG1-CD1 4.23Å; I268-F327 HydrophobicContact CG1-CE1 4.49Å; I268-V328 CarbonylContact C-O 3.6Å; I268-V328 PolarHBondContact N-O 2.88Å; I268-L329 WeakPolarHBondContact O-CA 3.32Å
269	P	40.1	Very low	40.2	Very low	4 Å²	4	53.4 Å²	53.4	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	132.2	168	30.5	-33.7	0	0	0	108.8	V184 F185 L188 P281 V330	V184-P269 HydrophobicContact CG1-CB 3.93Å; V184-P269 HydrophobicContact CG1-CG 4.37Å; F185-P269 HydrophobicContact CB-CG 3.97Å; F185-P269 HydrophobicContact CD2-CG 3.99Å; L188-P269 HydrophobicContact CD1-CB 3.6Å; L188-P269 HydrophobicContact CD1-CG 3.84Å; P269-P281 WeakPolarHBondContact O-CG 3.43Å; P269-V330 HydrophobicContact CB-CB 4.47Å
270	V	41.6	Very low	39.2	Very low	8 Å²	8	55.4 Å²	55.4	5%	0.048	28%	0.277	C	S	.	.			trans	-133	124.2	-177.1	-176.4	0	0	0	0	109	I268 W278 L279 P281 L329 V330	I268-V270 HydrophobicContact CB-CG2 4.33Å; I268-V270 HydrophobicContact CG2-CG2 3.95Å; I268-V270 WeakPolarHBondContact O-CG2 3.12Å; I268-V270 PolarHBondContact O-N 3.31Å; V270-W278 HydrophobicContact CB-CE3 4.07Å; V270-W278 HydrophobicContact CB-CZ3 4.18Å; V270-W278 HydrophobicContact CG1-CB 4.38Å; V270-W278 HydrophobicContact CG1-CD2 4.44Å; V270-W278 HydrophobicContact CG1-CE3 3.51Å; V270-W278 HydrophobicContact CG1-CZ3 4.12Å; V270-L279 VanDerWaalsContact CG1-O 3.29Å; V270-L279 WeakPolarHBondContact CG1-O 3.15Å; V270-P281 HydrophobicContact CG2-CG 4.13Å; V270-L329 HydrophobicContact CB-CB 4.32Å; V270-L329 HydrophobicContact CG2-CB 4.26Å; V270-L329 HydrophobicContact CG2-CD2 3.7Å; V270-L329 HydrophobicContact CG2-CG 4.5Å; V270-V330 PolarHBondContact N-O 2.8Å
271	R	38.7	Very low	38.1	Very low	8 Å²	8	49.7 Å²	49.7	3%	0.03	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.6	-179.7	-170.7	164.4	-154.1	162.5	7.4	112.4	S175 P176 P177 C179 D181 L279 M333	S175-R271 PolarHBondContact O-NH2 2.97Å; P176-R271 VanDerWaalsContact O-CZ 3.24Å; P176-R271 PolarHBondContact O-NH1 3.18Å; P176-R271 PolarHBondContact O-NH2 2.54Å; P176-R271 VanDerWaalsContact O-NH2 3.07Å; P177-R271 VanDerWaalsContact CA-CZ 3.47Å; P177-R271 PolarHBondContact O-NH1 3.32Å; P177-R271 VanDerWaalsContact O-NH1 3.17Å; C179-R271 PolarHBondContact O-NH1 3Å; D181-R271 WeakPolarHBondContact OD1-CB 3.12Å; D181-R271 PolarHBondContact OD1-N 2.99Å; R271-L279 PolarHBondContact O-N 3.34Å; R271-M333 PolarHBondContact NH2-SD 2.95Å
272	V	40.1	Very low	36.8	Very low	19 Å²	19	54.2 Å²	54.2	12%	0.115	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	120	159.6	-173.4	0	0	0	0	107.6	W278	V272-W278 HydrophobicContact CG2-CE3 4.28Å; V272-W278 HydrophobicContact CG2-CZ3 4.36Å
273	S	35.7	Very low	36.1	Very low	28 Å²	28	50.2 Å²	50.2	20%	0.196	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-71	166.4	173.1	60.2	0	0	0	0	111.8	Q275 G276 S277	S273-Q275 PolarHBondContact O-N 2.8Å; S273-G276 PolarHBondContact O-N 2.77Å; S273-S277 WeakPolarHBondContact CB-O 3.49Å; S273-S277 PolarHBondContact N-O 3.31Å; S273-S277 WeakPolarHBondContact OG-CB 3.29Å; S273-S277 PolarHBondContact OG-N 3.36Å; S273-S277 PolarHBondContact OG-O 3.12Å
274	D	31	Very low	35.7	Very low	125 Å²	125	45.3 Å²	45.3	67%	0.668	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.7	178.4	-57	-41.9	0	0	0	113.8	P177 G276	P177-D274 VanDerWaalsContact CB-OD2 3.22Å; P177-D274 WeakPolarHBondContact CB-OD2 3.47Å; P177-D274 WeakPolarHBondContact CG-OD1 3.35Å; P177-D274 WeakPolarHBondContact CG-OD2 3.39Å; D274-G276 VanDerWaalsContact C-N 3.33Å
275	Q	29.4	Very low	35.2	Very low	164 Å²	164	45.5 Å²	45.5	77%	0.766	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	5.4	177.3	-63.2	-178.8	-13	0	0	113.5	S273 S277	S273-Q275 PolarHBondContact O-N 2.8Å; Q275-S277 PolarHBondContact O-N 3.26Å
276	G	28.7	Very low	34.6	Very low	13 Å²	13	49.7 Å²	49.7	13%	0.134	25%	0.252	C	S	.	.	S	Bend	trans	75.5	1.1	-175.2	0	0	0	0	0	114.8	S273 D274 L348	S273-G276 PolarHBondContact O-N 2.77Å; D274-G276 VanDerWaalsContact C-N 3.33Å; G276-L348 VanDerWaalsContact C-CD1 3.45Å; G276-L348 VanDerWaalsContact O-CD1 3.27Å; G276-L348 WeakPolarHBondContact O-CD1 3.49Å
277	S	30.7	Very low	34.2	Very low	25 Å²	25	50.7 Å²	50.7	18%	0.175	26%	0.256	C	S	.	.			trans	-79.2	133.8	176.8	-73.6	0	0	0	0	111.1	S273 Q275 R382	S273-S277 WeakPolarHBondContact CB-O 3.49Å; S273-S277 PolarHBondContact N-O 3.31Å; S273-S277 WeakPolarHBondContact OG-CB 3.29Å; S273-S277 PolarHBondContact OG-N 3.36Å; S273-S277 PolarHBondContact OG-O 3.12Å; Q275-S277 PolarHBondContact O-N 3.26Å; S277-R382 PolarHBondContact OG-NH2 3.11Å
278	W	35.2	Very low	33.8	Very low	52 Å²	52	50.3 Å²	50.3	20%	0.197	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	125.7	170.2	-62.1	99.5	0	0	0	111.2	A236 V270 V272 I280 L329 C343 V352	A236-W278 HydrophobicContact CB-CH2 3.76Å; A236-W278 HydrophobicContact CB-CZ2 4.27Å; V270-W278 HydrophobicContact CB-CE3 4.07Å; V270-W278 HydrophobicContact CB-CZ3 4.18Å; V270-W278 HydrophobicContact CG1-CB 4.38Å; V270-W278 HydrophobicContact CG1-CD2 4.44Å; V270-W278 HydrophobicContact CG1-CE3 3.51Å; V270-W278 HydrophobicContact CG1-CZ3 4.12Å; V272-W278 HydrophobicContact CG2-CE3 4.28Å; V272-W278 HydrophobicContact CG2-CZ3 4.36Å; W278-I280 PolarHBondContact O-N 2.92Å; W278-L329 HydrophobicContact CE3-CD1 4.38Å; W278-L329 HydrophobicContact CH2-CB 3.97Å; W278-L329 HydrophobicContact CH2-CD1 3.62Å; W278-L329 HydrophobicContact CH2-CG 4.47Å; W278-L329 HydrophobicContact CZ2-CD1 4.01Å; W278-L329 HydrophobicContact CZ3-CB 3.86Å; W278-L329 HydrophobicContact CZ3-CD1 3.85Å; W278-C343 WeakPolarHBondContact CH2-SG 3.11Å; W278-C343 WeakPolarHBondContact CZ2-SG 2.99Å; W278-V352 HydrophobicContact CZ2-CB 4.3Å; W278-V352 HydrophobicContact CZ2-CG2 4.26Å
279	L	32.6	Very low	33.2	Very low	83 Å²	83	50.7 Å²	50.7	44%	0.435	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	95.3	164.3	-75.9	166.9	0	0	0	108.6	V270 R271 P281	V270-L279 VanDerWaalsContact CG1-O 3.29Å; V270-L279 WeakPolarHBondContact CG1-O 3.15Å; R271-L279 PolarHBondContact O-N 3.34Å; L279-P281 WeakPolarHBondContact O-CD 3.27Å
280	I	34.8	Very low	32.8	Very low	114 Å²	114	52.3 Å²	52.3	59%	0.585	26%	0.264	S	S	*	.			trans	-65.5	113.8	175.5	-59.7	179.6	0	0	0	107.9	W278 F284	W278-I280 PolarHBondContact O-N 2.92Å; I280-F284 HydrophobicContact CG2-CB 4.13Å; I280-F284 HydrophobicContact CG2-CD2 3.32Å; I280-F284 HydrophobicContact CG2-CE2 3.77Å; I280-F284 HydrophobicContact CG2-CG 3.85Å
281	P	30.9	Very low	32.4	Very low	7 Å²	7	53.2 Å²	53.2	5%	0.045	27%	0.268	C	S	.	.			trans	-71.9	160.9	-165.5	-23.4	36.3	0	0	0	114.2	D181 I268 P269 V270 L279 T283 F284	D181-P281 HydrophobicContact CB-CB 3.74Å; D181-P281 HydrophobicContact CB-CG 3.84Å; I268-P281 HydrophobicContact CG2-CG 3.93Å; P269-P281 WeakPolarHBondContact O-CG 3.43Å; V270-P281 HydrophobicContact CG2-CG 4.13Å; L279-P281 WeakPolarHBondContact O-CD 3.27Å; P281-T283 PolarHBondContact O-N 3.25Å; P281-F284 WeakPolarHBondContact O-CB 3.31Å; P281-F284 PolarHBondContact O-N 2.76Å
282	Y	28.3	Very low	32.3	Very low	148 Å²	148	53.8 Å²	53.8	58%	0.58	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-28.5	169.4	-155.4	-105.3	0	0	0	113.2	F284 A285	Y282-F284 PolarHBondContact O-N 3.21Å; Y282-F284 VanDerWaalsContact O-N 3.11Å; Y282-A285 WeakPolarHBondContact O-CB 3.48Å; Y282-A285 PolarHBondContact O-N 3.47Å; Y282-A285 VanDerWaalsContact O-N 3.08Å
283	T	30.8	Very low	32	Very low	17 Å²	17	55.7 Å²	55.7	10%	0.104	28%	0.28	C	S	.	.	H	α-helix	trans	-52.2	-27	172.3	-39.7	0	0	0	0	114.3	F185 P281 A285 H286 L287	F185-T283 HydrophobicContact CE1-CG2 4.37Å; F185-T283 HydrophobicContact CE2-CG2 3.93Å; F185-T283 HydrophobicContact CZ-CG2 3.85Å; P281-T283 PolarHBondContact O-N 3.25Å; T283-A285 VanDerWaalsContact C-N 3.27Å; T283-A285 PolarHBondContact O-N 3.33Å; T283-H286 PolarHBondContact O-N 3.17Å; T283-H286 VanDerWaalsContact O-N 3.08Å; T283-L287 HydrophobicContact CG2-CD1 4.35Å; T283-L287 PolarHBondContact O-N 3.13Å; T283-L287 VanDerWaalsContact O-N 3.11Å
284	F	28.5	Very low	32	Very low	65 Å²	65	56.3 Å²	56.3	29%	0.285	29%	0.287	S	S	.	.	H	α-helix	trans	-59.6	-38.5	176.8	-138.2	-90.9	0	0	0	111.7	I268 I280 P281 Y282 H286 L287 T288 F327 L367	I268-F284 HydrophobicContact CD1-CD2 4.5Å; I280-F284 HydrophobicContact CG2-CB 4.13Å; I280-F284 HydrophobicContact CG2-CD2 3.32Å; I280-F284 HydrophobicContact CG2-CE2 3.77Å; I280-F284 HydrophobicContact CG2-CG 3.85Å; P281-F284 WeakPolarHBondContact O-CB 3.31Å; P281-F284 PolarHBondContact O-N 2.76Å; Y282-F284 PolarHBondContact O-N 3.21Å; Y282-F284 VanDerWaalsContact O-N 3.11Å; F284-H286 VanDerWaalsContact C-N 3.32Å; F284-H286 PolarHBondContact O-N 3.27Å; F284-L287 PolarHBondContact O-N 2.92Å; F284-T288 PolarHBondContact O-N 2.86Å; F284-T288 VanDerWaalsContact O-N 3.15Å; F284-T288 PolarHBondContact O-OG1 2.78Å; F284-F327 AromaticContact CD2-CE1 3.87Å; F284-F327 HydrophobicContact CD2-CE1 3.87Å; F284-F327 HydrophobicContact CE2-CD1 4.11Å; F284-F327 AromaticContact CE2-CE1 3.42Å; F284-F327 HydrophobicContact CE2-CE1 3.42Å; F284-F327 VanDerWaalsContact CE2-CE1 3.42Å; F284-F327 HydrophobicContact CE2-CZ 4.21Å; F284-F327 AromaticContact CZ-CE1 3.96Å; F284-F327 HydrophobicContact CZ-CE1 3.96Å; F284-F327 HydrophobicContact CZ-CZ 4.34Å; F284-L367 HydrophobicContact CE2-CD1 4.36Å; F284-L367 HydrophobicContact CZ-CD1 3.95Å; F284-L367 HydrophobicContact CZ-CD2 4.17Å
285	A	28.2	Very low	32.3	Very low	21 Å²	21	52.7 Å²	52.7	17%	0.174	27%	0.266	C	S	.	.	H	α-helix	trans	-68.5	-29.1	176.3	0	0	0	0	0	112.9	Y282 T283 T288 S289 T413	Y282-A285 WeakPolarHBondContact O-CB 3.48Å; Y282-A285 PolarHBondContact O-N 3.47Å; Y282-A285 VanDerWaalsContact O-N 3.08Å; T283-A285 VanDerWaalsContact C-N 3.27Å; T283-A285 PolarHBondContact O-N 3.33Å; A285-T288 VanDerWaalsContact C-OG1 3.25Å; A285-T288 VanDerWaalsContact CA-OG1 3.32Å; A285-T288 WeakPolarHBondContact CA-OG1 3.47Å; A285-T288 PolarHBondContact O-OG1 3.46Å; A285-S289 PolarHBondContact O-OG 3.14Å; A285-T413 HydrophobicContact CB-CG2 3.75Å
286	H	29.7	Very low	32.8	Very low	111 Å²	111	47.8 Å²	47.8	51%	0.514	25%	0.248	S	C	.	.	H	α-helix	trans	-79.3	-26.2	177	-81.4	-82.9	0	0	0	113.5	T283 F284 S289	T283-H286 PolarHBondContact O-N 3.17Å; T283-H286 VanDerWaalsContact O-N 3.08Å; F284-H286 VanDerWaalsContact C-N 3.32Å; F284-H286 PolarHBondContact O-N 3.27Å; H286-S289 VanDerWaalsContact C-OG 3.31Å; H286-S289 WeakPolarHBondContact O-CB 3.14Å; H286-S289 PolarHBondContact O-OG 2.88Å
287	L	33.4	Very low	33.3	Very low	35 Å²	35	49.3 Å²	49.3	18%	0.183	26%	0.255	C	S	.	.	H	α-helix	trans	-85.8	-26.1	175.8	-77.9	163.2	0	0	0	113.2	A266 I268 T283 F284 S289	A266-L287 HydrophobicContact CB-CD1 3.98Å; A266-L287 HydrophobicContact CB-CD2 3.72Å; I268-L287 HydrophobicContact CD1-CD1 3.44Å; I268-L287 VanDerWaalsContact CD1-CD1 3.44Å; I268-L287 HydrophobicContact CG1-CD1 3.84Å; T283-L287 HydrophobicContact CG2-CD1 4.35Å; T283-L287 PolarHBondContact O-N 3.13Å; T283-L287 VanDerWaalsContact O-N 3.11Å; F284-L287 PolarHBondContact O-N 2.92Å; L287-S289 PolarHBondContact O-N 3.13Å; L287-S289 VanDerWaalsContact O-N 3.16Å
288	T	36.3	Very low	33.8	Very low	8 Å²	8	50 Å²	50	5%	0.049	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-24.5	167.5	33.2	0	0	0	0	113.2	F284 A285 I291 F292 I405 A409	F284-T288 PolarHBondContact O-N 2.86Å; F284-T288 VanDerWaalsContact O-N 3.15Å; F284-T288 PolarHBondContact O-OG1 2.78Å; A285-T288 VanDerWaalsContact C-OG1 3.25Å; A285-T288 VanDerWaalsContact CA-OG1 3.32Å; A285-T288 WeakPolarHBondContact CA-OG1 3.47Å; A285-T288 PolarHBondContact O-OG1 3.46Å; T288-I291 CarbonylContact O-C 3.48Å; T288-I291 WeakPolarHBondContact O-CB 3.41Å; T288-I291 PolarHBondContact O-N 3.37Å; T288-F292 HydrophobicContact CG2-CE2 3.96Å; T288-F292 WeakPolarHBondContact O-CD2 3.39Å; T288-F292 WeakPolarHBondContact O-CG 3.26Å; T288-F292 PolarHBondContact O-N 3.17Å; T288-I405 HydrophobicContact CG2-CG2 4.03Å; T288-A409 HydrophobicContact CG2-CB 4.05Å
289	S	32	Very low	34.1	Very low	9 Å²	9	49.2 Å²	49.2	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-54.9	-61.4	179.9	-35.2	0	0	0	0	113	E203 A285 H286 L287 I291 F292 N293	E203-S289 VanDerWaalsContact CD-CB 3.49Å; E203-S289 WeakPolarHBondContact OE1-CA 3.23Å; E203-S289 WeakPolarHBondContact OE1-CB 3.19Å; A285-S289 PolarHBondContact O-OG 3.14Å; H286-S289 VanDerWaalsContact C-OG 3.31Å; H286-S289 WeakPolarHBondContact O-CB 3.14Å; H286-S289 PolarHBondContact O-OG 2.88Å; L287-S289 PolarHBondContact O-N 3.13Å; L287-S289 VanDerWaalsContact O-N 3.16Å; S289-I291 PolarHBondContact O-N 3.07Å; S289-F292 WeakPolarHBondContact O-CB 3.38Å; S289-F292 PolarHBondContact O-N 3.26Å; S289-N293 PolarHBondContact O-N 3.12Å; S289-N293 VanDerWaalsContact O-N 3.11Å
290	M	32	Very low	34.9	Very low	39 Å²	39	45.4 Å²	45.4	19%	0.192	24%	0.238	C	C	.	.	H	α-helix	trans	-55	-29	176.2	-75.9	179.5	155.4	0	0	113.3	D199	D199-M290 HydrophobicContact CB-CE 3.83Å
291	I	34.4	Very low	35.5	Very low	26 Å²	26	40 Å²	40	13%	0.133	21%	0.21	C	C	.	.	H	α-helix	trans	-83.4	-33.2	-177.7	-64.6	173.9	0	0	0	111.1	Y230 T288 S289 L402	Y230-I291 HydrophobicContact CD2-CG2 4.36Å; Y230-I291 HydrophobicContact CE2-CG2 4.43Å; T288-I291 CarbonylContact O-C 3.48Å; T288-I291 WeakPolarHBondContact O-CB 3.41Å; T288-I291 PolarHBondContact O-N 3.37Å; S289-I291 PolarHBondContact O-N 3.07Å; I291-L402 HydrophobicContact CG2-CD1 3.58Å; I291-L402 HydrophobicContact CG2-CD2 3.98Å; I291-L402 HydrophobicContact CG2-CG 4Å
292	F	36.2	Very low	36.6	Very low	21 Å²	21	41.5 Å²	41.5	9%	0.092	22%	0.219	C	C	.	.	H	α-helix	trans	-70.6	-44.9	175.5	-83.2	-148.9	0	0	0	112	T288 S289 A294 Q295 T296 T406 A409	T288-F292 HydrophobicContact CG2-CE2 3.96Å; T288-F292 WeakPolarHBondContact O-CD2 3.39Å; T288-F292 WeakPolarHBondContact O-CG 3.26Å; T288-F292 PolarHBondContact O-N 3.17Å; S289-F292 WeakPolarHBondContact O-CB 3.38Å; S289-F292 PolarHBondContact O-N 3.26Å; F292-A294 PolarHBondContact O-N 3.39Å; F292-Q295 PolarHBondContact O-N 3.3Å; F292-T296 PolarHBondContact O-N 2.87Å; F292-T296 PolarHBondContact O-OG1 3.33Å; F292-T406 HydrophobicContact CD1-CG2 4.38Å; F292-T406 WeakPolarHBondContact CD2-OG1 3.35Å; F292-T406 HydrophobicContact CE1-CG2 3.74Å; F292-T406 HydrophobicContact CE2-CG2 4.1Å; F292-T406 WeakPolarHBondContact CE2-OG1 3.37Å; F292-T406 VanDerWaalsContact CZ-CA 3.46Å; F292-T406 HydrophobicContact CZ-CG2 3.61Å; F292-A409 HydrophobicContact CZ-CB 4.14Å
293	N	33.1	Very low	37.8	Very low	59 Å²	59	39.8 Å²	39.8	32%	0.316	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.4	-172.9	-105.7	1.2	0	0	0	114	E203 S289 A314	E203-N293 PolarHBondContact OE1-ND2 2.8Å; S289-N293 PolarHBondContact O-N 3.12Å; S289-N293 VanDerWaalsContact O-N 3.11Å; N293-A314 PolarHBondContact ND2-O 2.88Å; N293-A314 PolarHBondContact OD1-O 3.44Å
294	A	35.2	Very low	39.6	Very low	41 Å²	41	42.7 Å²	42.7	34%	0.339	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-6.5	173.1	0	0	0	0	0	115	Y230 F292	Y230-A294 WeakPolarHBondContact OH-CB 3.24Å; F292-A294 PolarHBondContact O-N 3.39Å
295	Q	36.9	Very low	41.3	Very low	49 Å²	49	49.3 Å²	49.3	23%	0.229	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.3	-2	-166.8	-56	-155.9	18.6	0	0	116.6	C224 H228 F292 L402	C224-Q295 PolarHBondContact SG-O 3Å; H228-Q295 PolarHBondContact O-NE2 2.82Å; F292-Q295 PolarHBondContact O-N 3.3Å; Q295-L402 HydrophobicContact CB-CD2 4.09Å; Q295-L402 HydrophobicContact CG-CD2 4.15Å
296	T	39.9	Very low	42.1	Very low	61 Å²	61	52 Å²	52	37%	0.374	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-64.2	135.4	-176.8	14.2	0	0	0	0	113.7	F292 P312	F292-T296 PolarHBondContact O-N 2.87Å; F292-T296 PolarHBondContact O-OG1 3.33Å; T296-P312 HydrophobicContact CG2-CG 4.17Å
297	P	40.2	Very low	43.2	Very low	45 Å²	45	53.7 Å²	53.7	29%	0.292	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-72.6	158	167.5	30.8	-33.6	0	0	0	111.5	Y221 G222	Y221-P297 HydrophobicContact CD1-CG 4.17Å; G222-P297 WeakPolarHBondContact O-CB 3.4Å
298	V	41.2	Very low	43.5	Very low	40 Å²	40	55.3 Å²	55.3	24%	0.242	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-73.4	133	168.5	-174.9	0	0	0	0	108.7	Y221 G222 D309 L311	Y221-V298 CarbonylContact C-O 3.53Å; Y221-V298 WeakPolarHBondContact CA-O 3.44Å; G222-V298 PolarHBondContact N-O 2.93Å; V298-D309 HydrophobicContact CG1-CB 4.31Å; V298-L311 HydrophobicContact CG1-CG 4.47Å; V298-L311 HydrophobicContact CG2-CD2 3.85Å
299	L	41.8	Very low	43.8	Very low	35 Å²	35	58.6 Å²	58.6	18%	0.183	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.5	169.5	-178.4	70.4	0	0	0	109	F219 Y221 D309 A310	F219-L299 HydrophobicContact CD1-CD1 4.22Å; Y221-L299 HydrophobicContact CD1-CD1 4.01Å; Y221-L299 HydrophobicContact CE1-CD1 3.61Å; L299-D309 CarbonylContact O-C 3.55Å; L299-A310 HydrophobicContact CB-CB 3.99Å; L299-A310 HydrophobicContact CD2-CB 4.37Å; L299-A310 HydrophobicContact CG-CB 4.43Å; L299-A310 PolarHBondContact N-O 2.65Å; L299-A310 CarbonylContact O-C 3.43Å; L299-A310 WeakPolarHBondContact O-CA 3.43Å; L299-A310 WeakPolarHBondContact O-CB 3.37Å; L299-A310 PolarHBondContact O-N 3.04Å
300	S	48.1	Very low	44	Very low	2 Å²	2	58.6 Å²	58.6	1%	0.014	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.4	-175.2	-61.3	0	0	0	0	110.3	F219 S220 R307 L308 D309	F219-S300 CarbonylContact C-O 3.57Å; F219-S300 WeakPolarHBondContact CA-O 3.48Å; S220-S300 PolarHBondContact N-O 3.19Å; S220-S300 PolarHBondContact O-N 3.2Å; S220-S300 WeakPolarHBondContact OG-CB 3.44Å; S220-S300 PolarHBondContact OG-O 3.43Å; S220-S300 VanDerWaalsContact OG-O 3.13Å; S300-R307 PolarHBondContact OG-NH2 2.91Å; S300-L308 WeakPolarHBondContact CA-O 3.43Å; S300-D309 VanDerWaalsContact CB-OD1 3.25Å; S300-D309 WeakPolarHBondContact CB-OD1 3.48Å; S300-D309 PolarHBondContact OG-OD1 3.15Å
301	V	48.1	Very low	44.1	Very low	2 Å²	2	61.8 Å²	61.8	1%	0.012	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.9	179.1	-158	0	0	0	0	109.4	F214 F219 R307 L308	F214-V301 HydrophobicContact CB-CG1 4.07Å; F214-V301 HydrophobicContact CD1-CB 4.03Å; F214-V301 HydrophobicContact CD1-CG1 3.99Å; F214-V301 VanDerWaalsContact CE1-O 3.31Å; F214-V301 WeakPolarHBondContact CE1-O 3.49Å; F214-V301 HydrophobicContact CG-CG1 4.42Å; F219-V301 HydrophobicContact CD1-CB 4.37Å; F219-V301 HydrophobicContact CD1-CG1 4.06Å; F219-V301 HydrophobicContact CD1-CG2 3.67Å; F219-V301 HydrophobicContact CD2-CG1 4.27Å; F219-V301 HydrophobicContact CE1-CB 4.28Å; F219-V301 HydrophobicContact CE1-CG1 3.8Å; F219-V301 HydrophobicContact CE1-CG2 3.49Å; F219-V301 VanDerWaalsContact CE1-CG2 3.49Å; F219-V301 HydrophobicContact CE2-CG1 4.01Å; F219-V301 HydrophobicContact CG-CG1 4.29Å; F219-V301 HydrophobicContact CZ-CG1 3.77Å; F219-V301 HydrophobicContact CZ-CG2 4.26Å; V301-R307 CarbonylContact O-C 3.53Å; V301-R307 WeakPolarHBondContact O-CA 3.45Å; V301-L308 HydrophobicContact CB-CB 4.43Å; V301-L308 PolarHBondContact N-O 3.29Å; V301-L308 PolarHBondContact O-N 2.81Å
302	T	54.6	Low	43.9	Very low	37 Å²	37	62.8 Å²	62.8	23%	0.227	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.9	-174.6	-50.5	0	0	0	0	111	G217 T218 T306	G217-T302 CarbonylContact C-O 3.4Å; G217-T302 WeakPolarHBondContact CA-O 3.34Å; T218-T302 PolarHBondContact N-O 2.85Å; T218-T302 PolarHBondContact O-N 3.38Å; T218-T302 PolarHBondContact OG1-O 3.05Å; T302-T306 CarbonylContact C-O 3.59Å; T302-T306 WeakPolarHBondContact CA-O 3.38Å
303	R	53.8	Low	43.4	Very low	113 Å²	113	68.5 Å²	68.5	43%	0.426	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	117.4	173.6	-164.8	-167.9	-173.4	179.3	6	109.9	P212 E213 F214 V215 Q305 T306	P212-R303 PolarHBondContact O-NH1 3.11Å; E213-R303 VanDerWaalsContact C-NH1 3.32Å; E213-R303 WeakPolarHBondContact O-CD 3.43Å; E213-R303 PolarHBondContact O-NH1 3.47Å; F214-R303 HydrophobicContact CD1-CB 4.31Å; V215-R303 PolarHBondContact O-NE 3.24Å; V215-R303 VanDerWaalsContact O-NE 3.13Å; V215-R303 PolarHBondContact O-NH1 2.87Å; V215-R303 PolarHBondContact O-NH2 3.38Å; V215-R303 VanDerWaalsContact O-NH2 3.13Å; R303-Q305 PolarHBondContact O-N 2.81Å; R303-T306 PolarHBondContact N-O 3.19Å; R303-T306 PolarHBondContact O-N 2.55Å
304	G	69	Low	43	Very low	77 Å²	77	66.5 Å²	66.5	79%	0.794	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	-121.3	-172.9	0	0	0	0	0	110.9
305	Q	63.6	Low	42.5	Very low	204 Å²	204	66.1 Å²	66.1	95%	0.953	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-6.7	172.3	-65.1	-169.7	-4.6	0	0	113.5	R303	R303-Q305 PolarHBondContact O-N 2.81Å
306	T	43.7	Very low	41.8	Very low	79 Å²	79	72 Å²	72	49%	0.485	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132	-177.4	-34.3	0	0	0	0	110.4	F214 T302 R303	F214-T306 HydrophobicContact CE1-CG2 4.25Å; F214-T306 HydrophobicContact CE2-CG2 4.31Å; F214-T306 HydrophobicContact CZ-CG2 3.57Å; T302-T306 CarbonylContact C-O 3.59Å; T302-T306 WeakPolarHBondContact CA-O 3.38Å; R303-T306 PolarHBondContact N-O 3.19Å; R303-T306 PolarHBondContact O-N 2.55Å
307	R	53.6	Low	41	Very low	146 Å²	146	72 Å²	72	55%	0.551	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.3	177.2	176	177.4	163.7	152.4	4.1	110.5	S300 V301 D309	S300-R307 PolarHBondContact OG-NH2 2.91Å; V301-R307 CarbonylContact O-C 3.53Å; V301-R307 WeakPolarHBondContact O-CA 3.45Å; R307-D309 IonicContact CZ-OD1 3.77Å; R307-D309 VanDerWaalsContact CZ-OD1 3.27Å; R307-D309 IonicContact CZ-OD2 3.72Å; R307-D309 VanDerWaalsContact NE-CG 3.28Å; R307-D309 IonicContact NE-OD1 3.63Å; R307-D309 PolarHBondContact NE-OD1 2.83Å; R307-D309 IonicContact NE-OD2 3.86Å; R307-D309 PolarHBondContact NE-OD2 2.77Å; R307-D309 IonicContact NH2-OD1 3.77Å; R307-D309 PolarHBondContact NH2-OD1 2.9Å; R307-D309 IonicContact NH2-OD2 3.87Å; R307-D309 PolarHBondContact NH2-OD2 2.96Å
308	L	39.9	Very low	40.3	Very low	69 Å²	69	77 Å²	77	36%	0.361	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.6	173.9	-179.5	71.2	0	0	0	108.9	F214 S300 V301 A310	F214-L308 HydrophobicContact CD1-CB 4.21Å; F214-L308 HydrophobicContact CD2-CB 4.42Å; F214-L308 HydrophobicContact CD2-CD2 4.43Å; F214-L308 HydrophobicContact CE1-CB 3.7Å; F214-L308 HydrophobicContact CE2-CB 3.94Å; F214-L308 HydrophobicContact CZ-CB 3.54Å; S300-L308 WeakPolarHBondContact CA-O 3.43Å; V301-L308 HydrophobicContact CB-CB 4.43Å; V301-L308 PolarHBondContact N-O 3.29Å; V301-L308 PolarHBondContact O-N 2.81Å; L308-A310 PolarHBondContact O-N 3.2Å
309	D	42.5	Very low	39.6	Very low	77 Å²	77	77.7 Å²	77.7	41%	0.412	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	94.6	171.9	-75.2	-48	0	0	0	110.4	V298 L299 S300 R307 L311	V298-D309 HydrophobicContact CG1-CB 4.31Å; L299-D309 CarbonylContact O-C 3.55Å; S300-D309 VanDerWaalsContact CB-OD1 3.25Å; S300-D309 WeakPolarHBondContact CB-OD1 3.48Å; S300-D309 PolarHBondContact OG-OD1 3.15Å; R307-D309 IonicContact CZ-OD1 3.77Å; R307-D309 VanDerWaalsContact CZ-OD1 3.27Å; R307-D309 IonicContact CZ-OD2 3.72Å; R307-D309 VanDerWaalsContact NE-CG 3.28Å; R307-D309 IonicContact NE-OD1 3.63Å; R307-D309 PolarHBondContact NE-OD1 2.83Å; R307-D309 IonicContact NE-OD2 3.86Å; R307-D309 PolarHBondContact NE-OD2 2.77Å; R307-D309 IonicContact NH2-OD1 3.77Å; R307-D309 PolarHBondContact NH2-OD1 2.9Å; R307-D309 IonicContact NH2-OD2 3.87Å; R307-D309 PolarHBondContact NH2-OD2 2.96Å; D309-L311 PolarHBondContact O-N 2.78Å
310	A	36.3	Very low	39.1	Very low	9 Å²	9	81.6 Å²	81.6	7%	0.074	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	84.9	171.5	0	0	0	0	0	110.7	Y208 L299 L308	Y208-A310 HydrophobicContact CD1-CB 4.14Å; Y208-A310 HydrophobicContact CE1-CB 3.52Å; L299-A310 HydrophobicContact CB-CB 3.99Å; L299-A310 HydrophobicContact CD2-CB 4.37Å; L299-A310 HydrophobicContact CG-CB 4.43Å; L299-A310 PolarHBondContact N-O 2.65Å; L299-A310 CarbonylContact O-C 3.43Å; L299-A310 WeakPolarHBondContact O-CA 3.43Å; L299-A310 WeakPolarHBondContact O-CB 3.37Å; L299-A310 PolarHBondContact O-N 3.04Å; L308-A310 PolarHBondContact O-N 3.2Å
311	L	33.9	Very low	38.4	Very low	106 Å²	106	82.5 Å²	82.5	56%	0.555	47%	0.465	S	S	*	.			trans	-63.5	134.6	155.3	-81.7	159.9	0	0	0	109.4	Y208 V298 D309 L313	Y208-L311 PolarHBondContact OH-O 3.3Å; V298-L311 HydrophobicContact CG1-CG 4.47Å; V298-L311 HydrophobicContact CG2-CD2 3.85Å; D309-L311 PolarHBondContact O-N 2.78Å; L311-L313 PolarHBondContact O-N 3.34Å
312	P	31.1	Very low	38	Very low	47 Å²	47	83.2 Å²	83.2	31%	0.305	47%	0.469	S	S	.	.			trans	-67.3	96.5	170.6	22.3	-26.5	0	0	0	110.5	Y208 T296 A314	Y208-P312 WeakPolarHBondContact OH-CA 3.44Å; T296-P312 HydrophobicContact CG2-CG 4.17Å; P312-A314 PolarHBondContact O-N 2.95Å
313	L	24.6	Very low	37.4	Very low	141 Å²	141	90 Å²	90	74%	0.738	50%	0.498	S	S	*	.			trans	-75.4	40	177.6	-74.1	167	0	0	0	112.7	L311 S315	L311-L313 PolarHBondContact O-N 3.34Å; L313-S315 PolarHBondContact O-N 2.76Å
314	A	25.9	Very low	37.1	Very low	16 Å²	16	86.8 Å²	86.8	13%	0.132	49%	0.486	C	S	.	.	S	Bend	trans	-85.9	95.7	172.6	0	0	0	0	0	108.9	E203 N293 P312	E203-A314 HydrophobicContact CG-CB 4.27Å; N293-A314 PolarHBondContact ND2-O 2.88Å; N293-A314 PolarHBondContact OD1-O 3.44Å; P312-A314 PolarHBondContact O-N 2.95Å
315	S	24.8	Very low	36.2	Very low	33 Å²	33	83.3 Å²	83.3	23%	0.231	45%	0.45	C	S	.	.			trans	80.3	114.3	-170.3	-173.8	0	0	0	0	115.6	L313 S317	L313-S315 PolarHBondContact O-N 2.76Å; S315-S317 PolarHBondContact O-N 2.8Å; S315-S317 WeakPolarHBondContact OG-CA 3.11Å; S315-S317 VanDerWaalsContact OG-CB 3.26Å; S315-S317 WeakPolarHBondContact OG-CB 3.39Å; S315-S317 PolarHBondContact OG-N 2.93Å; S315-S317 PolarHBondContact OG-O 3.45Å
316	L	21.3	Very low	35.5	Very low	172 Å²	172	73.7 Å²	73.7	90%	0.901	41%	0.405	S	S	*	.	S	Bend	trans	-71.6	6.2	161.1	-79.9	164.3	0	0	0	113.3
317	S	23.1	Very low	35.9	Very low	61 Å²	61	70.4 Å²	70.4	43%	0.427	38%	0.384	S	S	.	.	S	Bend	trans	-110.1	120.9	176.5	-43.7	0	0	0	0	109.9	S315 I319	S315-S317 PolarHBondContact O-N 2.8Å; S315-S317 WeakPolarHBondContact OG-CA 3.11Å; S315-S317 VanDerWaalsContact OG-CB 3.26Å; S315-S317 WeakPolarHBondContact OG-CB 3.39Å; S315-S317 PolarHBondContact OG-N 2.93Å; S315-S317 PolarHBondContact OG-O 3.45Å; S317-I319 PolarHBondContact O-N 2.75Å
318	V	24.5	Very low	35.8	Very low	151 Å²	151	63.5 Å²	63.5	92%	0.915	36%	0.357	S	S	*	.			trans	-71.2	100.4	169	178.9	0	0	0	0	108.5
319	I	28.1	Very low	36.5	Very low	55 Å²	55	61.1 Å²	61.1	28%	0.282	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-99.3	118.9	177.5	-62.7	155.7	0	0	0	107.5	D199 K202 S317 G321	D199-I319 HydrophobicContact CB-CD1 4.12Å; D199-I319 HydrophobicContact CB-CG2 3.99Å; K202-I319 HydrophobicContact CD-CD1 3.84Å; S317-I319 PolarHBondContact O-N 2.75Å; I319-G321 PolarHBondContact O-N 3.07Å
320	P	30.8	Very low	37.1	Very low	117 Å²	117	57.5 Å²	57.5	76%	0.76	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-67.8	124.3	174.3	27.9	-32.6	0	0	0	109.7
321	G	34.1	Very low	37.9	Very low	21 Å²	21	57.2 Å²	57.2	22%	0.216	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-63.4	156.9	178.3	0	0	0	0	0	113.2	I319	I319-G321 PolarHBondContact O-N 3.07Å
322	P	38.6	Very low	38.6	Very low	17 Å²	17	52.4 Å²	52.4	11%	0.11	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-62.8	138.4	-173.7	28.2	-37.1	0	0	0	111.9	Y230 R324 V325	Y230-P322 WeakPolarHBondContact CD1-O 2.91Å; Y230-P322 WeakPolarHBondContact CE1-O 3.43Å; P322-R324 VanDerWaalsContact C-N 3.28Å; P322-R324 PolarHBondContact O-N 3.02Å; P322-V325 HydrophobicContact CB-CG2 4.4Å; P322-V325 HydrophobicContact CG-CG2 3.84Å
323	Q	42.5	Very low	39.1	Very low	178 Å²	178	52.9 Å²	52.9	83%	0.832	30%	0.298	S	S	*	.	S	Bend	trans	-72.3	-23.8	-177.6	-65.7	-171.1	1.6	0	0	113.4
324	R	47.7	Very low	40.1	Very low	47 Å²	47	47.5 Å²	47.5	18%	0.177	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.7	179	-178	-175.1	-166.8	157	5.9	108.2	R231 E233 E255 S264 P322 L326	R231-R324 HydrophobicContact CB-CG 4.43Å; R231-R324 CarbonylContact O-C 3.5Å; E233-R324 IonicContact OE1-CZ 3.3Å; E233-R324 IonicContact OE1-NE 3.33Å; E233-R324 IonicContact OE1-NH2 2.7Å; E233-R324 PolarHBondContact OE1-NH2 3.33Å; E233-R324 IonicContact OE2-CZ 3.57Å; E233-R324 IonicContact OE2-NE 2.75Å; E233-R324 IonicContact OE2-NH2 2.77Å; E233-R324 PolarHBondContact OE2-NH2 2.77Å; E255-R324 IonicContact OE1-CZ 2.6Å; E255-R324 IonicContact OE1-NH1 2.68Å; E255-R324 PolarHBondContact OE1-NH1 2.84Å; E255-R324 IonicContact OE1-NH2 3.09Å; E255-R324 PolarHBondContact OE1-NH2 3.29Å; E255-R324 IonicContact OE2-CZ 2.84Å; E255-R324 IonicContact OE2-NH1 3.07Å; E255-R324 IonicContact OE2-NH2 2.72Å; E255-R324 PolarHBondContact OE2-NH2 3.41Å; S264-R324 CarbonylContact C-O 3.37Å; S264-R324 WeakPolarHBondContact CB-O 3.02Å; P322-R324 VanDerWaalsContact C-N 3.28Å; P322-R324 PolarHBondContact O-N 3.02Å; R324-L326 HydrophobicContact CG-CD2 4.41Å; R324-L326 HydrophobicContact CG-CG 4.36Å; R324-L326 VanDerWaalsContact NE-CD2 3.31Å
325	V	48.6	Very low	41	Very low	4 Å²	4	49 Å²	49	2%	0.024	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.9	171.8	-169.9	0	0	0	0	109.2	R231 V232 E233 A266 P322 F327	R231-V325 PolarHBondContact O-N 3.12Å; V232-V325 WeakPolarHBondContact CA-O 3.23Å; V232-V325 HydrophobicContact CG1-CB 4.3Å; V232-V325 HydrophobicContact CG2-CB 4.35Å; E233-V325 PolarHBondContact N-O 2.59Å; A266-V325 HydrophobicContact CB-CG1 3.89Å; P322-V325 HydrophobicContact CB-CG2 4.4Å; P322-V325 HydrophobicContact CG-CG2 3.84Å; V325-F327 HydrophobicContact CB-CE2 4.37Å; V325-F327 HydrophobicContact CG1-CD2 3.89Å; V325-F327 HydrophobicContact CG1-CE2 3.5Å; V325-F327 VanDerWaalsContact CG1-CE2 3.5Å; V325-F327 HydrophobicContact CG1-CZ 4.45Å
326	L	49.6	Very low	42	Very low	2 Å²	2	50.5 Å²	50.5	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.8	177.4	-70.6	-176.1	0	0	0	110.5	E233 E255 F256 V265 A266 R324 V328	E233-L326 HydrophobicContact CB-CD2 3.96Å; E255-L326 VanDerWaalsContact O-CD1 3.23Å; E255-L326 WeakPolarHBondContact O-CD1 2.83Å; F256-L326 HydrophobicContact CD1-CD1 4.03Å; F256-L326 HydrophobicContact CE1-CB 4.13Å; F256-L326 HydrophobicContact CE1-CD1 4.09Å; F256-L326 HydrophobicContact CE1-CD2 3.75Å; F256-L326 HydrophobicContact CE1-CG 4.22Å; F256-L326 HydrophobicContact CZ-CD2 4Å; V265-L326 HydrophobicContact CG1-CB 4.19Å; V265-L326 HydrophobicContact CG2-CB 4.22Å; V265-L326 HydrophobicContact CG2-CD1 3.96Å; V265-L326 HydrophobicContact CG2-CG 4.26Å; A266-L326 CarbonylContact C-O 3.5Å; A266-L326 VanDerWaalsContact C-O 3.24Å; A266-L326 PolarHBondContact N-O 2.87Å; R324-L326 HydrophobicContact CG-CD2 4.41Å; R324-L326 HydrophobicContact CG-CG 4.36Å; R324-L326 VanDerWaalsContact NE-CD2 3.31Å; L326-V328 PolarHBondContact O-N 3.05Å
327	F	51.7	Low	42.8	Very low	10 Å²	10	52.8 Å²	52.8	4%	0.044	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	93.6	174	-77.4	-110.1	0	0	0	109.8	V232 E233 A234 M235 I268 F284 V325 L329 L367	V232-F327 HydrophobicContact CG1-CD2 3.75Å; V232-F327 HydrophobicContact CG1-CE2 3.43Å; V232-F327 VanDerWaalsContact CG1-CE2 3.43Å; V232-F327 HydrophobicContact CG1-CZ 4.47Å; E233-F327 PolarHBondContact O-N 3.06Å; A234-F327 VanDerWaalsContact CA-O 3.29Å; A234-F327 WeakPolarHBondContact CA-O 3.48Å; A234-F327 HydrophobicContact CB-CB 3.92Å; M235-F327 PolarHBondContact N-O 3.38Å; I268-F327 HydrophobicContact CD1-CD1 3.46Å; I268-F327 VanDerWaalsContact CD1-CD1 3.46Å; I268-F327 HydrophobicContact CD1-CE1 3.36Å; I268-F327 HydrophobicContact CD1-CZ 4.37Å; I268-F327 HydrophobicContact CG1-CD1 4.23Å; I268-F327 HydrophobicContact CG1-CE1 4.49Å; F284-F327 AromaticContact CD2-CE1 3.87Å; F284-F327 HydrophobicContact CD2-CE1 3.87Å; F284-F327 HydrophobicContact CE2-CD1 4.11Å; F284-F327 AromaticContact CE2-CE1 3.42Å; F284-F327 HydrophobicContact CE2-CE1 3.42Å; F284-F327 VanDerWaalsContact CE2-CE1 3.42Å; F284-F327 HydrophobicContact CE2-CZ 4.21Å; F284-F327 AromaticContact CZ-CE1 3.96Å; F284-F327 HydrophobicContact CZ-CE1 3.96Å; F284-F327 HydrophobicContact CZ-CZ 4.34Å; V325-F327 HydrophobicContact CB-CE2 4.37Å; V325-F327 HydrophobicContact CG1-CD2 3.89Å; V325-F327 HydrophobicContact CG1-CE2 3.5Å; V325-F327 VanDerWaalsContact CG1-CE2 3.5Å; V325-F327 HydrophobicContact CG1-CZ 4.45Å; F327-L329 HydrophobicContact CB-CD2 4.31Å; F327-L329 PolarHBondContact O-N 2.9Å; F327-L367 HydrophobicContact CD1-CD1 3.9Å; F327-L367 HydrophobicContact CD2-CD1 3.72Å; F327-L367 HydrophobicContact CE1-CD1 3.81Å; F327-L367 HydrophobicContact CE2-CD1 3.64Å; F327-L367 HydrophobicContact CG-CD1 3.87Å; F327-L367 HydrophobicContact CZ-CD1 3.68Å
328	V	52.7	Low	43.3	Very low	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	104	172	175.3	0	0	0	0	108.8	M237 Y242 F256 V267 I268 L326 V330	M237-V328 HydrophobicContact CE-CG1 3.76Å; M237-V328 HydrophobicContact CG-CG1 3.94Å; M237-V328 HydrophobicContact SD-CG1 3.74Å; Y242-V328 HydrophobicContact CD2-CG1 4.13Å; Y242-V328 HydrophobicContact CE2-CG1 4.39Å; F256-V328 HydrophobicContact CD1-CG2 3.53Å; F256-V328 HydrophobicContact CE1-CG2 3.98Å; V267-V328 HydrophobicContact CB-CB 4.43Å; V267-V328 HydrophobicContact CG1-CB 4.08Å; V267-V328 HydrophobicContact CG1-CG1 4.37Å; V267-V328 HydrophobicContact CG2-CB 4.14Å; V267-V328 HydrophobicContact CG2-CG2 4.38Å; I268-V328 CarbonylContact C-O 3.6Å; I268-V328 PolarHBondContact N-O 2.88Å; L326-V328 PolarHBondContact O-N 3.05Å; V328-V330 HydrophobicContact CG1-CG2 4.05Å; V328-V330 PolarHBondContact O-N 2.96Å
329	L	54.3	Low	43.5	Very low	19 Å²	19	58.1 Å²	58.1	10%	0.099	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	105.6	177.5	-41.7	-177.4	0	0	0	108.9	M235 A236 M237 I268 V270 W278 F327 V352	M235-L329 PolarHBondContact O-N 3.09Å; A236-L329 WeakPolarHBondContact CA-O 3.11Å; A236-L329 HydrophobicContact CB-CB 4.4Å; M237-L329 PolarHBondContact N-O 2.77Å; I268-L329 WeakPolarHBondContact O-CA 3.32Å; V270-L329 HydrophobicContact CB-CB 4.32Å; V270-L329 HydrophobicContact CG2-CB 4.26Å; V270-L329 HydrophobicContact CG2-CD2 3.7Å; V270-L329 HydrophobicContact CG2-CG 4.5Å; W278-L329 HydrophobicContact CE3-CD1 4.38Å; W278-L329 HydrophobicContact CH2-CB 3.97Å; W278-L329 HydrophobicContact CH2-CD1 3.62Å; W278-L329 HydrophobicContact CH2-CG 4.47Å; W278-L329 HydrophobicContact CZ2-CD1 4.01Å; W278-L329 HydrophobicContact CZ3-CB 3.86Å; W278-L329 HydrophobicContact CZ3-CD1 3.85Å; F327-L329 HydrophobicContact CB-CD2 4.31Å; F327-L329 PolarHBondContact O-N 2.9Å; L329-V352 HydrophobicContact CD1-CG1 3.97Å; L329-V352 HydrophobicContact CD1-CG2 4.11Å
330	V	54.2	Low	43.7	Very low	2 Å²	2	62.8 Å²	62.8	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	111.5	-178.8	-171.6	0	0	0	0	110	M237 L239 Y242 V267 P269 V270 V328 A332	M237-V330 WeakPolarHBondContact O-CA 3.08Å; L239-V330 HydrophobicContact CB-CG1 3.95Å; L239-V330 HydrophobicContact CD1-CG1 3.61Å; L239-V330 HydrophobicContact CG-CG1 4.35Å; Y242-V330 HydrophobicContact CD1-CG1 3.95Å; Y242-V330 HydrophobicContact CD1-CG2 3.97Å; Y242-V330 HydrophobicContact CD2-CG2 3.59Å; Y242-V330 HydrophobicContact CE1-CG2 4.29Å; Y242-V330 HydrophobicContact CE2-CG2 3.95Å; Y242-V330 HydrophobicContact CG-CB 4.43Å; Y242-V330 HydrophobicContact CG-CG1 3.87Å; Y242-V330 HydrophobicContact CG-CG2 3.61Å; V267-V330 HydrophobicContact CG1-CG2 4.18Å; P269-V330 HydrophobicContact CB-CB 4.47Å; V270-V330 PolarHBondContact N-O 2.8Å; V328-V330 HydrophobicContact CG1-CG2 4.05Å; V328-V330 PolarHBondContact O-N 2.96Å; V330-A332 PolarHBondContact O-N 3.45Å
331	D	54.1	Low	43.8	Very low	2 Å²	2	57.9 Å²	57.9	1%	0.011	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	108.8	175.5	-179.8	19.4	0	0	0	111	M237 L239 M333 T334 W341	M237-D331 PolarHBondContact O-N 2.7Å; L239-D331 VanDerWaalsContact CB-O 3.3Å; L239-D331 WeakPolarHBondContact CB-O 3.16Å; L239-D331 PolarHBondContact N-O 3.04Å; D331-M333 VanDerWaalsContact C-N 3.29Å; D331-M333 PolarHBondContact O-N 3.39Å; D331-M333 WeakPolarHBondContact OD1-CB 3.39Å; D331-M333 PolarHBondContact OD1-N 2.82Å; D331-T334 WeakPolarHBondContact OD2-CB 3.16Å; D331-T334 VanDerWaalsContact OD2-CG2 3.27Å; D331-T334 WeakPolarHBondContact OD2-CG2 3Å; D331-T334 PolarHBondContact OD2-OG1 2.94Å; D331-W341 HydrophobicContact CB-CH2 3.84Å; D331-W341 HydrophobicContact CB-CZ2 3.29Å; D331-W341 VanDerWaalsContact OD2-CE2 3.28Å; D331-W341 VanDerWaalsContact OD2-CZ2 3.29Å; D331-W341 WeakPolarHBondContact OD2-CZ2 3.02Å; D331-W341 PolarHBondContact OD2-NE1 3.29Å
332	A	48.6	Very low	43.7	Very low	6 Å²	6	66.8 Å²	66.8	5%	0.05	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19	176.7	0	0	0	0	0	114	L172 A173 L239 V330	L172-A332 CarbonylContact C-O 3.53Å; L172-A332 HydrophobicContact CB-CB 4.24Å; A173-A332 WeakPolarHBondContact CA-O 3.45Å; A173-A332 WeakPolarHBondContact CB-O 3.43Å; A173-A332 PolarHBondContact N-O 3.19Å; A173-A332 VanDerWaalsContact N-O 3.09Å; L239-A332 HydrophobicContact CD2-CB 4.5Å; V330-A332 PolarHBondContact O-N 3.45Å
333	M	41.1	Very low	43.4	Very low	56 Å²	56	67.4 Å²	67.4	28%	0.276	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-12.1	-170	-62.3	-62.3	-67.6	0	0	114.3	R271 D331	R271-M333 PolarHBondContact NH2-SD 2.95Å; D331-M333 VanDerWaalsContact C-N 3.29Å; D331-M333 PolarHBondContact O-N 3.39Å; D331-M333 WeakPolarHBondContact OD1-CB 3.39Å; D331-M333 PolarHBondContact OD1-N 2.82Å
334	T	45.8	Very low	42.9	Very low	28 Å²	28	59.7 Å²	59.7	17%	0.172	27%	0.269	C	S	.	.			trans	-131.1	163.2	-167.7	61.5	0	0	0	0	114.3	D331 W341	D331-T334 WeakPolarHBondContact OD2-CB 3.16Å; D331-T334 VanDerWaalsContact OD2-CG2 3.27Å; D331-T334 WeakPolarHBondContact OD2-CG2 3Å; D331-T334 PolarHBondContact OD2-OG1 2.94Å; T334-W341 VanDerWaalsContact OG1-CD1 3.31Å; T334-W341 PolarHBondContact OG1-NE1 3.13Å; T334-W341 VanDerWaalsContact OG1-NE1 3.09Å
335	S	45.8	Very low	41.9	Very low	48 Å²	48	59.9 Å²	59.9	34%	0.336	28%	0.277	S	S	.	.			trans	-141.2	151.2	179.3	58.5	0	0	0	0	111.2	D240 R337 L338	D240-S335 VanDerWaalsContact OD2-CA 3.26Å; D240-S335 WeakPolarHBondContact OD2-CA 3.48Å; D240-S335 WeakPolarHBondContact OD2-CB 3.28Å; S335-R337 PolarHBondContact O-N 2.93Å; S335-L338 PolarHBondContact O-N 3.41Å
336	D	44.4	Very low	40.9	Very low	65 Å²	65	64.3 Å²	64.3	35%	0.348	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-6.8	-179	-164.2	64	0	0	0	114.1	D240 R241 L338	D240-D336 PolarHBondContact OD1-N 3.04Å; D240-D336 WeakPolarHBondContact OD2-CB 3.29Å; D240-D336 PolarHBondContact OD2-N 3.49Å; R241-D336 IonicContact CZ-OD1 3.34Å; R241-D336 IonicContact CZ-OD2 3.47Å; R241-D336 VanDerWaalsContact CZ-OD2 3.25Å; R241-D336 IonicContact NE-OD1 2.65Å; R241-D336 PolarHBondContact NE-OD1 3.06Å; R241-D336 IonicContact NE-OD2 3.49Å; R241-D336 IonicContact NH1-OD2 2.88Å; R241-D336 IonicContact NH2-OD1 2.68Å; R241-D336 PolarHBondContact NH2-OD1 2.95Å; R241-D336 IonicContact NH2-OD2 3.34Å; R241-D336 PolarHBondContact NH2-OD2 3.33Å; D336-L338 PolarHBondContact O-N 2.95Å
337	R	38.7	Very low	39.9	Very low	220 Å²	220	71.4 Å²	71.4	83%	0.83	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-19.4	169.6	-66.4	-173.5	173.3	-160.4	-2.7	113.2	S335	S335-R337 PolarHBondContact O-N 2.93Å
338	L	33.4	Very low	38.9	Very low	99 Å²	99	72.7 Å²	72.7	52%	0.518	35%	0.354	S	S	.	.	S	Bend	trans	-83.4	113	170.4	-65.1	175.1	0	0	0	109.3	S335 D336 F340	S335-L338 PolarHBondContact O-N 3.41Å; D336-L338 PolarHBondContact O-N 2.95Å; L338-F340 PolarHBondContact O-N 2.63Å
339	R	28.7	Very low	37.8	Very low	224 Å²	224	75.4 Å²	75.4	85%	0.845	38%	0.382	S	S	*	.	S	Bend	trans	-55	-15	175.3	-74	-173.6	175.8	-176.5	-1.3	114.6
340	F	32.6	Very low	37.1	Very low	153 Å²	153	76.8 Å²	76.8	67%	0.671	39%	0.391	S	S	*	.	S	Bend	trans	-140.5	111.5	173.3	-48.2	-81.4	0	0	0	107.3	L338	L338-F340 PolarHBondContact O-N 2.63Å
341	W	31.8	Very low	36.4	Very low	15 Å²	15	84.2 Å²	84.2	6%	0.057	43%	0.426	C	S	.	.			trans	-85	127.1	165	170.8	44.5	0	0	0	109.2	A236 P238 D331 T334 C343 V354 N356	A236-W341 HydrophobicContact CB-CH2 3.89Å; A236-W341 HydrophobicContact CB-CZ3 4.28Å; P238-W341 VanDerWaalsContact CD-CZ3 3.49Å; P238-W341 HydrophobicContact CG-CD2 3.97Å; P238-W341 HydrophobicContact CG-CE3 3.54Å; P238-W341 HydrophobicContact CG-CG 4.47Å; P238-W341 HydrophobicContact CG-CZ3 4.01Å; D331-W341 HydrophobicContact CB-CH2 3.84Å; D331-W341 HydrophobicContact CB-CZ2 3.29Å; D331-W341 VanDerWaalsContact OD2-CE2 3.28Å; D331-W341 VanDerWaalsContact OD2-CZ2 3.29Å; D331-W341 WeakPolarHBondContact OD2-CZ2 3.02Å; D331-W341 PolarHBondContact OD2-NE1 3.29Å; T334-W341 VanDerWaalsContact OG1-CD1 3.31Å; T334-W341 PolarHBondContact OG1-NE1 3.13Å; T334-W341 VanDerWaalsContact OG1-NE1 3.09Å; W341-C343 HydrophobicContact CD2-CB 4.32Å; W341-C343 HydrophobicContact CH2-CB 3.98Å; W341-C343 HydrophobicContact CZ2-CB 3.54Å; W341-C343 WeakPolarHBondContact CZ2-SG 3.26Å; W341-V354 HydrophobicContact CD2-CG1 4.29Å; W341-V354 HydrophobicContact CE3-CG1 3.6Å; W341-V354 HydrophobicContact CH2-CG2 4.43Å; W341-V354 HydrophobicContact CZ3-CB 4.34Å; W341-V354 HydrophobicContact CZ3-CG1 3.81Å; W341-V354 HydrophobicContact CZ3-CG2 4.19Å; W341-N356 WeakPolarHBondContact CB-OD1 3.49Å; W341-N356 VanDerWaalsContact CE3-OD1 3.22Å; W341-N356 PolarHBondContact O-ND2 3.27Å
342	W	32.2	Very low	36.1	Very low	207 Å²	207	84.9 Å²	84.9	78%	0.784	43%	0.43	S	S	*	.			trans	-106.9	92.2	-178.5	-73.6	50.2	0	0	0	108.5	G344	W342-G344 PolarHBondContact O-N 3.28Å
343	C	33.3	Very low	36.2	Very low	30 Å²	30	85.6 Å²	85.6	20%	0.203	43%	0.434	C	S	.	.			trans	-83.9	98.9	178.7	-163.8	0	0	0	0	110.3	W278 W341 V354	W278-C343 WeakPolarHBondContact CH2-SG 3.11Å; W278-C343 WeakPolarHBondContact CZ2-SG 2.99Å; W341-C343 HydrophobicContact CD2-CB 4.32Å; W341-C343 HydrophobicContact CH2-CB 3.98Å; W341-C343 HydrophobicContact CZ2-CB 3.54Å; W341-C343 WeakPolarHBondContact CZ2-SG 3.26Å; C343-V354 HydrophobicContact CB-CG1 4.35Å; C343-V354 HydrophobicContact CB-CG2 3.54Å
344	G	31.7	Very low	36.7	Very low	17 Å²	17	85.3 Å²	85.3	18%	0.175	44%	0.435	C	S	.	.	S	Bend	trans	73.6	157.4	-170.1	0	0	0	0	0	112.9	W342	W342-G344 PolarHBondContact O-N 3.28Å
345	S	27.8	Very low	37.1	Very low	50 Å²	50	84.2 Å²	84.2	35%	0.35	43%	0.428	S	S	.	.			trans	-73.2	151.6	166.4	59.4	0	0	0	0	109.6	H347 L348	S345-H347 PolarHBondContact O-N 3.4Å; S345-L348 PolarHBondContact O-N 3.05Å
346	A	26.3	Very low	37.3	Very low	98 Å²	98	84.2 Å²	84.2	81%	0.81	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	31.4	174.6	0	0	0	0	0	113.2
347	H	28.6	Very low	37.7	Very low	150 Å²	150	86.1 Å²	86.1	69%	0.694	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	-10.9	-175.5	-51.4	-23.9	0	0	0	111.5	S345	S345-H347 PolarHBondContact O-N 3.4Å
348	L	30.3	Very low	38	Very low	37 Å²	37	79.5 Å²	79.5	19%	0.194	42%	0.421	C	S	.	.	S	Bend	trans	-99.3	11.6	-173.5	-62.5	178.3	0	0	0	115	G276 S345 V350	G276-L348 VanDerWaalsContact C-CD1 3.45Å; G276-L348 VanDerWaalsContact O-CD1 3.27Å; G276-L348 WeakPolarHBondContact O-CD1 3.49Å; S345-L348 PolarHBondContact O-N 3.05Å; L348-V350 PolarHBondContact O-N 3.48Å
349	G	31	Very low	38.7	Very low	58 Å²	58	78.1 Å²	78.1	60%	0.598	43%	0.431	S	S	*	.			trans	70.2	-22.9	166	0	0	0	0	0	118.4
350	V	37.9	Very low	40	Very low	47 Å²	47	69.5 Å²	69.5	29%	0.285	41%	0.405	S	S	.	.			trans	-100.4	102.1	-169.8	-177.2	0	0	0	0	111.7	L348 V352 L370	L348-V350 PolarHBondContact O-N 3.48Å; V350-V352 HydrophobicContact CG1-CG2 4.36Å; V350-V352 PolarHBondContact O-N 3.37Å; V350-L370 HydrophobicContact CG1-CD2 3.59Å
351	H	41.1	Very low	41.1	Very low	158 Å²	158	73.3 Å²	73.3	73%	0.731	42%	0.415	S	S	*	.			trans	-83.6	92.6	174.4	-76.7	-81.2	0	0	0	112.1
352	V	46.3	Very low	42.2	Very low	16 Å²	16	74 Å²	74	10%	0.097	42%	0.422	C	S	.	.			trans	-83.7	137.4	156.6	-172.4	0	0	0	0	108.2	A236 W278 L329 V350 V354 L370	A236-V352 HydrophobicContact CB-CG1 3.92Å; W278-V352 HydrophobicContact CZ2-CB 4.3Å; W278-V352 HydrophobicContact CZ2-CG2 4.26Å; L329-V352 HydrophobicContact CD1-CG1 3.97Å; L329-V352 HydrophobicContact CD1-CG2 4.11Å; V350-V352 HydrophobicContact CG1-CG2 4.36Å; V350-V352 PolarHBondContact O-N 3.37Å; V352-V354 WeakPolarHBondContact O-CG2 3.46Å; V352-L370 HydrophobicContact CG2-CD1 4.25Å; V352-L370 HydrophobicContact CG2-CD2 4Å
353	P	51.1	Low	43.4	Very low	21 Å²	21	71.1 Å²	71.1	14%	0.136	42%	0.417	C	S	.	.			trans	-76	146.3	178.2	-10.7	28.6	0	0	0	111.3	A236 E363 T365	A236-P353 WeakPolarHBondContact CB-O 3.49Å; A236-P353 PolarHBondContact N-O 3.44Å; P353-E363 HydrophobicContact CB-CB 3.66Å; P353-E363 WeakPolarHBondContact CB-O 3.34Å; P353-E363 HydrophobicContact CG-CB 3.89Å; P353-E363 WeakPolarHBondContact CG-O 3.25Å; P353-T365 WeakPolarHBondContact CD-OG1 3.49Å; P353-T365 WeakPolarHBondContact CG-OG1 3.44Å
354	V	51.1	Low	44.4	Very low	51 Å²	51	72 Å²	72	31%	0.309	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-132.9	114	-153	150.6	0	0	0	0	109.6	A236 W341 C343 V352 N356	A236-V354 HydrophobicContact CB-CG2 3.8Å; W341-V354 HydrophobicContact CD2-CG1 4.29Å; W341-V354 HydrophobicContact CE3-CG1 3.6Å; W341-V354 HydrophobicContact CH2-CG2 4.43Å; W341-V354 HydrophobicContact CZ3-CB 4.34Å; W341-V354 HydrophobicContact CZ3-CG1 3.81Å; W341-V354 HydrophobicContact CZ3-CG2 4.19Å; C343-V354 HydrophobicContact CB-CG1 4.35Å; C343-V354 HydrophobicContact CB-CG2 3.54Å; V352-V354 WeakPolarHBondContact O-CG2 3.46Å; V354-N356 WeakPolarHBondContact CG1-OD1 3.5Å; V354-N356 PolarHBondContact O-N 3.47Å; V354-N356 VanDerWaalsContact O-N 3.12Å
355	W	56.1	Low	45.5	Very low	5 Å²	5	72 Å²	72	2%	0.019	42%	0.42	C	S	.	.			trans	-88.5	83.1	-168.3	-166.4	46.5	0	0	0	112.9	M235 A236 M237 R241 I253 S360	M235-W355 HydrophobicContact CE-CB 3.37Å; M235-W355 HydrophobicContact CE-CD2 3.81Å; M235-W355 HydrophobicContact CE-CE3 3.93Å; M235-W355 HydrophobicContact CE-CG 3.58Å; A236-W355 PolarHBondContact O-N 3.01Å; M237-W355 HydrophobicContact CB-CB 4.39Å; M237-W355 HydrophobicContact CB-CE3 4.25Å; M237-W355 HydrophobicContact CE-CE3 4.3Å; R241-W355 HydrophobicContact CB-CE3 3.9Å; R241-W355 HydrophobicContact CB-CZ3 3.89Å; R241-W355 HydrophobicContact CG-CE3 4.35Å; R241-W355 HydrophobicContact CG-CZ3 4.46Å; I253-W355 HydrophobicContact CB-CH2 4.34Å; I253-W355 HydrophobicContact CB-CZ2 4.48Å; I253-W355 HydrophobicContact CD1-CH2 3.6Å; I253-W355 HydrophobicContact CD1-CZ3 3.67Å; I253-W355 HydrophobicContact CG1-CH2 3.57Å; I253-W355 HydrophobicContact CG1-CZ2 4.07Å; I253-W355 HydrophobicContact CG1-CZ3 4.1Å; I253-W355 HydrophobicContact CG2-CD2 4.17Å; I253-W355 HydrophobicContact CG2-CE3 4.12Å; I253-W355 HydrophobicContact CG2-CH2 3.91Å; I253-W355 HydrophobicContact CG2-CZ2 3.93Å; I253-W355 HydrophobicContact CG2-CZ3 4Å; W355-S360 PolarHBondContact NE1-O 3.42Å
356	N	50	Low	46.7	Very low	47 Å²	47	72.3 Å²	72.3	25%	0.251	42%	0.422	S	S	.	.			trans	-89	-13	-172	-77.6	6.3	0	0	0	115.9	W341 V354	W341-N356 WeakPolarHBondContact CB-OD1 3.49Å; W341-N356 VanDerWaalsContact CE3-OD1 3.22Å; W341-N356 PolarHBondContact O-ND2 3.27Å; V354-N356 WeakPolarHBondContact CG1-OD1 3.5Å; V354-N356 PolarHBondContact O-N 3.47Å; V354-N356 VanDerWaalsContact O-N 3.12Å
357	L	50.9	Low	47.8	Very low	105 Å²	105	68.7 Å²	68.7	55%	0.55	39%	0.389	S	S	.	.	S	Bend	trans	-142.9	125.9	-165.5	-66.6	171.8	0	0	0	112.3	G359 S360	L357-G359 PolarHBondContact O-N 3.34Å; L357-S360 PolarHBondContact O-N 2.96Å; L357-S360 PolarHBondContact O-OG 3.33Å
358	S	46.4	Very low	48.6	Very low	82 Å²	82	66.2 Å²	66.2	57%	0.573	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	108.1	161.5	51.9	0	0	0	0	110.4
359	G	47.2	Very low	49.5	Very low	69 Å²	69	71.8 Å²	71.8	71%	0.711	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.3	-11.9	-176.2	0	0	0	0	0	115.1	L357	L357-G359 PolarHBondContact O-N 3.34Å
360	S	56.1	Low	50.3	Low	44 Å²	44	70.3 Å²	70.3	31%	0.308	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-76.1	134.8	164.1	62.2	0	0	0	0	109.8	W355 L357	W355-S360 PolarHBondContact NE1-O 3.42Å; L357-S360 PolarHBondContact O-N 2.96Å; L357-S360 PolarHBondContact O-OG 3.33Å
361	R	55.4	Low	50.6	Low	232 Å²	232	69.6 Å²	69.6	88%	0.875	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-68.7	139.8	168.3	-77.4	-173.7	173.8	-174.6	-2.3	108.6
362	P	55.6	Low	50.9	Low	31 Å²	31	64.9 Å²	64.9	20%	0.201	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-68	140.4	167.6	33.6	-37.6	0	0	0	109.4	M235 I253 F256	M235-P362 HydrophobicContact CE-CB 3.58Å; M235-P362 HydrophobicContact SD-CB 3.89Å; I253-P362 HydrophobicContact CG2-CB 4.33Å; I253-P362 HydrophobicContact CG2-CG 4.01Å; I253-P362 WeakPolarHBondContact O-CG 3.45Å; F256-P362 HydrophobicContact CD2-CB 4.16Å; F256-P362 HydrophobicContact CD2-CG 4.14Å
363	E	57	Low	51	Low	145 Å²	145	67 Å²	67	68%	0.678	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-101.6	151	162.5	-66.2	178.8	167.1	0	0	108	P353	P353-E363 HydrophobicContact CB-CB 3.66Å; P353-E363 WeakPolarHBondContact CB-O 3.34Å; P353-E363 HydrophobicContact CG-CB 3.89Å; P353-E363 WeakPolarHBondContact CG-O 3.25Å
364	S	55.4	Low	50.6	Low	49 Å²	49	70.5 Å²	70.5	34%	0.343	37%	0.365	S	S	.	.			trans	-117.3	143.6	173.1	70.9	0	0	0	0	110.8	E233 A234	E233-S364 PolarHBondContact OE2-OG 3.02Å; A234-S364 WeakPolarHBondContact O-CA 3.31Å
365	T	53.9	Low	50.2	Low	17 Å²	17	69.3 Å²	69.3	10%	0.104	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.2	174.4	-73.2	0	0	0	0	110	E233 A234 P353 L367 R369 L370	E233-T365 WeakPolarHBondContact CA-O 3.33Å; A234-T365 PolarHBondContact N-O 3.35Å; A234-T365 PolarHBondContact O-N 2.98Å; P353-T365 WeakPolarHBondContact CD-OG1 3.49Å; P353-T365 WeakPolarHBondContact CG-OG1 3.44Å; T365-L367 PolarHBondContact O-N 3.1Å; T365-R369 HydrophobicContact CG2-CB 4.42Å; T365-L370 HydrophobicContact CG2-CD1 4.47Å; T365-L370 HydrophobicContact CG2-CD2 3.7Å; T365-L370 HydrophobicContact CG2-CG 3.88Å
366	S	53.8	Low	49.7	Very low	57 Å²	57	73.7 Å²	73.7	40%	0.399	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	131.1	173.5	175.2	0	0	0	0	111	E368 R369 L370	S366-E368 PolarHBondContact O-N 3.26Å; S366-E368 PolarHBondContact OG-N 3.49Å; S366-R369 WeakPolarHBondContact O-CB 3.45Å; S366-R369 PolarHBondContact O-N 3.15Å; S366-L370 PolarHBondContact O-N 2.95Å
367	L	48.8	Very low	49	Very low	22 Å²	22	73.3 Å²	73.3	12%	0.115	39%	0.388	C	S	.	.	H	α-helix	trans	-67	-25.4	180	-165.3	144.6	0	0	0	112.4	V232 F284 F327 T365 R369 L370 F371	V232-L367 HydrophobicContact CB-CB 4.12Å; V232-L367 HydrophobicContact CG1-CB 3.58Å; V232-L367 HydrophobicContact CG1-CD1 3.83Å; V232-L367 HydrophobicContact CG1-CG 4.18Å; V232-L367 PolarHBondContact O-N 2.78Å; F284-L367 HydrophobicContact CE2-CD1 4.36Å; F284-L367 HydrophobicContact CZ-CD1 3.95Å; F284-L367 HydrophobicContact CZ-CD2 4.17Å; F327-L367 HydrophobicContact CD1-CD1 3.9Å; F327-L367 HydrophobicContact CD2-CD1 3.72Å; F327-L367 HydrophobicContact CE1-CD1 3.81Å; F327-L367 HydrophobicContact CE2-CD1 3.64Å; F327-L367 HydrophobicContact CG-CD1 3.87Å; F327-L367 HydrophobicContact CZ-CD1 3.68Å; T365-L367 PolarHBondContact O-N 3.1Å; L367-R369 VanDerWaalsContact C-N 3.27Å; L367-R369 PolarHBondContact O-N 3.4Å; L367-L370 PolarHBondContact O-N 3.33Å; L367-F371 WeakPolarHBondContact O-CB 3.48Å; L367-F371 PolarHBondContact O-N 3.29Å
368	E	46	Very low	48.2	Very low	98 Å²	98	70.5 Å²	70.5	46%	0.458	38%	0.384	S	S	.	.	H	α-helix	trans	-57.8	-41.1	169.6	176.3	175.4	-165.2	0	0	111.5	S366 F371 W372	S366-E368 PolarHBondContact O-N 3.26Å; S366-E368 PolarHBondContact OG-N 3.49Å; E368-F371 PolarHBondContact O-N 3.09Å; E368-W372 VanDerWaalsContact CG-CD1 3.49Å; E368-W372 VanDerWaalsContact CG-NE1 3.3Å; E368-W372 PolarHBondContact O-N 2.67Å; E368-W372 PolarHBondContact OE1-NE1 2.93Å
369	R	49.2	Very low	47.7	Very low	153 Å²	153	69.5 Å²	69.5	58%	0.577	38%	0.377	S	S	*	.	H	α-helix	trans	-65.9	-45.2	176.9	179.7	176.5	176.1	178.2	1.9	111	T365 S366 L367 F371 W372 D373	T365-R369 HydrophobicContact CG2-CB 4.42Å; S366-R369 WeakPolarHBondContact O-CB 3.45Å; S366-R369 PolarHBondContact O-N 3.15Å; L367-R369 VanDerWaalsContact C-N 3.27Å; L367-R369 PolarHBondContact O-N 3.4Å; R369-F371 VanDerWaalsContact C-N 3.28Å; R369-F371 PolarHBondContact O-N 3.12Å; R369-W372 PolarHBondContact O-N 2.81Å; R369-D373 WeakPolarHBondContact CG-OD2 3.21Å; R369-D373 IonicContact NE-OD2 3.72Å; R369-D373 PolarHBondContact NE-OD2 3.11Å; R369-D373 WeakPolarHBondContact O-CB 3.39Å; R369-D373 VanDerWaalsContact O-CG 3.24Å; R369-D373 PolarHBondContact O-N 3.04Å
370	L	47.1	Very low	46.7	Very low	27 Å²	27	70.4 Å²	70.4	14%	0.141	38%	0.378	C	S	.	.	H	α-helix	trans	-59.5	-39.7	177.2	-57.6	175.5	0	0	0	111.7	A234 V350 V352 T365 S366 L367 W374	A234-L370 HydrophobicContact CB-CD1 3.89Å; V350-L370 HydrophobicContact CG1-CD2 3.59Å; V352-L370 HydrophobicContact CG2-CD1 4.25Å; V352-L370 HydrophobicContact CG2-CD2 4Å; T365-L370 HydrophobicContact CG2-CD1 4.47Å; T365-L370 HydrophobicContact CG2-CD2 3.7Å; T365-L370 HydrophobicContact CG2-CG 3.88Å; S366-L370 PolarHBondContact O-N 2.95Å; L367-L370 PolarHBondContact O-N 3.33Å; L370-W374 WeakPolarHBondContact O-CB 3.25Å; L370-W374 PolarHBondContact O-N 2.79Å
371	F	43.8	Very low	45.5	Very low	32 Å²	32	75.7 Å²	75.7	14%	0.14	40%	0.402	C	S	.	.	H	α-helix	trans	-68.2	-43.1	176.3	-179.3	-109.3	0	0	0	112.6	L367 E368 R369 W374 L375 A404 I405	L367-F371 WeakPolarHBondContact O-CB 3.48Å; L367-F371 PolarHBondContact O-N 3.29Å; E368-F371 PolarHBondContact O-N 3.09Å; R369-F371 VanDerWaalsContact C-N 3.28Å; R369-F371 PolarHBondContact O-N 3.12Å; F371-W374 HydrophobicContact CD2-CE3 4.18Å; F371-W374 HydrophobicContact CD2-CZ3 4.42Å; F371-W374 HydrophobicContact CE2-CE3 4.26Å; F371-W374 HydrophobicContact CE2-CZ3 4.08Å; F371-W374 PolarHBondContact O-N 3.1Å; F371-L375 HydrophobicContact CD1-CD1 3.89Å; F371-L375 HydrophobicContact CE1-CD1 3.39Å; F371-L375 HydrophobicContact CE1-CG 4.31Å; F371-L375 HydrophobicContact CE2-CD1 4.22Å; F371-L375 HydrophobicContact CE2-CG 4.38Å; F371-L375 HydrophobicContact CZ-CD1 3.59Å; F371-L375 HydrophobicContact CZ-CG 4.23Å; F371-L375 WeakPolarHBondContact O-CB 3.45Å; F371-L375 WeakPolarHBondContact O-CG 3.41Å; F371-L375 PolarHBondContact O-N 2.84Å; F371-A404 HydrophobicContact CE1-CB 4.27Å; F371-A404 HydrophobicContact CZ-CB 4.22Å; F371-I405 HydrophobicContact CE1-CG1 4.28Å; F371-I405 HydrophobicContact CE2-CG1 4.36Å; F371-I405 HydrophobicContact CZ-CG1 4.18Å
372	W	47.4	Very low	44.4	Very low	60 Å²	60	68.6 Å²	68.6	23%	0.227	38%	0.376	C	S	.	.	H	α-helix	trans	-67.8	-41.7	174.9	-69.3	130.3	0	0	0	112.5	E368 R369 W374 L375 N376	E368-W372 VanDerWaalsContact CG-CD1 3.49Å; E368-W372 VanDerWaalsContact CG-NE1 3.3Å; E368-W372 PolarHBondContact O-N 2.67Å; E368-W372 PolarHBondContact OE1-NE1 2.93Å; R369-W372 PolarHBondContact O-N 2.81Å; W372-W374 VanDerWaalsContact C-N 3.27Å; W372-W374 PolarHBondContact O-N 3.26Å; W372-L375 HydrophobicContact CE3-CB 4.46Å; W372-L375 HydrophobicContact CE3-CD1 3.68Å; W372-L375 HydrophobicContact CZ3-CD1 3.63Å; W372-L375 CarbonylContact O-C 3.59Å; W372-L375 PolarHBondContact O-N 3.48Å; W372-N376 VanDerWaalsContact O-CB 3.29Å; W372-N376 WeakPolarHBondContact O-CB 3.37Å; W372-N376 PolarHBondContact O-N 3.03Å; W372-N376 PolarHBondContact O-ND2 2.73Å
373	D	48	Very low	43.2	Very low	59 Å²	59	72.4 Å²	72.4	32%	0.316	39%	0.394	S	S	.	.	H	α-helix	trans	-63.4	-34.5	177.7	-69.3	-17.8	0	0	0	111.1	R369	R369-D373 WeakPolarHBondContact CG-OD2 3.21Å; R369-D373 IonicContact NE-OD2 3.72Å; R369-D373 PolarHBondContact NE-OD2 3.11Å; R369-D373 WeakPolarHBondContact O-CB 3.39Å; R369-D373 VanDerWaalsContact O-CG 3.24Å; R369-D373 PolarHBondContact O-N 3.04Å
374	W	43.7	Very low	41.9	Very low	95 Å²	95	69 Å²	69	36%	0.36	38%	0.383	S	S	.	.	H	α-helix	trans	-67.9	-46.9	169.8	178.8	75.1	0	0	0	112.8	L370 F371 W372 N376 V384	L370-W374 WeakPolarHBondContact O-CB 3.25Å; L370-W374 PolarHBondContact O-N 2.79Å; F371-W374 HydrophobicContact CD2-CE3 4.18Å; F371-W374 HydrophobicContact CD2-CZ3 4.42Å; F371-W374 HydrophobicContact CE2-CE3 4.26Å; F371-W374 HydrophobicContact CE2-CZ3 4.08Å; F371-W374 PolarHBondContact O-N 3.1Å; W372-W374 VanDerWaalsContact C-N 3.27Å; W372-W374 PolarHBondContact O-N 3.26Å; W374-N376 PolarHBondContact O-N 3.06Å; W374-V384 HydrophobicContact CH2-CG1 3.98Å; W374-V384 HydrophobicContact CH2-CG2 4.23Å; W374-V384 HydrophobicContact CZ2-CG1 4.14Å; W374-V384 HydrophobicContact CZ2-CG2 3.55Å
375	L	42.6	Very low	40.8	Very low	27 Å²	27	69.6 Å²	69.6	14%	0.141	39%	0.385	C	S	.	.	H	α-helix	trans	-67.2	-16.1	177.2	-75.9	-178.3	0	0	0	114.4	F371 W372 A387 N390	F371-L375 HydrophobicContact CD1-CD1 3.89Å; F371-L375 HydrophobicContact CE1-CD1 3.39Å; F371-L375 HydrophobicContact CE1-CG 4.31Å; F371-L375 HydrophobicContact CE2-CD1 4.22Å; F371-L375 HydrophobicContact CE2-CG 4.38Å; F371-L375 HydrophobicContact CZ-CD1 3.59Å; F371-L375 HydrophobicContact CZ-CG 4.23Å; F371-L375 WeakPolarHBondContact O-CB 3.45Å; F371-L375 WeakPolarHBondContact O-CG 3.41Å; F371-L375 PolarHBondContact O-N 2.84Å; W372-L375 HydrophobicContact CE3-CB 4.46Å; W372-L375 HydrophobicContact CE3-CD1 3.68Å; W372-L375 HydrophobicContact CZ3-CD1 3.63Å; W372-L375 CarbonylContact O-C 3.59Å; W372-L375 PolarHBondContact O-N 3.48Å; L375-A387 HydrophobicContact CD2-CB 3.59Å; L375-N390 VanDerWaalsContact O-CB 3.29Å; L375-N390 WeakPolarHBondContact O-CB 3.33Å; L375-N390 PolarHBondContact O-ND2 2.79Å; L375-N390 PolarHBondContact O-OD1 3.07Å
376	N	45	Very low	40.1	Very low	96 Å²	96	72.1 Å²	72.1	51%	0.513	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	6.7	-176.3	-73	-26.3	0	0	0	114	W372 W374	W372-N376 VanDerWaalsContact O-CB 3.29Å; W372-N376 WeakPolarHBondContact O-CB 3.37Å; W372-N376 PolarHBondContact O-N 3.03Å; W372-N376 PolarHBondContact O-ND2 2.73Å; W374-N376 PolarHBondContact O-N 3.06Å
377	G	36	Very low	39.3	Very low	40 Å²	40	70.5 Å²	70.5	41%	0.412	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	34.3	164.8	0	0	0	0	0	116.1	S379	G377-S379 PolarHBondContact O-N 3.38Å; G377-S379 VanDerWaalsContact O-N 3.12Å
378	G	34.3	Very low	38.7	Very low	45 Å²	45	76.2 Å²	76.2	46%	0.464	41%	0.407	S	S	.	.			trans	-63.5	107.7	175	0	0	0	0	0	113.4
379	S	35.4	Very low	38.3	Very low	62 Å²	62	77.2 Å²	77.2	43%	0.434	41%	0.41	S	S	.	.	S	Bend	trans	56.7	89.7	170.5	66.6	0	0	0	0	118.3	G377 D381	G377-S379 PolarHBondContact O-N 3.38Å; G377-S379 VanDerWaalsContact O-N 3.12Å; S379-D381 PolarHBondContact O-N 2.97Å
380	A	26.1	Very low	37.8	Very low	88 Å²	88	72.5 Å²	72.5	73%	0.727	40%	0.396	S	S	*	.	S	Bend	trans	54.7	-57.8	139.5	0	0	0	0	0	121.1	R382	A380-R382 VanDerWaalsContact C-N 3.34Å; A380-R382 PolarHBondContact O-N 3.3Å
381	D	32	Very low	37.3	Very low	154 Å²	154	76.3 Å²	76.3	82%	0.824	42%	0.416	S	S	*	.	S	Bend	trans	-95.7	30.8	-161.8	-57.2	-46.3	0	0	0	113.6	S379	S379-D381 PolarHBondContact O-N 2.97Å
382	R	31.6	Very low	37.1	Very low	84 Å²	84	79.3 Å²	79.3	32%	0.317	45%	0.447	S	S	.	.			trans	-139.2	82.8	-170.1	-72	-177.9	170.4	169.7	-3.3	112.5	S277 A380	S277-R382 PolarHBondContact OG-NH2 3.11Å; A380-R382 VanDerWaalsContact C-N 3.34Å; A380-R382 PolarHBondContact O-N 3.3Å
383	D	29.6	Very low	37	Very low	111 Å²	111	79.9 Å²	79.9	59%	0.594	46%	0.464	S	S	*	.			trans	-90	108.2	-175.9	-127.7	-7.4	0	0	0	112.2	V385 I386	D383-V385 VanDerWaalsContact C-CA 3.42Å; D383-V385 HydrophobicContact CB-CG1 4.5Å; D383-V385 WeakPolarHBondContact OD1-CA 3.31Å; D383-V385 WeakPolarHBondContact OD1-CG1 3.41Å; D383-V385 WeakPolarHBondContact OD2-CG1 3.45Å; D383-I386 WeakPolarHBondContact OD1-CG1 3.49Å; D383-I386 PolarHBondContact OD1-N 3.35Å
384	V	31.3	Very low	36.3	Very low	73 Å²	73	83.5 Å²	83.5	44%	0.442	47%	0.474	S	S	.	.	S	Bend	trans	-90.7	-1.1	177	172.1	0	0	0	0	114.9	W374	W374-V384 HydrophobicContact CH2-CG1 3.98Å; W374-V384 HydrophobicContact CH2-CG2 4.23Å; W374-V384 HydrophobicContact CZ2-CG1 4.14Å; W374-V384 HydrophobicContact CZ2-CG2 3.55Å
385	V	31.7	Very low	35.7	Very low	61 Å²	61	84.3 Å²	84.3	37%	0.37	49%	0.493	S	S	.	.	S	Bend	cis	-55.9	136	-21.6	-165.9	0	0	0	0	106.8	D383 A387 W388	D383-V385 VanDerWaalsContact C-CA 3.42Å; D383-V385 HydrophobicContact CB-CG1 4.5Å; D383-V385 WeakPolarHBondContact OD1-CA 3.31Å; D383-V385 WeakPolarHBondContact OD1-CG1 3.41Å; D383-V385 WeakPolarHBondContact OD2-CG1 3.45Å; V385-A387 PolarHBondContact O-N 3.07Å; V385-W388 HydrophobicContact CB-CB 4.48Å; V385-W388 HydrophobicContact CB-CD2 3.54Å; V385-W388 HydrophobicContact CB-CE3 3.9Å; V385-W388 HydrophobicContact CB-CG 3.82Å; V385-W388 HydrophobicContact CB-CH2 4.44Å; V385-W388 HydrophobicContact CB-CZ2 4.13Å; V385-W388 HydrophobicContact CB-CZ3 4.33Å; V385-W388 HydrophobicContact CG1-CD2 3.62Å; V385-W388 HydrophobicContact CG1-CE3 3.76Å; V385-W388 HydrophobicContact CG1-CG 4.39Å; V385-W388 HydrophobicContact CG1-CH2 3.44Å; V385-W388 VanDerWaalsContact CG1-CH2 3.44Å; V385-W388 HydrophobicContact CG1-CZ2 3.28Å; V385-W388 HydrophobicContact CG1-CZ3 3.68Å; V385-W388 WeakPolarHBondContact O-CA 3.35Å; V385-W388 WeakPolarHBondContact O-CB 3.36Å; V385-W388 PolarHBondContact O-N 2.84Å
386	I	38.7	Very low	35.2	Very low	71 Å²	71	90.8 Å²	90.8	36%	0.364	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-17.9	83.8	-154.8	-56.9	151.5	0	0	0	115.5	D383 W388 K389 N390	D383-I386 WeakPolarHBondContact OD1-CG1 3.49Å; D383-I386 PolarHBondContact OD1-N 3.35Å; I386-W388 VanDerWaalsContact C-N 3.27Å; I386-W388 HydrophobicContact CB-CE3 4.02Å; I386-W388 HydrophobicContact CB-CZ3 3.89Å; I386-W388 HydrophobicContact CD1-CZ3 4.3Å; I386-W388 HydrophobicContact CG1-CZ3 4.37Å; I386-W388 VanDerWaalsContact N-CE3 3.29Å; I386-W388 VanDerWaalsContact O-CA 3.31Å; I386-W388 WeakPolarHBondContact O-CA 3.39Å; I386-W388 PolarHBondContact O-N 3.39Å; I386-W388 VanDerWaalsContact O-N 3.14Å; I386-K389 VanDerWaalsContact O-CA 3.27Å; I386-K389 WeakPolarHBondContact O-CA 3.35Å; I386-N390 PolarHBondContact O-OD1 3.46Å
387	A	36.3	Very low	34.6	Very low	22 Å²	22	89.1 Å²	89.1	18%	0.182	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	39.2	42.7	-174.9	0	0	0	0	0	116.6	L375 V385 K389 N390	L375-A387 HydrophobicContact CD2-CB 3.59Å; V385-A387 PolarHBondContact O-N 3.07Å; A387-K389 CarbonylContact O-C 3.58Å; A387-K389 PolarHBondContact O-N 2.88Å; A387-N390 PolarHBondContact O-N 2.78Å
388	W	37.3	Very low	34.3	Very low	142 Å²	142	90.5 Å²	90.5	54%	0.538	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-44.2	84.2	-132.4	-136.5	-153	0	0	0	117.3	V385 I386	V385-W388 HydrophobicContact CB-CB 4.48Å; V385-W388 HydrophobicContact CB-CD2 3.54Å; V385-W388 HydrophobicContact CB-CE3 3.9Å; V385-W388 HydrophobicContact CB-CG 3.82Å; V385-W388 HydrophobicContact CB-CH2 4.44Å; V385-W388 HydrophobicContact CB-CZ2 4.13Å; V385-W388 HydrophobicContact CB-CZ3 4.33Å; V385-W388 HydrophobicContact CG1-CD2 3.62Å; V385-W388 HydrophobicContact CG1-CE3 3.76Å; V385-W388 HydrophobicContact CG1-CG 4.39Å; V385-W388 HydrophobicContact CG1-CH2 3.44Å; V385-W388 VanDerWaalsContact CG1-CH2 3.44Å; V385-W388 HydrophobicContact CG1-CZ2 3.28Å; V385-W388 HydrophobicContact CG1-CZ3 3.68Å; V385-W388 WeakPolarHBondContact O-CA 3.35Å; V385-W388 WeakPolarHBondContact O-CB 3.36Å; V385-W388 PolarHBondContact O-N 2.84Å; I386-W388 VanDerWaalsContact C-N 3.27Å; I386-W388 HydrophobicContact CB-CE3 4.02Å; I386-W388 HydrophobicContact CB-CZ3 3.89Å; I386-W388 HydrophobicContact CD1-CZ3 4.3Å; I386-W388 HydrophobicContact CG1-CZ3 4.37Å; I386-W388 VanDerWaalsContact N-CE3 3.29Å; I386-W388 VanDerWaalsContact O-CA 3.31Å; I386-W388 WeakPolarHBondContact O-CA 3.39Å; I386-W388 PolarHBondContact O-N 3.39Å; I386-W388 VanDerWaalsContact O-N 3.14Å
389	K	37.8	Very low	34.1	Very low	119 Å²	119	93 Å²	93	52%	0.517	55%	0.547	S	S	.	.	G	3₁₀ helix	cis	-135.8	54.4	23.4	-83	179.3	167.9	179.2	0	114.1	I386 A387 L391	I386-K389 VanDerWaalsContact O-CA 3.27Å; I386-K389 WeakPolarHBondContact O-CA 3.35Å; A387-K389 CarbonylContact O-C 3.58Å; A387-K389 PolarHBondContact O-N 2.88Å; K389-L391 VanDerWaalsContact C-N 3.25Å; K389-L391 HydrophobicContact CB-CB 4.2Å; K389-L391 WeakPolarHBondContact O-CB 3.29Å; K389-L391 WeakPolarHBondContact O-CD1 3.13Å
390	N	38.9	Very low	34.1	Very low	54 Å²	54	94.2 Å²	94.2	29%	0.289	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	22.4	-163.1	-43.5	-9	0	0	0	112.4	L375 I386 A387	L375-N390 VanDerWaalsContact O-CB 3.29Å; L375-N390 WeakPolarHBondContact O-CB 3.33Å; L375-N390 PolarHBondContact O-ND2 2.79Å; L375-N390 PolarHBondContact O-OD1 3.07Å; I386-N390 PolarHBondContact O-OD1 3.46Å; A387-N390 PolarHBondContact O-N 2.78Å
391	L	36.3	Very low	34.4	Very low	107 Å²	107	92.7 Å²	92.7	56%	0.56	53%	0.527	S	S	*	.			trans	-132.6	-120.2	-144.2	-128	98.2	0	0	0	108.2	K389 A393	K389-L391 VanDerWaalsContact C-N 3.25Å; K389-L391 HydrophobicContact CB-CB 4.2Å; K389-L391 WeakPolarHBondContact O-CB 3.29Å; K389-L391 WeakPolarHBondContact O-CD1 3.13Å; L391-A393 HydrophobicContact CD2-CB 4.05Å; L391-A393 HydrophobicContact CG-CB 4.34Å
392	A	40.1	Very low	34.6	Very low	96 Å²	96	86.9 Å²	86.9	79%	0.793	50%	0.496	S	S	*	.	S	Bend	cis	-61.2	68	-40.7	0	0	0	0	0	110.5
393	A	43.8	Very low	34.7	Very low	72 Å²	72	85.5 Å²	85.5	60%	0.595	50%	0.499	S	S	*	.			trans	67.7	82.1	178	0	0	0	0	0	114.5	L391 S395	L391-A393 HydrophobicContact CD2-CB 4.05Å; L391-A393 HydrophobicContact CG-CB 4.34Å; A393-S395 PolarHBondContact O-N 2.93Å
394	R	34.8	Very low	35	Very low	135 Å²	135	81.6 Å²	81.6	51%	0.509	48%	0.482	S	S	.	.			trans	-45.9	120.1	175.7	-59.3	-177.1	-168.1	-172.1	5.2	112.5
395	S	31.2	Very low	35.3	Very low	111 Å²	111	80.2 Å²	80.2	78%	0.776	47%	0.472	S	S	*	.	S	Bend	trans	-131.6	-41	150.9	64.8	0	0	0	0	111.8	A393	A393-S395 PolarHBondContact O-N 2.93Å
396	Q	31.2	Very low	35.5	Very low	163 Å²	163	79 Å²	79	76%	0.762	47%	0.465	S	S	*	.	S	Bend	trans	-107.4	-17.5	-177.9	-62	-168.5	3	0	0	115.7	G398 S399	Q396-G398 PolarHBondContact O-N 2.88Å; Q396-G398 VanDerWaalsContact O-N 3.11Å; Q396-S399 PolarHBondContact O-N 3.14Å; Q396-S399 PolarHBondContact O-OG 2.96Å
397	A	33.2	Very low	35.3	Very low	62 Å²	62	81.1 Å²	81.1	51%	0.512	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-60.2	-22.1	177.8	0	0	0	0	0	113.7	S399	A397-S399 PolarHBondContact O-N 3.06Å; A397-S399 VanDerWaalsContact O-N 3.15Å
398	G	29.1	Very low	35.2	Very low	68 Å²	68	81.5 Å²	81.5	70%	0.701	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-72.3	4.7	178.7	0	0	0	0	0	115.9	Q396	Q396-G398 PolarHBondContact O-N 2.88Å; Q396-G398 VanDerWaalsContact O-N 3.11Å
399	S	29.8	Very low	35.1	Very low	97 Å²	97	75.4 Å²	75.4	68%	0.678	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-94.5	-22.4	-179.6	60.6	0	0	0	0	114.6	Q396 A397	Q396-S399 PolarHBondContact O-N 3.14Å; Q396-S399 PolarHBondContact O-OG 2.96Å; A397-S399 PolarHBondContact O-N 3.06Å; A397-S399 VanDerWaalsContact O-N 3.15Å
400	K	35.5	Very low	34.8	Very low	89 Å²	89	73.7 Å²	73.7	39%	0.387	45%	0.452	S	S	.	.			trans	-148.9	95.9	179.3	-68.1	-173.4	-178.1	179.5	0	111	C224 L402 S403	C224-K400 PolarHBondContact SG-NZ 2.83Å; K400-L402 PolarHBondContact O-N 2.76Å; K400-L402 VanDerWaalsContact O-N 3.15Å; K400-S403 PolarHBondContact O-N 3.31Å; K400-S403 VanDerWaalsContact O-N 3.09Å
401	P	31.9	Very low	34.4	Very low	56 Å²	56	77.3 Å²	77.3	36%	0.364	47%	0.47	S	S	.	.	H	α-helix	trans	-54.7	-34.7	177.1	-26.9	35.1	0	0	0	113.2	S403 A404 I405	P401-S403 VanDerWaalsContact C-N 3.27Å; P401-S403 PolarHBondContact O-N 2.87Å; P401-A404 WeakPolarHBondContact O-CB 3.44Å; P401-A404 PolarHBondContact O-N 2.86Å; P401-A404 VanDerWaalsContact O-N 3.13Å; P401-I405 PolarHBondContact O-N 3.36Å
402	L	36.6	Very low	34.1	Very low	32 Å²	32	80 Å²	80	17%	0.168	48%	0.478	C	S	.	.	H	α-helix	trans	-59.5	-35.5	179.7	-147.2	121.6	0	0	0	113	I291 Q295 K400 A404 I405 T406	I291-L402 HydrophobicContact CG2-CD1 3.58Å; I291-L402 HydrophobicContact CG2-CD2 3.98Å; I291-L402 HydrophobicContact CG2-CG 4Å; Q295-L402 HydrophobicContact CB-CD2 4.09Å; Q295-L402 HydrophobicContact CG-CD2 4.15Å; K400-L402 PolarHBondContact O-N 2.76Å; K400-L402 VanDerWaalsContact O-N 3.15Å; L402-A404 VanDerWaalsContact C-N 3.3Å; L402-A404 PolarHBondContact O-N 3.35Å; L402-I405 PolarHBondContact O-N 3.4Å; L402-T406 WeakPolarHBondContact O-CB 3.37Å; L402-T406 PolarHBondContact O-N 2.89Å; L402-T406 PolarHBondContact O-OG1 3.46Å; L402-T406 VanDerWaalsContact O-OG1 3.12Å
403	S	34.2	Very low	33.6	Very low	54 Å²	54	78.8 Å²	78.8	38%	0.378	46%	0.461	S	S	.	.	H	α-helix	trans	-67.5	-29.7	179.3	-57.9	0	0	0	0	112.7	K400 P401 M407	K400-S403 PolarHBondContact O-N 3.31Å; K400-S403 VanDerWaalsContact O-N 3.09Å; P401-S403 VanDerWaalsContact C-N 3.27Å; P401-S403 PolarHBondContact O-N 2.87Å; S403-M407 WeakPolarHBondContact O-CE 3.31Å; S403-M407 PolarHBondContact O-N 3.02Å; S403-M407 VanDerWaalsContact O-N 3.11Å
404	A	35.1	Very low	32.7	Very low	29 Å²	29	82 Å²	82	24%	0.24	46%	0.457	C	S	.	.	H	α-helix	trans	-72.8	-42.8	173.3	0	0	0	0	0	111.6	F371 P401 L402 T406 M407 A408	F371-A404 HydrophobicContact CE1-CB 4.27Å; F371-A404 HydrophobicContact CZ-CB 4.22Å; P401-A404 WeakPolarHBondContact O-CB 3.44Å; P401-A404 PolarHBondContact O-N 2.86Å; P401-A404 VanDerWaalsContact O-N 3.13Å; L402-A404 VanDerWaalsContact C-N 3.3Å; L402-A404 PolarHBondContact O-N 3.35Å; A404-T406 VanDerWaalsContact C-N 3.27Å; A404-T406 PolarHBondContact O-N 3.26Å; A404-M407 PolarHBondContact O-N 3.25Å; A404-A408 PolarHBondContact O-N 3.4Å
405	I	36.8	Very low	32.4	Very low	44 Å²	44	85.9 Å²	85.9	23%	0.226	48%	0.478	C	S	.	.	H	α-helix	trans	-60.9	-39.6	172.9	-60.8	169.5	0	0	0	110.3	T288 F371 P401 L402 A408 A409	T288-I405 HydrophobicContact CG2-CG2 4.03Å; F371-I405 HydrophobicContact CE1-CG1 4.28Å; F371-I405 HydrophobicContact CE2-CG1 4.36Å; F371-I405 HydrophobicContact CZ-CG1 4.18Å; P401-I405 PolarHBondContact O-N 3.36Å; L402-I405 PolarHBondContact O-N 3.4Å; I405-A408 PolarHBondContact O-N 3.3Å; I405-A409 WeakPolarHBondContact O-CB 3.42Å; I405-A409 PolarHBondContact O-N 2.94Å
406	T	36.2	Very low	32.1	Very low	37 Å²	37	88 Å²	88	23%	0.227	47%	0.474	C	S	.	.	H	α-helix	trans	-60.4	-50	175.8	-74.6	0	0	0	0	112.7	F292 L402 A404 A408 A409 E410	F292-T406 HydrophobicContact CD1-CG2 4.38Å; F292-T406 WeakPolarHBondContact CD2-OG1 3.35Å; F292-T406 HydrophobicContact CE1-CG2 3.74Å; F292-T406 HydrophobicContact CE2-CG2 4.1Å; F292-T406 WeakPolarHBondContact CE2-OG1 3.37Å; F292-T406 VanDerWaalsContact CZ-CA 3.46Å; F292-T406 HydrophobicContact CZ-CG2 3.61Å; L402-T406 WeakPolarHBondContact O-CB 3.37Å; L402-T406 PolarHBondContact O-N 2.89Å; L402-T406 PolarHBondContact O-OG1 3.46Å; L402-T406 VanDerWaalsContact O-OG1 3.12Å; A404-T406 VanDerWaalsContact C-N 3.27Å; A404-T406 PolarHBondContact O-N 3.26Å; T406-A408 VanDerWaalsContact C-N 3.35Å; T406-A408 PolarHBondContact O-N 3.41Å; T406-A409 PolarHBondContact O-N 2.77Å; T406-E410 PolarHBondContact O-N 2.88Å
407	M	34.8	Very low	31.8	Very low	114 Å²	114	90.7 Å²	90.7	56%	0.562	48%	0.477	S	S	*	.	H	α-helix	trans	-63.1	-40.6	177.3	-76.6	-179.5	-77	0	0	111.9	S403 A404 E410 L411	S403-M407 WeakPolarHBondContact O-CE 3.31Å; S403-M407 PolarHBondContact O-N 3.02Å; S403-M407 VanDerWaalsContact O-N 3.11Å; A404-M407 PolarHBondContact O-N 3.25Å; M407-E410 PolarHBondContact O-N 3.32Å; M407-L411 WeakPolarHBondContact O-CB 3.4Å; M407-L411 WeakPolarHBondContact O-CD1 3.46Å; M407-L411 VanDerWaalsContact O-CG 3.25Å; M407-L411 WeakPolarHBondContact O-CG 3.39Å; M407-L411 PolarHBondContact O-N 3.04Å
408	A	35.4	Very low	31.4	Very low	30 Å²	30	92.7 Å²	92.7	25%	0.248	48%	0.484	C	S	.	.	H	α-helix	trans	-60	-47.5	175.8	0	0	0	0	0	111.9	A404 I405 T406 E410 L411 F412	A404-A408 PolarHBondContact O-N 3.4Å; I405-A408 PolarHBondContact O-N 3.3Å; T406-A408 VanDerWaalsContact C-N 3.35Å; T406-A408 PolarHBondContact O-N 3.41Å; A408-E410 VanDerWaalsContact C-N 3.33Å; A408-E410 PolarHBondContact O-N 2.97Å; A408-L411 PolarHBondContact O-N 3.26Å; A408-F412 WeakPolarHBondContact O-CD2 3.1Å; A408-F412 PolarHBondContact O-N 2.85Å
409	A	34.7	Very low	31.1	Very low	15 Å²	15	96 Å²	96	12%	0.124	48%	0.48	C	S	.	.	H	α-helix	trans	-66.3	-31.5	178.7	0	0	0	0	0	113.4	T288 F292 I405 T406 T413	T288-A409 HydrophobicContact CG2-CB 4.05Å; F292-A409 HydrophobicContact CZ-CB 4.14Å; I405-A409 WeakPolarHBondContact O-CB 3.42Å; I405-A409 PolarHBondContact O-N 2.94Å; T406-A409 PolarHBondContact O-N 2.77Å; A409-T413 WeakPolarHBondContact O-CG2 3.5Å; A409-T413 PolarHBondContact O-N 3.23Å; A409-T413 PolarHBondContact O-OG1 2.95Å
410	E	31.4	Very low	30.9	Very low	83 Å²	83	95.9 Å²	95.9	39%	0.388	48%	0.484	S	S	.	.	H	α-helix	trans	-73.9	-38.2	174.9	-166.8	169.2	-145.4	0	0	112.5	T406 M407 A408 F412 T413 R414	T406-E410 PolarHBondContact O-N 2.88Å; M407-E410 PolarHBondContact O-N 3.32Å; A408-E410 VanDerWaalsContact C-N 3.33Å; A408-E410 PolarHBondContact O-N 2.97Å; E410-F412 VanDerWaalsContact C-N 3.32Å; E410-F412 PolarHBondContact O-N 3.23Å; E410-T413 WeakPolarHBondContact CA-OG1 3.45Å; E410-T413 PolarHBondContact O-N 3.25Å; E410-T413 PolarHBondContact O-OG1 3.49Å; E410-R414 HydrophobicContact CG-CG 4.22Å; E410-R414 PolarHBondContact O-N 2.95Å; E410-R414 VanDerWaalsContact O-N 3.1Å; E410-R414 IonicContact OE1-CZ 3.18Å; E410-R414 IonicContact OE1-NE 2.81Å; E410-R414 PolarHBondContact OE1-NE 3.23Å; E410-R414 IonicContact OE1-NH2 2.66Å; E410-R414 PolarHBondContact OE1-NH2 2.91Å
411	L	30.8	Very low	30.4	Very low	130 Å²	130	99 Å²	99	68%	0.681	51%	0.505	S	S	*	.	H	α-helix	trans	-62.8	-36.7	172.2	-71.3	166	0	0	0	112.3	M407 A408	M407-L411 WeakPolarHBondContact O-CB 3.4Å; M407-L411 WeakPolarHBondContact O-CD1 3.46Å; M407-L411 VanDerWaalsContact O-CG 3.25Å; M407-L411 WeakPolarHBondContact O-CG 3.39Å; M407-L411 PolarHBondContact O-N 3.04Å; A408-L411 PolarHBondContact O-N 3.26Å
412	F	29.9	Very low	30.1	Very low	162 Å²	162	102 Å²	102	71%	0.711	52%	0.524	S	S	*	.	H	α-helix	trans	-73.7	-23.6	176.1	-96	-85.2	0	0	0	114.3	A408 E410	A408-F412 WeakPolarHBondContact O-CD2 3.1Å; A408-F412 PolarHBondContact O-N 2.85Å; E410-F412 VanDerWaalsContact C-N 3.32Å; E410-F412 PolarHBondContact O-N 3.23Å
413	T	29.4	Very low	29.5	Very low	72 Å²	72	106.7 Å²	106.7	44%	0.442	56%	0.559	S	S	.	*	H	α-helix	trans	-98	-24.2	-175.5	46.1	0	0	0	0	114	A285 A409 E410 K415	A285-T413 HydrophobicContact CB-CG2 3.75Å; A409-T413 WeakPolarHBondContact O-CG2 3.5Å; A409-T413 PolarHBondContact O-N 3.23Å; A409-T413 PolarHBondContact O-OG1 2.95Å; E410-T413 WeakPolarHBondContact CA-OG1 3.45Å; E410-T413 PolarHBondContact O-N 3.25Å; E410-T413 PolarHBondContact O-OG1 3.49Å; T413-K415 PolarHBondContact O-N 2.73Å
414	R	25	Very low	29.1	Very low	139 Å²	139	107.5 Å²	107.5	53%	0.525	58%	0.576	S	S	.	*			trans	-89.2	103.9	177.3	-68.6	-177.2	179.7	-132.4	10	111.3	E410 F416	E410-R414 HydrophobicContact CG-CG 4.22Å; E410-R414 PolarHBondContact O-N 2.95Å; E410-R414 VanDerWaalsContact O-N 3.1Å; E410-R414 IonicContact OE1-CZ 3.18Å; E410-R414 IonicContact OE1-NE 2.81Å; E410-R414 PolarHBondContact OE1-NE 3.23Å; E410-R414 IonicContact OE1-NH2 2.66Å; E410-R414 PolarHBondContact OE1-NH2 2.91Å; R414-F416 HydrophobicContact CB-CB 4.33Å; R414-F416 HydrophobicContact CB-CD2 4.15Å; R414-F416 PolarHBondContact O-N 2.75Å
415	K	27.9	Very low	28.9	Very low	216 Å²	216	112 Å²	112	94%	0.939	61%	0.605	S	S	*	*			trans	-68.9	43	165.7	-73.1	-173	174.7	179.7	0	113.2	T413 W417	T413-K415 PolarHBondContact O-N 2.73Å; K415-W417 PolarHBondContact O-N 3.17Å
416	F	25.1	Very low	28.4	Very low	156 Å²	156	115 Å²	115	68%	0.684	64%	0.637	S	S	*	*			trans	-91.1	72	-177	-100.5	-89.8	0	0	0	111.6	R414	R414-F416 HydrophobicContact CB-CB 4.33Å; R414-F416 HydrophobicContact CB-CD2 4.15Å; R414-F416 PolarHBondContact O-N 2.75Å
417	W	25.9	Very low	27.9	Very low	219 Å²	219	118.5 Å²	118.5	83%	0.83	66%	0.663	S	S	*	*			trans	-133.5	86.8	163.4	-88.4	-53.7	0	0	0	112.7	K415	K415-W417 PolarHBondContact O-N 3.17Å
418	P	22.9	Very low	27.6	Very low	104 Å²	104	119.6 Å²	119.6	68%	0.675	67%	0.671	S	S	*	*			trans	-67.9	128.4	139.3	31.9	-30.2	0	0	0	109
419	K	24.7	Very low	27.1	Very low	139 Å²	139	125.1 Å²	125.1	60%	0.604	70%	0.704	S	S	*	*	S	Bend	trans	33.9	109.4	149.7	-56.8	-178.9	-175.7	-179.3	0	118	L421 M881	K419-L421 PolarHBondContact O-N 2.95Å; K419-M881 HydrophobicContact CD-SD 4.39Å; K419-M881 PolarHBondContact NZ-SD 3.27Å
420	A	24.2	Very low	26.7	Very low	93 Å²	93	127.3 Å²	127.3	77%	0.769	73%	0.729	S	S	*	*			trans	26	94.7	145	0	0	0	0	0	117.5	P422	A420-P422 VanDerWaalsContact O-CD 3.31Å; A420-P422 WeakPolarHBondContact O-CD 3.32Å
421	L	26.2	Very low	26.4	Very low	156 Å²	156	129.1 Å²	129.1	82%	0.817	75%	0.745	S	S	*	*			trans	-63.4	121.2	160.3	-81	168.7	0	0	0	109.4	K419	K419-L421 PolarHBondContact O-N 2.95Å
422	P	25.7	Very low	26.3	Very low	118 Å²	118	128.9 Å²	128.9	77%	0.766	75%	0.749	S	S	*	*			trans	-65.7	142.2	174.9	-19.6	33.2	0	0	0	111	A420 G424	A420-P422 VanDerWaalsContact O-CD 3.31Å; A420-P422 WeakPolarHBondContact O-CD 3.32Å; P422-G424 PolarHBondContact O-N 3.31Å
423	S	23.1	Very low	26.2	Very low	131 Å²	131	124.3 Å²	124.3	92%	0.916	73%	0.732	S	S	*	*			trans	-71.4	86.2	178.3	50.9	0	0	0	0	111.9
424	G	26.6	Very low	26.1	Very low	70 Å²	70	125.4 Å²	125.4	72%	0.722	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-90.8	146.8	170.8	0	0	0	0	0	112.8	P422	P422-G424 PolarHBondContact O-N 3.31Å
425	S	30.3	Very low	26.2	Very low	123 Å²	123	122.4 Å²	122.4	86%	0.86	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-68.9	144.4	-174.7	53	0	0	0	0	114.1
426	A	25.9	Very low	26.3	Very low	108 Å²	108	116.5 Å²	116.5	89%	0.893	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-79.1	129.9	-177	0	0	0	0	0	114.2
427	S	26.7	Very low	26.3	Very low	110 Å²	110	117.2 Å²	117.2	77%	0.769	71%	0.711	S	S	*	*			trans	-154.2	130.4	154.6	57.6	0	0	0	0	109.5
428	D	28.5	Very low	26.4	Very low	138 Å²	138	109.7 Å²	109.7	74%	0.738	70%	0.695	S	S	*	*			trans	64.2	86.9	177.4	-144.3	-20.9	0	0	0	117.1	G430	D428-G430 PolarHBondContact O-N 2.89Å; D428-G430 VanDerWaalsContact O-N 3.16Å
429	P	24.7	Very low	26.6	Very low	145 Å²	145	108.3 Å²	108.3	94%	0.942	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	17.6	-176.6	36	-37.3	0	0	0	114.3
430	G	25.1	Very low	26.8	Very low	62 Å²	62	109.8 Å²	109.8	64%	0.639	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-22.3	-170	0	0	0	0	0	116.9	D428	D428-G430 PolarHBondContact O-N 2.89Å; D428-G430 VanDerWaalsContact O-N 3.16Å
431	V	25.6	Very low	27	Very low	121 Å²	121	113.2 Å²	113.2	73%	0.733	70%	0.697	S	S	*	*			trans	-140.5	115.9	-170.9	-176.3	0	0	0	0	111.4	D433	V431-D433 PolarHBondContact O-N 3.38Å
432	V	28.6	Very low	26.9	Very low	125 Å²	125	109.1 Å²	109.1	76%	0.758	68%	0.681	S	S	*	*			trans	-88.1	92.5	167.6	-177.8	0	0	0	0	108.5	L434	V432-L434 HydrophobicContact CG1-CD2 4.31Å; V432-L434 HydrophobicContact CG1-CG 4.39Å; V432-L434 PolarHBondContact O-N 2.88Å
433	D	28	Very low	26.9	Very low	66 Å²	66	107.9 Å²	107.9	35%	0.353	68%	0.681	S	S	.	*			trans	-72.4	94.5	173.2	174.9	39	0	0	0	111	V431 N435 N436	V431-D433 PolarHBondContact O-N 3.38Å; D433-N435 PolarHBondContact O-N 3.44Å; D433-N435 VanDerWaalsContact OD1-CB 3.27Å; D433-N435 WeakPolarHBondContact OD1-CB 3.24Å; D433-N435 PolarHBondContact OD1-N 3.49Å; D433-N435 VanDerWaalsContact OD1-N 3.09Å; D433-N435 PolarHBondContact OD1-ND2 2.84Å; D433-N436 PolarHBondContact O-N 2.62Å; D433-N436 PolarHBondContact OD2-N 2.8Å; D433-N436 PolarHBondContact OD2-ND2 2.88Å
434	L	28.3	Very low	26.9	Very low	95 Å²	95	107.9 Å²	107.9	50%	0.497	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.9	-12.8	175.9	-74.1	171.8	0	0	0	113.5	V432 N436 F437 A438	V432-L434 HydrophobicContact CG1-CD2 4.31Å; V432-L434 HydrophobicContact CG1-CG 4.39Å; V432-L434 PolarHBondContact O-N 2.88Å; L434-N436 VanDerWaalsContact C-N 3.35Å; L434-F437 HydrophobicContact CD2-CB 4.17Å; L434-F437 WeakPolarHBondContact O-CB 3.42Å; L434-F437 PolarHBondContact O-N 2.57Å; L434-F437 VanDerWaalsContact O-N 3.08Å; L434-A438 PolarHBondContact O-N 3.18Å
435	N	26.7	Very low	26.9	Very low	75 Å²	75	110.3 Å²	110.3	40%	0.401	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.2	-43.9	172.3	-60.7	-73.3	0	0	0	110.2	D433 F437 A438 T439	D433-N435 PolarHBondContact O-N 3.44Å; D433-N435 VanDerWaalsContact OD1-CB 3.27Å; D433-N435 WeakPolarHBondContact OD1-CB 3.24Å; D433-N435 PolarHBondContact OD1-N 3.49Å; D433-N435 VanDerWaalsContact OD1-N 3.09Å; D433-N435 PolarHBondContact OD1-ND2 2.84Å; N435-F437 PolarHBondContact O-N 3.02Å; N435-F437 VanDerWaalsContact O-N 3.1Å; N435-A438 PolarHBondContact O-N 2.92Å; N435-T439 HydrophobicContact CB-CG2 4.49Å; N435-T439 WeakPolarHBondContact O-CB 3.34Å; N435-T439 WeakPolarHBondContact O-CG2 3.29Å; N435-T439 PolarHBondContact O-N 3.18Å; N435-T439 PolarHBondContact O-OG1 3.01Å
436	N	28.7	Very low	26.6	Very low	92 Å²	92	112.5 Å²	112.5	49%	0.492	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.8	-18.9	173	-90.9	-83.6	0	0	0	114.4	D433 L434	D433-N436 PolarHBondContact O-N 2.62Å; D433-N436 PolarHBondContact OD2-N 2.8Å; D433-N436 PolarHBondContact OD2-ND2 2.88Å; L434-N436 VanDerWaalsContact C-N 3.35Å
437	F	26.1	Very low	26.5	Very low	172 Å²	172	113.8 Å²	113.8	75%	0.754	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-10.4	174.5	-130.2	-83.1	0	0	0	113.4	L434 N435	L434-F437 HydrophobicContact CD2-CB 4.17Å; L434-F437 WeakPolarHBondContact O-CB 3.42Å; L434-F437 PolarHBondContact O-N 2.57Å; L434-F437 VanDerWaalsContact O-N 3.08Å; N435-F437 PolarHBondContact O-N 3.02Å; N435-F437 VanDerWaalsContact O-N 3.1Å
438	A	26.8	Very low	26.3	Very low	61 Å²	61	115.7 Å²	115.7	50%	0.504	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.2	-25.4	-177.5	0	0	0	0	0	113.9	L434 N435	L434-A438 PolarHBondContact O-N 3.18Å; N435-A438 PolarHBondContact O-N 2.92Å
439	T	27.9	Very low	26.1	Very low	75 Å²	75	116.3 Å²	116.3	46%	0.46	67%	0.668	S	S	.	*	S	Bend	trans	-95.6	-5.9	-173.4	61.2	0	0	0	0	114.9	N435 S442	N435-T439 HydrophobicContact CB-CG2 4.49Å; N435-T439 WeakPolarHBondContact O-CB 3.34Å; N435-T439 WeakPolarHBondContact O-CG2 3.29Å; N435-T439 PolarHBondContact O-N 3.18Å; N435-T439 PolarHBondContact O-OG1 3.01Å; T439-S442 VanDerWaalsContact CA-OG 3.28Å; T439-S442 WeakPolarHBondContact CA-OG 3.18Å; T439-S442 PolarHBondContact O-N 3.24Å; T439-S442 PolarHBondContact O-OG 3.37Å
440	K	28	Very low	26.1	Very low	169 Å²	169	114.3 Å²	114.3	74%	0.735	66%	0.657	S	S	*	*	S	Bend	trans	-82.4	-14.6	174.4	-77.3	-173.7	176	176.9	0	114.7
441	D	29.5	Very low	26.1	Very low	166 Å²	166	116.7 Å²	116.7	89%	0.888	66%	0.661	S	S	*	*	S	Bend	trans	-98.3	0.6	165.7	-78.3	-30.4	0	0	0	112.7	A443	D441-A443 PolarHBondContact O-N 3.17Å
442	S	23.6	Very low	26.1	Very low	69 Å²	69	116.2 Å²	116.2	48%	0.483	66%	0.66	S	S	.	*			trans	-92.8	62.1	179.8	73.1	0	0	0	0	112.6	T439 T444	T439-S442 VanDerWaalsContact CA-OG 3.28Å; T439-S442 WeakPolarHBondContact CA-OG 3.18Å; T439-S442 PolarHBondContact O-N 3.24Å; T439-S442 PolarHBondContact O-OG 3.37Å; S442-T444 PolarHBondContact O-N 2.96Å
443	A	26.2	Very low	26.2	Very low	92 Å²	92	119.2 Å²	119.2	76%	0.76	67%	0.666	S	S	*	*			trans	-76.8	94.8	167.1	0	0	0	0	0	109.9	D441 V445	D441-A443 PolarHBondContact O-N 3.17Å; A443-V445 PolarHBondContact O-N 2.85Å
444	T	23.5	Very low	26.3	Very low	132 Å²	132	122.7 Å²	122.7	81%	0.81	69%	0.685	S	S	*	*			trans	-67.7	109.6	170	48.3	0	0	0	0	110	S442	S442-T444 PolarHBondContact O-N 2.96Å
445	V	25.5	Very low	26.4	Very low	120 Å²	120	121.4 Å²	121.4	73%	0.727	69%	0.688	S	S	*	*			trans	-119.9	134.6	164.8	-175.5	0	0	0	0	107.1	A443	A443-V445 PolarHBondContact O-N 2.85Å
446	H	25.2	Very low	26.9	Very low	169 Å²	169	124.9 Å²	124.9	78%	0.782	71%	0.706	S	S	*	*			trans	-71.5	170.2	-179	-73.3	-98.4	0	0	0	111.6
447	D	22.7	Very low	27.9	Very low	136 Å²	136	125 Å²	125	73%	0.727	71%	0.71	S	S	*	*	S	Bend	trans	-56.5	156	158.7	-62.9	-74	0	0	0	111.1
448	D	23	Very low	29.3	Very low	149 Å²	149	120.2 Å²	120.2	80%	0.797	70%	0.695	S	S	*	*			trans	68.7	149.7	-162.3	-63.5	-35.9	0	0	0	115.6
449	I	25.1	Very low	31.5	Very low	152 Å²	152	120.8 Å²	120.8	78%	0.779	69%	0.687	S	S	*	*	S	Bend	trans	88.1	106	-178.9	-50.7	165.3	0	0	0	116
450	S	24.6	Very low	33.8	Very low	103 Å²	103	117.7 Å²	117.7	72%	0.72	67%	0.668	S	S	*	*			trans	40	136	147.3	-55.2	0	0	0	0	122.4
451	P	24.9	Very low	36.3	Very low	112 Å²	112	112.3 Å²	112.3	73%	0.727	65%	0.649	S	S	*	*			trans	-65.8	144.6	172.7	30.4	-35.5	0	0	0	111.9	E453	P451-E453 PolarHBondContact O-N 2.68Å
452	P	24.7	Very low	38.7	Very low	110 Å²	110	104.6 Å²	104.6	71%	0.714	61%	0.608	S	S	*	*			trans	-71.7	116.8	-177	28	-34.5	0	0	0	111.9	N454	P452-N454 PolarHBondContact O-N 2.92Å
453	E	31.4	Very low	41.2	Very low	189 Å²	189	105.4 Å²	105.4	88%	0.883	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-10.8	-171.8	-61.7	-178.1	122.9	0	0	115.4	P451	P451-E453 PolarHBondContact O-N 2.68Å
454	N	29.2	Very low	43.2	Very low	138 Å²	138	106.4 Å²	106.4	74%	0.738	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	23.4	-170.8	-70.5	-72	0	0	0	114.7	P452 N456	P452-N454 PolarHBondContact O-N 2.92Å; N454-N456 PolarHBondContact O-N 3.26Å; N454-N456 VanDerWaalsContact O-N 3.12Å
455	A	31.4	Very low	45.2	Very low	68 Å²	68	100.6 Å²	100.6	56%	0.562	56%	0.555	S	S	*	*	S	Bend	trans	-76.9	89.6	162.9	0	0	0	0	0	109.2	V457	A455-V457 PolarHBondContact O-N 2.92Å
456	N	36.5	Very low	47	Very low	148 Å²	148	100.8 Å²	100.8	79%	0.791	55%	0.548	S	S	*	.			trans	-51	83.3	-170.8	-72.3	-11.2	0	0	0	115.3	N454 T458	N454-N456 PolarHBondContact O-N 3.26Å; N454-N456 VanDerWaalsContact O-N 3.12Å; N456-T458 PolarHBondContact O-N 3.28Å
457	V	50.6	Low	48.7	Very low	94 Å²	94	97.1 Å²	97.1	57%	0.57	53%	0.533	S	S	*	.			trans	-83.1	100.8	160.1	-176.3	0	0	0	0	106.5	A455 E459 L593	A455-V457 PolarHBondContact O-N 2.92Å; V457-E459 PolarHBondContact O-N 2.94Å; V457-L593 HydrophobicContact CG1-CB 4.13Å; V457-L593 HydrophobicContact CG1-CD2 4Å; V457-L593 HydrophobicContact CG1-CG 4.48Å
458	T	55.8	Low	50.5	Low	72 Å²	72	97.7 Å²	97.7	44%	0.442	53%	0.531	S	S	.	.			trans	-59.8	113.8	175.5	-50.9	0	0	0	0	109.5	N456 H460 P508	N456-T458 PolarHBondContact O-N 3.28Å; T458-H460 WeakPolarHBondContact CG2-NE2 3.38Å; T458-H460 PolarHBondContact O-CD2 3.39Å; T458-H460 VanDerWaalsContact O-CD2 3.23Å; T458-P508 HydrophobicContact CG2-CG 3.34Å
459	E	72.2	Confident	52.9	Low	73 Å²	73	93 Å²	93	34%	0.341	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.5	170.9	-176.1	155.2	-147.5	0	0	108.6	V457 R521 S591 L593	V457-E459 PolarHBondContact O-N 2.94Å; E459-R521 WeakPolarHBondContact OE1-CD 3.15Å; E459-R521 IonicContact OE1-CZ 3.55Å; E459-R521 IonicContact OE1-NE 2.63Å; E459-R521 IonicContact OE1-NH1 3.08Å; E459-R521 PolarHBondContact OE1-NH1 3.45Å; E459-R521 IonicContact OE2-NH1 2.7Å; E459-R521 PolarHBondContact OE2-NH1 3.4Å; E459-R521 VanDerWaalsContact OE2-NH1 3.08Å; E459-S591 WeakPolarHBondContact OE1-CB 3.39Å; E459-S591 PolarHBondContact OE1-OG 3.04Å; E459-L593 HydrophobicContact CB-CD2 3.71Å; E459-L593 HydrophobicContact CG-CD2 3.82Å
460	H	76.1	Confident	54.9	Low	10 Å²	10	91 Å²	91	5%	0.046	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.7	179	-64	-105.6	0	0	0	108.1	T458 W506 P508 T509 L510 S591 M592 I594	T458-H460 WeakPolarHBondContact CG2-NE2 3.38Å; T458-H460 PolarHBondContact O-CD2 3.39Å; T458-H460 VanDerWaalsContact O-CD2 3.23Å; H460-W506 HydrophobicContact CB-CE3 4.28Å; H460-W506 WeakPolarHBondContact O-CZ3 3.46Å; H460-P508 PolarHBondContact ND1-O 3.27Å; H460-T509 PolarHBondContact CE1-O 3.28Å; H460-L510 HydrophobicContact CB-CD2 4.09Å; H460-S591 CarbonylContact O-C 3.5Å; H460-S591 WeakPolarHBondContact O-CA 3.26Å; H460-M592 HydrophobicContact CB-CG 3.74Å; H460-M592 PolarHBondContact N-O 3.25Å; H460-M592 PolarHBondContact O-N 2.7Å; H460-I594 VanDerWaalsContact NE2-CD1 3.31Å; H460-I594 WeakPolarHBondContact NE2-CD1 3.5Å
461	V	80.4	Confident	57.3	Low	56 Å²	56	91.7 Å²	91.7	34%	0.339	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	146.7	178.4	-174.5	0	0	0	0	108.8	K463 W506 H507	V461-K463 PolarHBondContact O-N 3.07Å; V461-W506 CarbonylContact O-C 3.52Å; V461-W506 WeakPolarHBondContact O-CA 3.45Å; V461-H507 PolarHBondContact N-O 3.21Å; V461-H507 PolarHBondContact O-N 2.72Å
462	V	79.8	Confident	59.8	Low	5 Å²	5	88 Å²	88	3%	0.03	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	120.9	173.1	172.7	0	0	0	0	109.8	K464 L475 F493 F505 W506 T590	V462-K464 PolarHBondContact O-N 3.02Å; V462-L475 HydrophobicContact CB-CD1 4.35Å; V462-L475 HydrophobicContact CG1-CD1 4.26Å; V462-L475 HydrophobicContact CG1-CD2 4.33Å; V462-L475 HydrophobicContact CG2-CD1 3.94Å; V462-F493 HydrophobicContact CG1-CE1 3.61Å; V462-F493 HydrophobicContact CG1-CE2 4.47Å; V462-F493 HydrophobicContact CG1-CZ 3.34Å; V462-F505 CarbonylContact C-O 3.54Å; V462-W506 HydrophobicContact CG2-CD2 4.17Å; V462-W506 HydrophobicContact CG2-CE3 3.82Å; V462-W506 HydrophobicContact CG2-CH2 3.43Å; V462-W506 VanDerWaalsContact CG2-CH2 3.43Å; V462-W506 HydrophobicContact CG2-CZ2 3.77Å; V462-W506 HydrophobicContact CG2-CZ3 3.45Å; V462-W506 VanDerWaalsContact CG2-CZ3 3.45Å; V462-T590 HydrophobicContact CG2-CG2 4.26Å; V462-T590 PolarHBondContact N-O 3.07Å; V462-T590 VanDerWaalsContact N-O 3.16Å
463	K	75.5	Confident	62.4	Low	85 Å²	85	83.5 Å²	83.5	37%	0.37	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-67.5	119.6	176.6	-176.3	-173.5	173.8	-172.1	0	108	V461 E466 F505 H507	V461-K463 PolarHBondContact O-N 3.07Å; K463-E466 WeakPolarHBondContact CE-OE1 3.35Å; K463-E466 IonicContact NZ-OE1 3.69Å; K463-E466 PolarHBondContact NZ-OE1 2.86Å; K463-F505 HydrophobicContact CB-CB 4.08Å; K463-F505 HydrophobicContact CD-CB 4.36Å; K463-F505 PolarHBondContact N-O 3.08Å; K463-H507 HydrophobicContact CB-CB 4.2Å
464	K	69.8	Low	64.9	Low	113 Å²	113	75.1 Å²	75.1	49%	0.491	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-51	127.2	174.8	-174.6	166.3	-176.5	165.1	0	109.5	V462 E466 R470	V462-K464 PolarHBondContact O-N 3.02Å; K464-E466 PolarHBondContact O-N 2.8Å; K464-R470 HydrophobicContact CD-CB 4.46Å; K464-R470 WeakPolarHBondContact CE-O 3.39Å; K464-R470 HydrophobicContact CG-CB 4.45Å
465	P	63.9	Low	67.6	Low	11 Å²	11	68.6 Å²	68.6	7%	0.071	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-60.6	138.3	-178.2	23.1	-31.6	0	0	0	109.7	I467 R470 W473 F493	P465-I467 PolarHBondContact O-N 2.92Å; P465-R470 WeakPolarHBondContact O-CD 3.49Å; P465-R470 WeakPolarHBondContact O-CG 3.39Å; P465-W473 HydrophobicContact CG-CB 3.68Å; P465-W473 HydrophobicContact CG-CG 3.79Å; P465-F493 HydrophobicContact CB-CD2 4.48Å; P465-F493 HydrophobicContact CB-CE2 4.22Å; P465-F493 HydrophobicContact CG-CE1 4.42Å; P465-F493 HydrophobicContact CG-CE2 4.33Å; P465-F493 HydrophobicContact CG-CZ 4.26Å
466	E	63.4	Low	70.2	Confident	124 Å²	124	65.8 Å²	65.8	58%	0.579	33%	0.33	S	S	*	.	S	Bend	trans	-75.1	-19.1	-179.4	-72	173.6	-174.2	0	0	111.9	K463 K464 E468 R470	K463-E466 WeakPolarHBondContact CE-OE1 3.35Å; K463-E466 IonicContact NZ-OE1 3.69Å; K463-E466 PolarHBondContact NZ-OE1 2.86Å; K464-E466 PolarHBondContact O-N 2.8Å; E466-E468 PolarHBondContact O-N 3.45Å; E466-R470 PolarHBondContact O-NE 3.02Å; E466-R470 PolarHBondContact O-NH2 2.97Å
467	I	61.2	Low	72.7	Confident	91 Å²	91	59 Å²	59	47%	0.467	29%	0.294	S	S	.	.	S	Bend	trans	-63.2	120.4	176.7	-47.2	173.9	0	0	0	110.6	P465 R470 W473	P465-I467 PolarHBondContact O-N 2.92Å; I467-R470 WeakPolarHBondContact O-CG 3.34Å; I467-W473 HydrophobicContact CB-CZ2 4.26Å; I467-W473 HydrophobicContact CD1-CZ2 4.09Å; I467-W473 HydrophobicContact CG2-CZ2 3.91Å; I467-W473 PolarHBondContact O-NE1 3.11Å
468	E	62.1	Low	74.5	Confident	149 Å²	149	54.9 Å²	54.9	70%	0.696	27%	0.27	S	S	*	.	S	Bend	trans	-83	148.9	172.2	-57.6	-159.1	149.3	0	0	111.5	E466 R470	E466-E468 PolarHBondContact O-N 3.45Å; E468-R470 HydrophobicContact CG-CG 4.2Å
469	P	72.3	Confident	75.9	Confident	50 Å²	50	57.6 Å²	57.6	33%	0.325	28%	0.275	S	S	.	.	P	Polyproline II helix	cis	-80	121.7	-1	-16.1	34.5	0	0	0	112.2	D471 Q472 W473	P469-D471 VanDerWaalsContact C-OD1 3.25Å; P469-D471 WeakPolarHBondContact CB-OD1 3.05Å; P469-D471 PolarHBondContact O-N 2.84Å; P469-D471 VanDerWaalsContact O-N 3.1Å; P469-Q472 HydrophobicContact CB-CG 4.42Å; P469-Q472 VanDerWaalsContact CB-NE2 3.32Å; P469-Q472 PolarHBondContact O-N 3.38Å; P469-Q472 VanDerWaalsContact O-N 3.14Å; P469-W473 VanDerWaalsContact O-CD1 3.25Å
470	R	66.6	Low	76.5	Confident	111 Å²	111	56 Å²	56	42%	0.419	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-2.4	-170.2	-52	-179.3	177.2	166.2	-3	114.5	K464 P465 E466 I467 E468	K464-R470 HydrophobicContact CD-CB 4.46Å; K464-R470 WeakPolarHBondContact CE-O 3.39Å; K464-R470 HydrophobicContact CG-CB 4.45Å; P465-R470 WeakPolarHBondContact O-CD 3.49Å; P465-R470 WeakPolarHBondContact O-CG 3.39Å; E466-R470 PolarHBondContact O-NE 3.02Å; E466-R470 PolarHBondContact O-NH2 2.97Å; I467-R470 WeakPolarHBondContact O-CG 3.34Å; E468-R470 HydrophobicContact CG-CG 4.2Å
471	D	74.9	Confident	76.7	Confident	116 Å²	116	58.5 Å²	58.5	62%	0.62	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-22.8	175.3	53.7	-59.8	0	0	0	112.6	P469	P469-D471 VanDerWaalsContact C-OD1 3.25Å; P469-D471 WeakPolarHBondContact CB-OD1 3.05Å; P469-D471 PolarHBondContact O-N 2.84Å; P469-D471 VanDerWaalsContact O-N 3.1Å
472	Q	78	Confident	76.3	Confident	34 Å²	34	62.7 Å²	62.7	16%	0.159	31%	0.305	C	S	.	.	S	Bend	trans	-90.7	1.6	-177.9	-74.2	154.2	44.5	0	0	113.7	P469 N495 E496 R497	P469-Q472 HydrophobicContact CB-CG 4.42Å; P469-Q472 VanDerWaalsContact CB-NE2 3.32Å; P469-Q472 PolarHBondContact O-N 3.38Å; P469-Q472 VanDerWaalsContact O-N 3.14Å; Q472-N495 CarbonylContact O-C 3.56Å; Q472-N495 WeakPolarHBondContact O-CA 3.48Å; Q472-E496 PolarHBondContact O-N 2.87Å; Q472-R497 HydrophobicContact CG-CB 4.43Å
473	W	78.9	Confident	76.1	Confident	17 Å²	17	71 Å²	71	6%	0.064	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.4	-178.4	-67.1	97.9	0	0	0	112.2	P465 I467 P469 F493 L494 N495 D500 A502	P465-W473 HydrophobicContact CG-CB 3.68Å; P465-W473 HydrophobicContact CG-CG 3.79Å; I467-W473 HydrophobicContact CB-CZ2 4.26Å; I467-W473 HydrophobicContact CD1-CZ2 4.09Å; I467-W473 HydrophobicContact CG2-CZ2 3.91Å; I467-W473 PolarHBondContact O-NE1 3.11Å; P469-W473 VanDerWaalsContact O-CD1 3.25Å; W473-F493 HydrophobicContact CE3-CB 3.74Å; W473-F493 HydrophobicContact CZ3-CB 4.25Å; W473-L494 WeakPolarHBondContact CA-O 3.33Å; W473-L494 VanDerWaalsContact CE3-C 3.48Å; W473-N495 HydrophobicContact CD2-CB 4.04Å; W473-N495 HydrophobicContact CE3-CB 3.81Å; W473-N495 HydrophobicContact CH2-CB 3.85Å; W473-N495 HydrophobicContact CZ2-CB 4.02Å; W473-N495 HydrophobicContact CZ3-CB 3.73Å; W473-D500 HydrophobicContact CH2-CB 3.9Å; W473-D500 HydrophobicContact CZ3-CB 4.43Å; W473-A502 HydrophobicContact CE3-CB 4.41Å; W473-A502 HydrophobicContact CH2-CB 3.9Å; W473-A502 HydrophobicContact CZ3-CB 3.65Å
474	V	84.2	Confident	75.7	Confident	13 Å²	13	68.6 Å²	68.6	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.7	-177.6	-69.4	0	0	0	0	110.8	F493 L494 E496 L584	V474-F493 CarbonylContact O-C 3.57Å; V474-F493 VanDerWaalsContact O-CA 3.27Å; V474-F493 WeakPolarHBondContact O-CA 3.2Å; V474-L494 HydrophobicContact CG2-CB 4.07Å; V474-L494 HydrophobicContact CG2-CD2 4.36Å; V474-L494 WeakPolarHBondContact CG2-O 3.16Å; V474-L494 PolarHBondContact N-O 3.5Å; V474-L494 PolarHBondContact O-N 3.07Å; V474-E496 HydrophobicContact CB-CG 4.44Å; V474-E496 HydrophobicContact CG1-CG 3.98Å; V474-E496 HydrophobicContact CG2-CG 3.56Å; V474-L584 HydrophobicContact CB-CB 4.36Å; V474-L584 HydrophobicContact CB-CD2 4.37Å; V474-L584 HydrophobicContact CG2-CB 4.39Å; V474-L584 HydrophobicContact CG2-CD1 4.06Å; V474-L584 HydrophobicContact CG2-CD2 3.65Å; V474-L584 HydrophobicContact CG2-CG 4.23Å
475	L	86.1	Confident	75.8	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	138.2	177.6	-72.9	170.6	0	0	0	111.7	V462 L491 A492 F493 T504 P524 S585 A587 T590	V462-L475 HydrophobicContact CB-CD1 4.35Å; V462-L475 HydrophobicContact CG1-CD1 4.26Å; V462-L475 HydrophobicContact CG1-CD2 4.33Å; V462-L475 HydrophobicContact CG2-CD1 3.94Å; L475-L491 HydrophobicContact CD1-CD2 4.43Å; L475-L491 HydrophobicContact CD2-CD2 4.13Å; L475-L491 HydrophobicContact CD2-CG 4.12Å; L475-A492 WeakPolarHBondContact CA-O 3.2Å; L475-F493 HydrophobicContact CD2-CD1 3.5Å; L475-F493 VanDerWaalsContact CD2-CD1 3.5Å; L475-F493 HydrophobicContact CD2-CE1 3.54Å; L475-F493 HydrophobicContact CD2-CG 4.31Å; L475-F493 HydrophobicContact CD2-CZ 4.4Å; L475-F493 HydrophobicContact CG-CD1 4.1Å; L475-F493 HydrophobicContact CG-CE1 4.07Å; L475-T504 HydrophobicContact CD2-CG2 3.49Å; L475-T504 VanDerWaalsContact CD2-CG2 3.49Å; L475-P524 HydrophobicContact CB-CG 4.28Å; L475-S585 PolarHBondContact N-O 3.22Å; L475-S585 PolarHBondContact O-N 3.39Å; L475-A587 HydrophobicContact CD1-CB 4.44Å; L475-A587 HydrophobicContact CG-CB 4.28Å; L475-T590 HydrophobicContact CD1-CG2 4.18Å; L475-T590 VanDerWaalsContact CD1-OG1 3.29Å; L475-T590 WeakPolarHBondContact CD1-OG1 3.27Å
476	F	86.5	Confident	76.5	Confident	9 Å²	9	70.2 Å²	70.2	4%	0.039	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	169	175.2	81.4	-70.3	0	0	0	111.6	A478 A492 L494 I501 P580 L584	F476-A478 HydrophobicContact CE2-CB 3.87Å; F476-A478 HydrophobicContact CZ-CB 3.84Å; F476-A492 HydrophobicContact CD1-CB 4.17Å; F476-A492 WeakPolarHBondContact CD1-O 3.22Å; F476-A492 HydrophobicContact CE1-CB 3.59Å; F476-A492 HydrophobicContact CZ-CB 4.05Å; F476-A492 PolarHBondContact N-O 3.33Å; F476-A492 PolarHBondContact O-N 2.74Å; F476-L494 HydrophobicContact CD1-CB 3.61Å; F476-L494 HydrophobicContact CE1-CB 3.71Å; F476-L494 HydrophobicContact CG-CB 4.44Å; F476-I501 HydrophobicContact CE1-CG1 4.32Å; F476-I501 HydrophobicContact CE1-CG2 4.19Å; F476-I501 HydrophobicContact CZ-CD1 3.96Å; F476-I501 HydrophobicContact CZ-CG1 3.99Å; F476-I501 HydrophobicContact CZ-CG2 4.13Å; F476-P580 HydrophobicContact CD2-CB 3.66Å; F476-P580 HydrophobicContact CD2-CG 4.2Å; F476-P580 HydrophobicContact CE2-CB 3.62Å; F476-P580 HydrophobicContact CE2-CG 3.69Å; F476-P580 HydrophobicContact CG-CB 4.21Å; F476-P580 HydrophobicContact CZ-CB 4.15Å; F476-P580 HydrophobicContact CZ-CG 4.19Å; F476-L584 HydrophobicContact CB-CD2 3.98Å
477	W	89.2	Confident	77.3	Confident	6 Å²	6	65.7 Å²	65.7	2%	0.023	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	101	172.1	-66.6	106.7	0	0	0	110.8	K479 L491 L520 A523 P524 L526 V536 V552 P554 S576	W477-K479 PolarHBondContact O-N 3.16Å; W477-L491 HydrophobicContact CD2-CD1 4.24Å; W477-L491 HydrophobicContact CE3-CB 4.23Å; W477-L491 HydrophobicContact CE3-CD1 4.23Å; W477-L491 HydrophobicContact CH2-CB 4.26Å; W477-L491 HydrophobicContact CH2-CD1 4.05Å; W477-L491 HydrophobicContact CZ2-CD1 4.06Å; W477-L491 HydrophobicContact CZ3-CB 3.8Å; W477-L491 HydrophobicContact CZ3-CD1 4.13Å; W477-L520 HydrophobicContact CH2-CD1 3.8Å; W477-L520 HydrophobicContact CZ2-CD1 4.09Å; W477-A523 HydrophobicContact CZ2-CB 4.17Å; W477-P524 PolarHBondContact NE1-O 2.73Å; W477-L526 HydrophobicContact CB-CD1 4.19Å; W477-L526 HydrophobicContact CB-CG 4.41Å; W477-L526 HydrophobicContact CD2-CD1 4.18Å; W477-L526 HydrophobicContact CG-CB 4.17Å; W477-L526 HydrophobicContact CG-CD1 3.92Å; W477-L526 HydrophobicContact CG-CG 4.22Å; W477-V536 HydrophobicContact CH2-CG1 4.14Å; W477-V536 HydrophobicContact CZ2-CB 3.74Å; W477-V536 HydrophobicContact CZ2-CG1 3.79Å; W477-V536 HydrophobicContact CZ2-CG2 3.87Å; W477-V552 HydrophobicContact CH2-CG1 4.45Å; W477-V552 WeakPolarHBondContact CZ3-O 3.13Å; W477-P554 HydrophobicContact CD2-CB 4.31Å; W477-P554 HydrophobicContact CD2-CG 4.26Å; W477-P554 HydrophobicContact CE3-CB 3.97Å; W477-P554 HydrophobicContact CE3-CG 3.71Å; W477-P554 HydrophobicContact CH2-CB 3.79Å; W477-P554 HydrophobicContact CH2-CG 4.39Å; W477-P554 HydrophobicContact CZ2-CB 4.13Å; W477-P554 HydrophobicContact CZ3-CB 3.7Å; W477-P554 HydrophobicContact CZ3-CG 3.79Å; W477-S576 WeakPolarHBondContact O-CB 3.48Å; W477-S576 PolarHBondContact O-OG 2.93Å
478	A	86.9	Confident	78.6	Confident	8 Å²	8	62.3 Å²	62.3	7%	0.066	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.3	174.2	0	0	0	0	0	110.7	F476 S489 H490 A492	F476-A478 HydrophobicContact CE2-CB 3.87Å; F476-A478 HydrophobicContact CZ-CB 3.84Å; A478-S489 VanDerWaalsContact O-CA 3.23Å; A478-S489 WeakPolarHBondContact O-CA 3.39Å; A478-S489 WeakPolarHBondContact O-CB 3.1Å; A478-H490 VanDerWaalsContact CB-CE1 3.49Å; A478-H490 WeakPolarHBondContact CB-CE1 3.33Å; A478-H490 PolarHBondContact N-O 2.76Å; A478-H490 PolarHBondContact O-N 2.72Å; A478-A492 HydrophobicContact CB-CB 3.76Å
479	K	87	Confident	79.8	Confident	128 Å²	128	55.2 Å²	55.2	56%	0.557	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-61.6	158.4	175.5	68.1	-176.6	179.7	-172.8	0	112	W477 N481 S576	W477-K479 PolarHBondContact O-N 3.16Å; K479-N481 PolarHBondContact O-N 3.49Å; K479-S576 WeakPolarHBondContact CA-O 3.48Å; K479-S576 WeakPolarHBondContact CB-O 3.43Å
480	P	84.2	Confident	80.6	Confident	41 Å²	41	53.3 Å²	53.3	27%	0.266	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-49.1	137.7	170.4	-31.5	38.9	0	0	0	113.3	R486 P487 I575	P480-R486 CarbonylContact C-O 3.36Å; P480-R486 WeakPolarHBondContact CA-O 3.37Å; P480-P487 VanDerWaalsContact CB-O 3.23Å; P480-P487 WeakPolarHBondContact CB-O 3.34Å; P480-P487 VanDerWaalsContact CG-O 3.26Å; P480-P487 WeakPolarHBondContact CG-O 3.46Å; P480-I575 HydrophobicContact CG-CG2 3.93Å
481	N	80.4	Confident	81.7	Confident	61 Å²	61	48.1 Å²	48.1	33%	0.326	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-134.4	102.2	173.8	-173.9	-5.1	0	0	0	110.5	K479 H483 T484 K485 R486	K479-N481 PolarHBondContact O-N 3.49Å; N481-H483 PolarHBondContact O-N 3.15Å; N481-H483 WeakPolarHBondContact OD1-CB 3.33Å; N481-H483 PolarHBondContact OD1-N 3.39Å; N481-T484 WeakPolarHBondContact CB-OG1 3.34Å; N481-T484 PolarHBondContact O-N 3.18Å; N481-T484 PolarHBondContact O-OG1 3.08Å; N481-K485 PolarHBondContact O-N 3.08Å; N481-R486 CarbonylContact C-O 3.53Å; N481-R486 PolarHBondContact N-O 3.17Å; N481-R486 PolarHBondContact O-N 2.8Å
482	L	72	Confident	82.2	Confident	144 Å²	144	42.7 Å²	42.7	75%	0.754	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-62	-27.6	178.3	-64.1	174.6	0	0	0	112.5	K485 P487	L482-K485 PolarHBondContact O-N 3.35Å; L482-P487 HydrophobicContact CD2-CB 4.36Å
483	H	74.3	Confident	82.6	Confident	181 Å²	181	41.1 Å²	41.1	84%	0.838	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-70	-32.8	178.7	-60.3	-68.1	0	0	0	112.9	N481 K485	N481-H483 PolarHBondContact O-N 3.15Å; N481-H483 WeakPolarHBondContact OD1-CB 3.33Å; N481-H483 PolarHBondContact OD1-N 3.39Å; H483-K485 VanDerWaalsContact C-N 3.33Å
484	T	68.3	Low	82.8	Confident	34 Å²	34	40.4 Å²	40.4	21%	0.209	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-90.8	4.5	174.2	56.2	0	0	0	0	113	N481 R486 Y546	N481-T484 WeakPolarHBondContact CB-OG1 3.34Å; N481-T484 PolarHBondContact O-N 3.18Å; N481-T484 PolarHBondContact O-OG1 3.08Å; T484-R486 VanDerWaalsContact C-N 3.26Å; T484-R486 PolarHBondContact O-N 3.46Å; T484-Y546 HydrophobicContact CG2-CD2 4.44Å; T484-Y546 HydrophobicContact CG2-CE2 4.46Å
485	K	71.3	Confident	82.8	Confident	145 Å²	145	40.2 Å²	40.2	63%	0.63	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	35.8	-172.4	-54.8	-179.5	179.3	179.6	0	113.3	N481 L482 H483 P487 N545	N481-K485 PolarHBondContact O-N 3.08Å; L482-K485 PolarHBondContact O-N 3.35Å; H483-K485 VanDerWaalsContact C-N 3.33Å; K485-P487 VanDerWaalsContact O-CD 3.28Å; K485-P487 WeakPolarHBondContact O-CD 3.49Å; K485-N545 HydrophobicContact CB-CB 4.16Å; K485-N545 HydrophobicContact CD-CB 4.21Å
486	R	78.1	Confident	82.6	Confident	12 Å²	12	45.2 Å²	45.2	5%	0.045	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-108.4	85.6	170.6	-69.1	-172.5	168.9	152.7	3.6	109.4	P480 N481 T484 Y488 H490 E503 S544 D551	P480-R486 CarbonylContact C-O 3.36Å; P480-R486 WeakPolarHBondContact CA-O 3.37Å; N481-R486 CarbonylContact C-O 3.53Å; N481-R486 PolarHBondContact N-O 3.17Å; N481-R486 PolarHBondContact O-N 2.8Å; T484-R486 VanDerWaalsContact C-N 3.26Å; T484-R486 PolarHBondContact O-N 3.46Å; R486-Y488 VanDerWaalsContact C-N 3.32Å; R486-Y488 HydrophobicContact CB-CE2 4.29Å; R486-Y488 HydrophobicContact CG-CE2 4.4Å; R486-H490 WeakPolarHBondContact CD-CE1 3.17Å; R486-H490 WeakPolarHBondContact CD-NE2 3.38Å; R486-H490 PolarHBondContact NH1-CD2 3.19Å; R486-H490 PolarHBondContact NH1-NE2 3.11Å; R486-E503 IonicContact CZ-OE1 2.73Å; R486-E503 IonicContact CZ-OE2 2.67Å; R486-E503 VanDerWaalsContact CZ-OE2 3.27Å; R486-E503 IonicContact NH1-OE1 2.79Å; R486-E503 IonicContact NH1-OE2 3.47Å; R486-E503 PolarHBondContact NH1-OE2 2.91Å; R486-E503 IonicContact NH2-OE1 3.2Å; R486-E503 PolarHBondContact NH2-OE1 3.48Å; R486-E503 IonicContact NH2-OE2 3.46Å; R486-E503 PolarHBondContact NH2-OE2 3.32Å; R486-S544 PolarHBondContact NE-OG 3.04Å; R486-S544 VanDerWaalsContact NE-OG 3.17Å; R486-D551 WeakPolarHBondContact CD-OD2 3.43Å; R486-D551 WeakPolarHBondContact CG-OD2 3.46Å; R486-D551 IonicContact CZ-OD1 3.99Å; R486-D551 IonicContact CZ-OD2 2.56Å; R486-D551 VanDerWaalsContact NE-CG 3.28Å; R486-D551 IonicContact NE-OD1 2.82Å; R486-D551 PolarHBondContact NE-OD1 3.49Å; R486-D551 VanDerWaalsContact NE-OD1 3.13Å; R486-D551 IonicContact NE-OD2 3.19Å; R486-D551 PolarHBondContact NE-OD2 3.16Å; R486-D551 IonicContact NH2-OD1 2.74Å; R486-D551 PolarHBondContact NH2-OD1 2.78Å; R486-D551 IonicContact NH2-OD2 3.6Å
487	P	81.4	Confident	82.3	Confident	30 Å²	30	54.3 Å²	54.3	20%	0.195	26%	0.255	C	S	.	.			trans	-81.4	-14.3	-174.9	35.8	-38.6	0	0	0	113.2	P480 L482 K485 E570	P480-P487 VanDerWaalsContact CB-O 3.23Å; P480-P487 WeakPolarHBondContact CB-O 3.34Å; P480-P487 VanDerWaalsContact CG-O 3.26Å; P480-P487 WeakPolarHBondContact CG-O 3.46Å; L482-P487 HydrophobicContact CD2-CB 4.36Å; K485-P487 VanDerWaalsContact O-CD 3.28Å; K485-P487 WeakPolarHBondContact O-CD 3.49Å; P487-E570 VanDerWaalsContact CB-CD 3.48Å; P487-E570 HydrophobicContact CB-CG 4.46Å; P487-E570 VanDerWaalsContact CB-OE1 3.26Å; P487-E570 WeakPolarHBondContact CB-OE1 3.44Å; P487-E570 WeakPolarHBondContact CB-OE2 3.4Å; P487-E570 HydrophobicContact CG-CG 4.25Å; P487-E570 WeakPolarHBondContact CG-OE1 3.41Å
488	Y	86.8	Confident	82	Confident	20 Å²	20	57.2 Å²	57.2	8%	0.078	28%	0.277	C	S	.	.	S	Bend	trans	-93.4	165.4	170.7	38.1	-107.2	0	0	0	112	R486 V542 D551 V553 F564	R486-Y488 VanDerWaalsContact C-N 3.32Å; R486-Y488 HydrophobicContact CB-CE2 4.29Å; R486-Y488 HydrophobicContact CG-CE2 4.4Å; Y488-V542 HydrophobicContact CE1-CG2 4.13Å; Y488-V542 HydrophobicContact CE2-CG2 4.05Å; Y488-V542 WeakPolarHBondContact OH-CG2 3.07Å; Y488-D551 HydrophobicContact CE2-CB 4.02Å; Y488-D551 WeakPolarHBondContact CE2-OD2 3.48Å; Y488-V553 HydrophobicContact CD1-CG2 4.22Å; Y488-V553 HydrophobicContact CD2-CG2 3.53Å; Y488-V553 HydrophobicContact CE2-CG2 3.93Å; Y488-V553 HydrophobicContact CG-CG1 4.2Å; Y488-V553 HydrophobicContact CG-CG2 3.69Å; Y488-F564 HydrophobicContact CD1-CZ 4.19Å
489	S	88.7	Confident	81.7	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.294	C	S	.	.			trans	-74	152.5	165.8	-57.2	0	0	0	0	110.7	A478 P554 L574 I575 S576	A478-S489 VanDerWaalsContact O-CA 3.23Å; A478-S489 WeakPolarHBondContact O-CA 3.39Å; A478-S489 WeakPolarHBondContact O-CB 3.1Å; S489-P554 WeakPolarHBondContact O-CD 3.01Å; S489-L574 WeakPolarHBondContact CB-O 3.46Å; S489-L574 PolarHBondContact OG-O 2.82Å; S489-I575 WeakPolarHBondContact OG-CA 3.48Å; S489-S576 PolarHBondContact OG-N 3.41Å
490	H	89.6	Confident	81.5	Confident	10 Å²	10	57.2 Å²	57.2	5%	0.046	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.5	-179.6	59	-67.5	0	0	0	112.1	A478 R486 A492 D551 V552	A478-H490 VanDerWaalsContact CB-CE1 3.49Å; A478-H490 WeakPolarHBondContact CB-CE1 3.33Å; A478-H490 PolarHBondContact N-O 2.76Å; A478-H490 PolarHBondContact O-N 2.72Å; R486-H490 WeakPolarHBondContact CD-CE1 3.17Å; R486-H490 WeakPolarHBondContact CD-NE2 3.38Å; R486-H490 PolarHBondContact NH1-CD2 3.19Å; R486-H490 PolarHBondContact NH1-NE2 3.11Å; H490-A492 PolarHBondContact O-N 2.79Å; H490-D551 HydrophobicContact CB-CB 4.06Å; H490-V552 WeakPolarHBondContact CA-O 3.39Å
491	L	88.5	Confident	81.2	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.9	175	-164.8	76.2	0	0	0	110.5	L475 W477 T504 W506 P524 V552 T590	L475-L491 HydrophobicContact CD1-CD2 4.43Å; L475-L491 HydrophobicContact CD2-CD2 4.13Å; L475-L491 HydrophobicContact CD2-CG 4.12Å; W477-L491 HydrophobicContact CD2-CD1 4.24Å; W477-L491 HydrophobicContact CE3-CB 4.23Å; W477-L491 HydrophobicContact CE3-CD1 4.23Å; W477-L491 HydrophobicContact CH2-CB 4.26Å; W477-L491 HydrophobicContact CH2-CD1 4.05Å; W477-L491 HydrophobicContact CZ2-CD1 4.06Å; W477-L491 HydrophobicContact CZ3-CB 3.8Å; W477-L491 HydrophobicContact CZ3-CD1 4.13Å; L491-T504 HydrophobicContact CD2-CG2 4.28Å; L491-T504 HydrophobicContact CG-CG2 4.17Å; L491-T504 WeakPolarHBondContact O-CG2 3.39Å; L491-T504 PolarHBondContact O-OG1 2.88Å; L491-W506 HydrophobicContact CD2-CH2 4.02Å; L491-W506 HydrophobicContact CD2-CZ2 3.73Å; L491-P524 HydrophobicContact CD1-CG 3.56Å; L491-V552 HydrophobicContact CB-CB 4.13Å; L491-V552 PolarHBondContact N-O 3.01Å; L491-T590 HydrophobicContact CD2-CG2 4.45Å
492	A	86.8	Confident	81	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.008	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.5	-178.1	0	0	0	0	0	111.5	L475 F476 A478 H490 I501	L475-A492 WeakPolarHBondContact CA-O 3.2Å; F476-A492 HydrophobicContact CD1-CB 4.17Å; F476-A492 WeakPolarHBondContact CD1-O 3.22Å; F476-A492 HydrophobicContact CE1-CB 3.59Å; F476-A492 HydrophobicContact CZ-CB 4.05Å; F476-A492 PolarHBondContact N-O 3.33Å; F476-A492 PolarHBondContact O-N 2.74Å; A478-A492 HydrophobicContact CB-CB 3.76Å; H490-A492 PolarHBondContact O-N 2.79Å; A492-I501 HydrophobicContact CB-CG2 4.04Å
493	F	84.9	Confident	81.4	Confident	2 Å²	2	53 Å²	53	1%	0.009	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	139.6	164.6	-65.1	-63.4	0	0	0	110.7	V462 P465 W473 V474 L475 I501 A502 E503 T504 A587	V462-F493 HydrophobicContact CG1-CE1 3.61Å; V462-F493 HydrophobicContact CG1-CE2 4.47Å; V462-F493 HydrophobicContact CG1-CZ 3.34Å; P465-F493 HydrophobicContact CB-CD2 4.48Å; P465-F493 HydrophobicContact CB-CE2 4.22Å; P465-F493 HydrophobicContact CG-CE1 4.42Å; P465-F493 HydrophobicContact CG-CE2 4.33Å; P465-F493 HydrophobicContact CG-CZ 4.26Å; W473-F493 HydrophobicContact CE3-CB 3.74Å; W473-F493 HydrophobicContact CZ3-CB 4.25Å; V474-F493 CarbonylContact O-C 3.57Å; V474-F493 VanDerWaalsContact O-CA 3.27Å; V474-F493 WeakPolarHBondContact O-CA 3.2Å; L475-F493 HydrophobicContact CD2-CD1 3.5Å; L475-F493 VanDerWaalsContact CD2-CD1 3.5Å; L475-F493 HydrophobicContact CD2-CE1 3.54Å; L475-F493 HydrophobicContact CD2-CG 4.31Å; L475-F493 HydrophobicContact CD2-CZ 4.4Å; L475-F493 HydrophobicContact CG-CD1 4.1Å; L475-F493 HydrophobicContact CG-CE1 4.07Å; F493-I501 CarbonylContact O-C 3.51Å; F493-I501 VanDerWaalsContact O-CA 3.29Å; F493-I501 WeakPolarHBondContact O-CA 3.48Å; F493-A502 HydrophobicContact CB-CB 4.24Å; F493-A502 HydrophobicContact CD2-CB 4.49Å; F493-A502 PolarHBondContact N-O 3.01Å; F493-A502 PolarHBondContact O-N 3.04Å; F493-E503 WeakPolarHBondContact CD2-O 3.4Å; F493-E503 WeakPolarHBondContact CE2-O 3.18Å; F493-T504 HydrophobicContact CD2-CG2 4.21Å; F493-T504 HydrophobicContact CE2-CG2 4.27Å; F493-T504 HydrophobicContact CG-CG2 4.37Å; F493-T504 HydrophobicContact CZ-CG2 4.47Å; F493-A587 HydrophobicContact CD1-CB 4.45Å; F493-A587 HydrophobicContact CE1-CB 3.8Å
494	L	84.5	Confident	81.5	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.4	166	176.9	76	0	0	0	108.7	W473 V474 F476 D500 I501 P580 L584	W473-L494 WeakPolarHBondContact CA-O 3.33Å; W473-L494 VanDerWaalsContact CE3-C 3.48Å; V474-L494 HydrophobicContact CG2-CB 4.07Å; V474-L494 HydrophobicContact CG2-CD2 4.36Å; V474-L494 WeakPolarHBondContact CG2-O 3.16Å; V474-L494 PolarHBondContact N-O 3.5Å; V474-L494 PolarHBondContact O-N 3.07Å; F476-L494 HydrophobicContact CD1-CB 3.61Å; F476-L494 HydrophobicContact CE1-CB 3.71Å; F476-L494 HydrophobicContact CG-CB 4.44Å; L494-D500 CarbonylContact C-O 3.56Å; L494-D500 WeakPolarHBondContact CA-O 3.29Å; L494-I501 HydrophobicContact CD1-CG1 4.22Å; L494-P580 HydrophobicContact CD1-CB 3.83Å; L494-P580 HydrophobicContact CD1-CG 4.26Å; L494-P580 HydrophobicContact CD2-CB 3.59Å; L494-P580 HydrophobicContact CG-CB 4.22Å; L494-L584 HydrophobicContact CD2-CD2 4.11Å
495	N	84.1	Confident	82.1	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.043	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	114.5	162.8	-171.9	-61.8	0	0	0	109.3	Q472 W473 R497 S498 G499 D500	Q472-N495 CarbonylContact O-C 3.56Å; Q472-N495 WeakPolarHBondContact O-CA 3.48Å; W473-N495 HydrophobicContact CD2-CB 4.04Å; W473-N495 HydrophobicContact CE3-CB 3.81Å; W473-N495 HydrophobicContact CH2-CB 3.85Å; W473-N495 HydrophobicContact CZ2-CB 4.02Å; W473-N495 HydrophobicContact CZ3-CB 3.73Å; N495-R497 PolarHBondContact O-N 2.94Å; N495-R497 VanDerWaalsContact O-N 3.1Å; N495-R497 WeakPolarHBondContact OD1-CA 3.42Å; N495-R497 WeakPolarHBondContact OD1-CB 3.38Å; N495-R497 PolarHBondContact OD1-N 2.85Å; N495-S498 WeakPolarHBondContact CB-OG 3.17Å; N495-S498 VanDerWaalsContact CG-OG 3.23Å; N495-S498 PolarHBondContact OD1-N 3Å; N495-S498 PolarHBondContact OD1-OG 3.23Å; N495-G499 WeakPolarHBondContact O-CA 3.19Å; N495-G499 PolarHBondContact O-N 3.33Å; N495-D500 HydrophobicContact CB-CB 4.18Å; N495-D500 PolarHBondContact N-O 2.82Å
496	E	81.4	Confident	82.4	Confident	105 Å²	105	42.2 Å²	42.2	49%	0.491	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.5	-176.4	-62.7	-171.7	115.3	0	0	113.8	Q472 V474 L584	Q472-E496 PolarHBondContact O-N 2.87Å; V474-E496 HydrophobicContact CB-CG 4.44Å; V474-E496 HydrophobicContact CG1-CG 3.98Å; V474-E496 HydrophobicContact CG2-CG 3.56Å; E496-L584 WeakPolarHBondContact OE1-CD1 3.22Å
497	R	80.8	Confident	82.2	Confident	200 Å²	200	47.7 Å²	47.7	76%	0.755	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-36.1	-172.3	-171	178.8	-178.3	177.2	-0.3	113.9	Q472 N495	Q472-R497 HydrophobicContact CG-CB 4.43Å; N495-R497 PolarHBondContact O-N 2.94Å; N495-R497 VanDerWaalsContact O-N 3.1Å; N495-R497 WeakPolarHBondContact OD1-CA 3.42Å; N495-R497 WeakPolarHBondContact OD1-CB 3.38Å; N495-R497 PolarHBondContact OD1-N 2.85Å
498	S	81.8	Confident	81.8	Confident	68 Å²	68	48.7 Å²	48.7	48%	0.476	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-20.3	177	59.6	0	0	0	0	113.8	N495 D500	N495-S498 WeakPolarHBondContact CB-OG 3.17Å; N495-S498 VanDerWaalsContact CG-OG 3.23Å; N495-S498 PolarHBondContact OD1-N 3Å; N495-S498 PolarHBondContact OD1-OG 3.23Å; S498-D500 WeakPolarHBondContact CB-OD2 3.41Å; S498-D500 PolarHBondContact OG-N 3.04Å; S498-D500 PolarHBondContact OG-OD2 2.74Å
499	G	81.5	Confident	81	Confident	41 Å²	41	53.2 Å²	53.2	42%	0.423	28%	0.278	S	S	.	.			trans	78.7	4.1	-170.8	0	0	0	0	0	114.1	N495	N495-G499 WeakPolarHBondContact O-CA 3.19Å; N495-G499 PolarHBondContact O-N 3.33Å
500	D	81.5	Confident	80.3	Confident	95 Å²	95	53.6 Å²	53.6	51%	0.508	28%	0.28	S	S	.	.			trans	-62.7	145.8	177.6	-66.8	-50.3	0	0	0	111.6	W473 L494 N495 S498	W473-D500 HydrophobicContact CH2-CB 3.9Å; W473-D500 HydrophobicContact CZ3-CB 4.43Å; L494-D500 CarbonylContact C-O 3.56Å; L494-D500 WeakPolarHBondContact CA-O 3.29Å; N495-D500 HydrophobicContact CB-CB 4.18Å; N495-D500 PolarHBondContact N-O 2.82Å; S498-D500 WeakPolarHBondContact CB-OD2 3.41Å; S498-D500 PolarHBondContact OG-N 3.04Å; S498-D500 PolarHBondContact OG-OD2 2.74Å
501	I	78.9	Confident	78.9	Confident	102 Å²	102	55.3 Å²	55.3	52%	0.523	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.6	178.2	-62.3	168.8	0	0	0	109.2	F476 A492 F493 L494	F476-I501 HydrophobicContact CE1-CG1 4.32Å; F476-I501 HydrophobicContact CE1-CG2 4.19Å; F476-I501 HydrophobicContact CZ-CD1 3.96Å; F476-I501 HydrophobicContact CZ-CG1 3.99Å; F476-I501 HydrophobicContact CZ-CG2 4.13Å; A492-I501 HydrophobicContact CB-CG2 4.04Å; F493-I501 CarbonylContact O-C 3.51Å; F493-I501 VanDerWaalsContact O-CA 3.29Å; F493-I501 WeakPolarHBondContact O-CA 3.48Å; L494-I501 HydrophobicContact CD1-CG1 4.22Å
502	A	76.8	Confident	77.6	Confident	22 Å²	22	58 Å²	58	18%	0.182	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	156.6	-179.2	0	0	0	0	0	113.5	W473 F493	W473-A502 HydrophobicContact CE3-CB 4.41Å; W473-A502 HydrophobicContact CH2-CB 3.9Å; W473-A502 HydrophobicContact CZ3-CB 3.65Å; F493-A502 HydrophobicContact CB-CB 4.24Å; F493-A502 HydrophobicContact CD2-CB 4.49Å; F493-A502 PolarHBondContact N-O 3.01Å; F493-A502 PolarHBondContact O-N 3.04Å
503	E	79	Confident	76.1	Confident	33 Å²	33	64.2 Å²	64.2	15%	0.154	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	144.3	-176.5	-59.5	-75.5	-132.6	0	0	113	R486 F493 F505 H549	R486-E503 IonicContact CZ-OE1 2.73Å; R486-E503 IonicContact CZ-OE2 2.67Å; R486-E503 VanDerWaalsContact CZ-OE2 3.27Å; R486-E503 IonicContact NH1-OE1 2.79Å; R486-E503 IonicContact NH1-OE2 3.47Å; R486-E503 PolarHBondContact NH1-OE2 2.91Å; R486-E503 IonicContact NH2-OE1 3.2Å; R486-E503 PolarHBondContact NH2-OE1 3.48Å; R486-E503 IonicContact NH2-OE2 3.46Å; R486-E503 PolarHBondContact NH2-OE2 3.32Å; F493-E503 WeakPolarHBondContact CD2-O 3.4Å; F493-E503 WeakPolarHBondContact CE2-O 3.18Å; E503-F505 HydrophobicContact CB-CE2 3.83Å; E503-F505 HydrophobicContact CB-CZ 4.08Å; E503-F505 WeakPolarHBondContact O-CD2 3.28Å; E503-F505 PolarHBondContact O-N 2.77Å; E503-H549 IonicContact OE1-CD2 3.23Å; E503-H549 IonicContact OE1-CG 2.74Å; E503-H549 IonicContact OE2-CD2 3.21Å
504	T	77.6	Confident	75.1	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.006	35%	0.351	C	S	.	.			trans	-89.6	106.4	-179.2	50.9	0	0	0	0	112.7	L475 L491 F493 W506 H549	L475-T504 HydrophobicContact CD2-CG2 3.49Å; L475-T504 VanDerWaalsContact CD2-CG2 3.49Å; L491-T504 HydrophobicContact CD2-CG2 4.28Å; L491-T504 HydrophobicContact CG-CG2 4.17Å; L491-T504 WeakPolarHBondContact O-CG2 3.39Å; L491-T504 PolarHBondContact O-OG1 2.88Å; F493-T504 HydrophobicContact CD2-CG2 4.21Å; F493-T504 HydrophobicContact CE2-CG2 4.27Å; F493-T504 HydrophobicContact CG-CG2 4.37Å; F493-T504 HydrophobicContact CZ-CG2 4.47Å; T504-W506 PolarHBondContact O-NE1 3.03Å; T504-H549 PolarHBondContact N-NE2 3.12Å; T504-H549 PolarHBondContact O-CE1 2.74Å; T504-H549 VanDerWaalsContact O-CE1 3.23Å; T504-H549 PolarHBondContact O-NE2 2.99Å
505	F	79.6	Confident	74.4	Confident	116 Å²	116	68.9 Å²	68.9	51%	0.509	37%	0.374	S	S	.	.			trans	-87.6	153.1	173.5	-61.8	-84.8	0	0	0	111.2	V462 K463 E503	V462-F505 CarbonylContact C-O 3.54Å; K463-F505 HydrophobicContact CB-CB 4.08Å; K463-F505 HydrophobicContact CD-CB 4.36Å; K463-F505 PolarHBondContact N-O 3.08Å; E503-F505 HydrophobicContact CB-CE2 3.83Å; E503-F505 HydrophobicContact CB-CZ 4.08Å; E503-F505 WeakPolarHBondContact O-CD2 3.28Å; E503-F505 PolarHBondContact O-N 2.77Å
506	W	78.9	Confident	73.7	Confident	16 Å²	16	69.6 Å²	69.6	6%	0.061	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.7	-173.3	-62.2	83.3	0	0	0	111.3	H460 V461 V462 L491 T504 P508 L510 V552 T590 M592	H460-W506 HydrophobicContact CB-CE3 4.28Å; H460-W506 WeakPolarHBondContact O-CZ3 3.46Å; V461-W506 CarbonylContact O-C 3.52Å; V461-W506 WeakPolarHBondContact O-CA 3.45Å; V462-W506 HydrophobicContact CG2-CD2 4.17Å; V462-W506 HydrophobicContact CG2-CE3 3.82Å; V462-W506 HydrophobicContact CG2-CH2 3.43Å; V462-W506 VanDerWaalsContact CG2-CH2 3.43Å; V462-W506 HydrophobicContact CG2-CZ2 3.77Å; V462-W506 HydrophobicContact CG2-CZ3 3.45Å; V462-W506 VanDerWaalsContact CG2-CZ3 3.45Å; L491-W506 HydrophobicContact CD2-CH2 4.02Å; L491-W506 HydrophobicContact CD2-CZ2 3.73Å; T504-W506 PolarHBondContact O-NE1 3.03Å; W506-P508 CarbonylContact C-O 3.59Å; W506-P508 CarbonylContact O-C 3.56Å; W506-L510 HydrophobicContact CB-CD2 4.11Å; W506-L510 HydrophobicContact CB-CG 3.91Å; W506-L510 HydrophobicContact CG-CD1 4.01Å; W506-L510 HydrophobicContact CG-CD2 4.12Å; W506-L510 HydrophobicContact CG-CG 3.93Å; W506-V552 HydrophobicContact CZ2-CG2 3.75Å; W506-T590 HydrophobicContact CH2-CG2 4.38Å; W506-M592 HydrophobicContact CD2-CE 3.75Å; W506-M592 HydrophobicContact CE3-CE 3.81Å; W506-M592 HydrophobicContact CE3-CG 4.06Å; W506-M592 HydrophobicContact CH2-CB 4.47Å; W506-M592 HydrophobicContact CH2-CE 3.55Å; W506-M592 HydrophobicContact CH2-CG 4.46Å; W506-M592 HydrophobicContact CZ2-CE 3.48Å; W506-M592 VanDerWaalsContact CZ2-CE 3.48Å; W506-M592 HydrophobicContact CZ3-CB 4.09Å; W506-M592 HydrophobicContact CZ3-CE 3.71Å; W506-M592 HydrophobicContact CZ3-CG 3.85Å
507	H	72.6	Confident	73.4	Confident	127 Å²	127	65.2 Å²	65.2	59%	0.588	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.1	177.9	-173.6	72.9	0	0	0	111.2	V461 K463	V461-H507 PolarHBondContact N-O 3.21Å; V461-H507 PolarHBondContact O-N 2.72Å; K463-H507 HydrophobicContact CB-CB 4.2Å
508	P	73.9	Confident	73.5	Confident	52 Å²	52	55.7 Å²	55.7	34%	0.338	32%	0.32	S	S	.	.	S	Bend	cis	-59.2	164.7	-10.1	25.6	-33.3	0	0	0	112.1	T458 H460 W506	T458-P508 HydrophobicContact CG2-CG 3.34Å; H460-P508 PolarHBondContact ND1-O 3.27Å; W506-P508 CarbonylContact C-O 3.59Å; W506-P508 CarbonylContact O-C 3.56Å
509	T	70.2	Confident	73.7	Confident	115 Å²	115	54.7 Å²	54.7	71%	0.706	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-61	143.4	-177.7	-48.9	0	0	0	0	111.3	H460	H460-T509 PolarHBondContact CE1-O 3.28Å
510	L	72.4	Confident	73.9	Confident	7 Å²	7	53 Å²	53	4%	0.037	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-62.9	142.7	178.6	-65.8	-178.7	0	0	0	111.9	H460 W506 T512 V541 F550 M592 I594	H460-L510 HydrophobicContact CB-CD2 4.09Å; W506-L510 HydrophobicContact CB-CD2 4.11Å; W506-L510 HydrophobicContact CB-CG 3.91Å; W506-L510 HydrophobicContact CG-CD1 4.01Å; W506-L510 HydrophobicContact CG-CD2 4.12Å; W506-L510 HydrophobicContact CG-CG 3.93Å; L510-T512 PolarHBondContact O-N 3.17Å; L510-V541 HydrophobicContact CD1-CG1 4.14Å; L510-V541 HydrophobicContact CD1-CG2 4.43Å; L510-F550 HydrophobicContact CB-CD2 4.47Å; L510-F550 HydrophobicContact CD1-CB 3.88Å; L510-M592 HydrophobicContact CD1-CE 4.09Å; L510-M592 HydrophobicContact CD2-CE 3.83Å; L510-M592 HydrophobicContact CD2-CG 4.45Å; L510-M592 HydrophobicContact CD2-SD 3.47Å; L510-M592 WeakPolarHBondContact CD2-SD 3.32Å; L510-I594 HydrophobicContact CD2-CD1 4.13Å
511	P	61.9	Low	74	Confident	47 Å²	47	53.5 Å²	53.5	31%	0.305	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-53.6	130.1	167.4	-25.7	34.3	0	0	0	111.7	I513 Y516 I594	P511-I513 PolarHBondContact O-N 3.37Å; P511-I513 VanDerWaalsContact O-N 3.07Å; P511-Y516 HydrophobicContact CB-CE1 4.49Å; P511-Y516 WeakPolarHBondContact CD-OH 3.16Å; P511-Y516 PolarHBondContact O-OH 2.77Å; P511-Y516 VanDerWaalsContact O-OH 3.05Å; P511-I594 HydrophobicContact CG-CD1 3.63Å
512	T	59.5	Low	74.2	Confident	59 Å²	59	53.7 Å²	53.7	36%	0.362	29%	0.286	S	S	.	.	S	Bend	trans	-76.5	11	-174.3	58.5	0	0	0	0	114.5	L510 F550 I842	L510-T512 PolarHBondContact O-N 3.17Å; T512-F550 HydrophobicContact CG2-CE2 4.5Å; T512-I842 HydrophobicContact CG2-CD1 4.46Å; T512-I842 WeakPolarHBondContact OG1-CD1 3.14Å
513	I	57	Low	74.6	Confident	130 Å²	130	53.7 Å²	53.7	67%	0.667	29%	0.285	S	S	*	.	S	Bend	trans	-111.1	68.1	-175.4	-49.5	177.3	0	0	0	108.4	P511 Y516	P511-I513 PolarHBondContact O-N 3.37Å; P511-I513 VanDerWaalsContact O-N 3.07Å; I513-Y516 WeakPolarHBondContact O-CD1 3.48Å
514	A	62	Low	74.9	Confident	29 Å²	29	52.3 Å²	52.3	24%	0.24	28%	0.279	C	S	.	.			trans	-80.5	157.8	173.1	0	0	0	0	0	111.4	Y516 F550	A514-Y516 HydrophobicContact CB-CE1 4.36Å; A514-F550 HydrophobicContact CB-CD1 4.04Å; A514-F550 HydrophobicContact CB-CE1 3.75Å
515	P	70	Confident	75.3	Confident	73 Å²	73	56.4 Å²	56.4	47%	0.474	30%	0.299	S	S	.	.			cis	-86.8	155.3	-2.7	31.7	-32.9	0	0	0	115.6	V540 V541 V542 L565	P515-V540 HydrophobicContact CB-CG1 3.87Å; P515-V541 WeakPolarHBondContact CA-O 3.31Å; P515-V541 WeakPolarHBondContact CB-O 3.4Å; P515-V542 HydrophobicContact CB-CG1 4.3Å; P515-L565 HydrophobicContact CB-CD2 3.96Å; P515-L565 HydrophobicContact CB-CG 4.4Å; P515-L565 HydrophobicContact CG-CD2 3.66Å; P515-L565 HydrophobicContact CG-CG 4.49Å
516	Y	70.3	Confident	75.5	Confident	24 Å²	24	51 Å²	51	9%	0.094	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	154.5	173.4	50.1	-91	0	0	0	113.3	P511 I513 A514 V518 V540 V541 I594	P511-Y516 HydrophobicContact CB-CE1 4.49Å; P511-Y516 WeakPolarHBondContact CD-OH 3.16Å; P511-Y516 PolarHBondContact O-OH 2.77Å; P511-Y516 VanDerWaalsContact O-OH 3.05Å; I513-Y516 WeakPolarHBondContact O-CD1 3.48Å; A514-Y516 HydrophobicContact CB-CE1 4.36Å; Y516-V518 HydrophobicContact CD2-CG1 3.63Å; Y516-V518 HydrophobicContact CE2-CG1 3.66Å; Y516-V540 WeakPolarHBondContact O-CA 3.49Å; Y516-V541 HydrophobicContact CD2-CB 4.14Å; Y516-V541 HydrophobicContact CD2-CG2 4.22Å; Y516-V541 HydrophobicContact CE1-CB 4.26Å; Y516-V541 HydrophobicContact CE1-CG1 4.24Å; Y516-V541 HydrophobicContact CE2-CB 3.73Å; Y516-V541 HydrophobicContact CE2-CG1 4.26Å; Y516-V541 HydrophobicContact CE2-CG2 3.63Å; Y516-V541 PolarHBondContact N-O 2.96Å; Y516-V541 PolarHBondContact O-N 3.44Å; Y516-I594 HydrophobicContact CD2-CG2 3.87Å; Y516-I594 HydrophobicContact CE2-CD1 3.82Å; Y516-I594 HydrophobicContact CE2-CG1 4.11Å; Y516-I594 HydrophobicContact CE2-CG2 3.9Å
517	I	75.5	Confident	75.7	Confident	13 Å²	13	52.7 Å²	52.7	7%	0.067	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	137.8	175.9	-52.2	180	0	0	0	110.4	Y538 A539 A561 Y562 L565	I517-Y538 HydrophobicContact CG2-CD1 4.1Å; I517-A539 WeakPolarHBondContact CA-O 3.32Å; I517-A561 HydrophobicContact CD1-CB 4.14Å; I517-A561 HydrophobicContact CG1-CB 4.14Å; I517-A561 HydrophobicContact CG2-CB 4.02Å; I517-Y562 HydrophobicContact CD1-CD2 4.25Å; I517-L565 HydrophobicContact CD1-CD1 4.18Å; I517-L565 HydrophobicContact CG1-CD1 3.38Å
518	V	82.6	Confident	76.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.1	170.9	-57	0	0	0	0	110.6	Y516 L520 A539 V541 M592 L593 I594	Y516-V518 HydrophobicContact CD2-CG1 3.63Å; Y516-V518 HydrophobicContact CE2-CG1 3.66Å; V518-L520 HydrophobicContact CG2-CD2 3.87Å; V518-L520 HydrophobicContact CG2-CG 4.42Å; V518-A539 HydrophobicContact CG2-CB 3.92Å; V518-A539 PolarHBondContact N-O 3.07Å; V518-A539 PolarHBondContact O-N 2.97Å; V518-A539 VanDerWaalsContact O-N 3.14Å; V518-V541 HydrophobicContact CG1-CG2 3.69Å; V518-V541 HydrophobicContact CG2-CG2 4.18Å; V518-M592 HydrophobicContact CB-CB 4.3Å; V518-M592 HydrophobicContact CB-SD 3.98Å; V518-M592 HydrophobicContact CG1-SD 3.67Å; V518-M592 HydrophobicContact CG2-CB 4.37Å; V518-M592 HydrophobicContact CG2-CE 4.42Å; V518-M592 HydrophobicContact CG2-SD 4.07Å; V518-L593 WeakPolarHBondContact CA-O 3.21Å; V518-I594 HydrophobicContact CG1-CG1 4.11Å
519	E	85.8	Confident	76.2	Confident	47 Å²	47	49.9 Å²	49.9	22%	0.22	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.4	166.5	178.6	-179	126.5	0	0	108.1	F537 Y538 M592 L593 K595	E519-F537 WeakPolarHBondContact CA-O 3.08Å; E519-Y538 HydrophobicContact CB-CE1 4.46Å; E519-M592 CarbonylContact O-C 3.56Å; E519-M592 VanDerWaalsContact O-CA 3.28Å; E519-M592 WeakPolarHBondContact O-CA 3.35Å; E519-L593 HydrophobicContact CB-CB 4.39Å; E519-L593 PolarHBondContact N-O 3.04Å; E519-L593 PolarHBondContact O-N 2.93Å; E519-K595 HydrophobicContact CB-CD 4.45Å; E519-K595 VanDerWaalsContact OE2-CE 3.25Å; E519-K595 WeakPolarHBondContact OE2-CE 3.31Å; E519-K595 IonicContact OE2-NZ 2.7Å; E519-K595 PolarHBondContact OE2-NZ 2.89Å
520	L	86.2	Confident	76.7	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	142.4	179.8	-63	-175.6	0	0	0	111.3	W477 V518 A523 V536 F537 A539 V552 M592	W477-L520 HydrophobicContact CH2-CD1 3.8Å; W477-L520 HydrophobicContact CZ2-CD1 4.09Å; V518-L520 HydrophobicContact CG2-CD2 3.87Å; V518-L520 HydrophobicContact CG2-CG 4.42Å; L520-A523 HydrophobicContact CB-CB 4.17Å; L520-A523 HydrophobicContact CD1-CB 4.09Å; L520-V536 WeakPolarHBondContact CB-O 3.34Å; L520-V536 HydrophobicContact CD1-CG1 4.11Å; L520-F537 PolarHBondContact N-O 3.41Å; L520-A539 HydrophobicContact CD1-CB 3.72Å; L520-A539 HydrophobicContact CG-CB 4.05Å; L520-V552 HydrophobicContact CD1-CG1 4.18Å; L520-V552 HydrophobicContact CD2-CG1 4.23Å; L520-M592 HydrophobicContact CD2-CB 3.65Å
521	R	83.9	Confident	76.7	Confident	105 Å²	105	54.1 Å²	54.1	40%	0.396	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133.5	175.2	-69.1	167.3	163.7	-166.4	-7.5	109.1	E459 A523 T590 S591	E459-R521 WeakPolarHBondContact OE1-CD 3.15Å; E459-R521 IonicContact OE1-CZ 3.55Å; E459-R521 IonicContact OE1-NE 2.63Å; E459-R521 IonicContact OE1-NH1 3.08Å; E459-R521 PolarHBondContact OE1-NH1 3.45Å; E459-R521 IonicContact OE2-NH1 2.7Å; E459-R521 PolarHBondContact OE2-NH1 3.4Å; E459-R521 VanDerWaalsContact OE2-NH1 3.08Å; R521-A523 PolarHBondContact O-N 2.97Å; R521-A523 VanDerWaalsContact O-N 3.14Å; R521-T590 WeakPolarHBondContact O-CA 3.46Å; R521-S591 WeakPolarHBondContact CB-OG 3.31Å; R521-S591 PolarHBondContact N-O 3.2Å; R521-S591 PolarHBondContact O-N 2.64Å; R521-S591 VanDerWaalsContact O-N 3.09Å
522	N	83	Confident	77.6	Confident	107 Å²	107	59.6 Å²	59.6	57%	0.572	31%	0.306	S	S	*	.	S	Bend	trans	52	32	-179.4	-42.3	-52.9	0	0	0	114.3	S585 K589 T590	N522-S585 PolarHBondContact O-OG 3.09Å; N522-S585 VanDerWaalsContact O-OG 3.13Å; N522-K589 HydrophobicContact CB-CB 4.18Å; N522-K589 WeakPolarHBondContact CB-O 3.5Å; N522-K589 PolarHBondContact ND2-O 3.18Å; N522-T590 PolarHBondContact O-OG1 2.66Å
523	A	84.7	Confident	78.6	Confident	21 Å²	21	59 Å²	59	17%	0.174	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-62.4	153.8	169.4	0	0	0	0	0	110.5	W477 L520 R521 T590	W477-A523 HydrophobicContact CZ2-CB 4.17Å; L520-A523 HydrophobicContact CB-CB 4.17Å; L520-A523 HydrophobicContact CD1-CB 4.09Å; R521-A523 PolarHBondContact O-N 2.97Å; R521-A523 VanDerWaalsContact O-N 3.14Å; A523-T590 HydrophobicContact CB-CG2 4.41Å
524	P	86.1	Confident	80	Confident	4 Å²	4	54.5 Å²	54.5	3%	0.026	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-57.2	150.2	166.5	22.8	-29.8	0	0	0	110.7	L475 W477 L491 A583	L475-P524 HydrophobicContact CB-CG 4.28Å; W477-P524 PolarHBondContact NE1-O 2.73Å; L491-P524 HydrophobicContact CD1-CG 3.56Å; P524-A583 VanDerWaalsContact CB-O 3.25Å; P524-A583 WeakPolarHBondContact CB-O 3.27Å
525	Q	85.1	Confident	81.1	Confident	88 Å²	88	57.2 Å²	57.2	41%	0.411	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-68.6	141.3	170.4	-68.8	-173.2	-35.3	0	0	109.5	A533 V534 D535 A583	Q525-A533 HydrophobicContact CB-CB 4.35Å; Q525-V534 WeakPolarHBondContact CA-O 3.33Å; Q525-D535 WeakPolarHBondContact CG-OD1 3.5Å; Q525-D535 PolarHBondContact NE2-OD1 3.01Å; Q525-A583 HydrophobicContact CB-CB 4.25Å; Q525-A583 WeakPolarHBondContact O-CB 3.41Å
526	L	84.7	Confident	82	Confident	1 Å²	1	54 Å²	54	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.2	172.8	-172.2	147.5	0	0	0	108.5	W477 L528 V534 V536 P554 L574	W477-L526 HydrophobicContact CB-CD1 4.19Å; W477-L526 HydrophobicContact CB-CG 4.41Å; W477-L526 HydrophobicContact CD2-CD1 4.18Å; W477-L526 HydrophobicContact CG-CB 4.17Å; W477-L526 HydrophobicContact CG-CD1 3.92Å; W477-L526 HydrophobicContact CG-CG 4.22Å; L526-L528 HydrophobicContact CD2-CD2 3.67Å; L526-L528 HydrophobicContact CD2-CG 4.14Å; L526-V534 PolarHBondContact N-O 2.96Å; L526-V534 PolarHBondContact O-N 3.4Å; L526-V536 HydrophobicContact CB-CG2 3.65Å; L526-V536 HydrophobicContact CD1-CG2 4.43Å; L526-P554 HydrophobicContact CD1-CB 3.84Å; L526-P554 HydrophobicContact CD1-CG 3.51Å; L526-L574 HydrophobicContact CD1-CB 3.67Å; L526-L574 HydrophobicContact CD1-CD1 4.44Å; L526-L574 HydrophobicContact CD2-CB 4.05Å; L526-L574 HydrophobicContact CG-CB 4.5Å
527	K	81.8	Confident	82.8	Confident	53 Å²	53	59 Å²	59	23%	0.23	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.4	168.6	-80.8	-156	174.2	-163.7	0	110.5	D531 R532 V578 A582	K527-D531 IonicContact NZ-OD1 3.71Å; K527-D531 PolarHBondContact NZ-OD1 3.17Å; K527-R532 WeakPolarHBondContact CA-O 3.35Å; K527-V578 HydrophobicContact CB-CB 4.09Å; K527-V578 HydrophobicContact CB-CG2 3.63Å; K527-V578 HydrophobicContact CD-CB 4.38Å; K527-V578 HydrophobicContact CD-CG1 4.16Å; K527-V578 HydrophobicContact CD-CG2 4.09Å; K527-A582 HydrophobicContact CD-CB 3.89Å
528	L	80.8	Confident	83.5	Confident	36 Å²	36	61 Å²	61	19%	0.188	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-78.1	168.1	174	-71.4	178.1	0	0	0	111.8	L526 D530 D531 R532 V534 L574	L526-L528 HydrophobicContact CD2-CD2 3.67Å; L526-L528 HydrophobicContact CD2-CG 4.14Å; L528-D530 WeakPolarHBondContact CB-OD1 3.45Å; L528-D530 PolarHBondContact O-N 3.33Å; L528-D530 VanDerWaalsContact O-N 3.14Å; L528-D531 PolarHBondContact O-N 3.02Å; L528-R532 PolarHBondContact N-O 2.93Å; L528-V534 HydrophobicContact CD1-CG2 3.61Å; L528-V534 HydrophobicContact CG-CG2 4.07Å; L528-L574 HydrophobicContact CD2-CD2 4.3Å
529	P	76.3	Confident	83.8	Confident	83 Å²	83	61 Å²	61	54%	0.539	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.8	178.6	-23.1	35.1	0	0	0	115.4	D531 Q577	P529-D531 VanDerWaalsContact C-N 3.31Å; P529-Q577 HydrophobicContact CG-CB 4.38Å; P529-Q577 HydrophobicContact CG-CG 3.94Å
530	D	80.5	Confident	83.9	Confident	106 Å²	106	58.8 Å²	58.8	57%	0.567	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	18.3	173.7	66.4	-22.5	0	0	0	112.8	L528 R532	L528-D530 WeakPolarHBondContact CB-OD1 3.45Å; L528-D530 PolarHBondContact O-N 3.33Å; L528-D530 VanDerWaalsContact O-N 3.14Å; D530-R532 PolarHBondContact O-N 3.08Å; D530-R532 WeakPolarHBondContact OD1-CB 3.12Å; D530-R532 PolarHBondContact OD1-N 3.02Å
531	D	73.1	Confident	83.8	Confident	106 Å²	106	58.5 Å²	58.5	57%	0.567	29%	0.294	S	S	*	.	S	Bend	trans	62	3.8	-174.9	-124.4	-38.6	0	0	0	114.9	K527 L528 P529 A533	K527-D531 IonicContact NZ-OD1 3.71Å; K527-D531 PolarHBondContact NZ-OD1 3.17Å; L528-D531 PolarHBondContact O-N 3.02Å; P529-D531 VanDerWaalsContact C-N 3.31Å; D531-A533 PolarHBondContact O-N 3.27Å
532	R	80.5	Confident	83.9	Confident	161 Å²	161	54.3 Å²	54.3	61%	0.608	28%	0.279	S	S	*	.			trans	-72.5	123.8	180	-175.1	179.2	174.2	-179.2	-2.1	111	K527 L528 D530 V534	K527-R532 WeakPolarHBondContact CA-O 3.35Å; L528-R532 PolarHBondContact N-O 2.93Å; D530-R532 PolarHBondContact O-N 3.08Å; D530-R532 WeakPolarHBondContact OD1-CB 3.12Å; D530-R532 PolarHBondContact OD1-N 3.02Å; R532-V534 HydrophobicContact CG-CG2 4.28Å
533	A	81.5	Confident	83.6	Confident	47 Å²	47	52.7 Å²	52.7	39%	0.388	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	136.5	167.3	0	0	0	0	0	111	Q525 D531	Q525-A533 HydrophobicContact CB-CB 4.35Å; D531-A533 PolarHBondContact O-N 3.27Å
534	V	84.9	Confident	82.9	Confident	35 Å²	35	51.8 Å²	51.8	21%	0.212	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132.6	178.1	179.3	0	0	0	0	110	Q525 L526 L528 R532	Q525-V534 WeakPolarHBondContact CA-O 3.33Å; L526-V534 PolarHBondContact N-O 2.96Å; L526-V534 PolarHBondContact O-N 3.4Å; L528-V534 HydrophobicContact CD1-CG2 3.61Å; L528-V534 HydrophobicContact CG-CG2 4.07Å; R532-V534 HydrophobicContact CG-CG2 4.28Å
535	D	86.5	Confident	81.6	Confident	86 Å²	86	57.8 Å²	57.8	46%	0.46	29%	0.293	S	S	.	.			trans	-75.3	120.8	173.2	-60	-53	0	0	0	110.4	Q525 F537	Q525-D535 WeakPolarHBondContact CG-OD1 3.5Å; Q525-D535 PolarHBondContact NE2-OD1 3.01Å; D535-F537 HydrophobicContact CB-CD2 4.24Å; D535-F537 HydrophobicContact CB-CE1 4.36Å; D535-F537 HydrophobicContact CB-CE2 3.49Å; D535-F537 VanDerWaalsContact CB-CE2 3.49Å; D535-F537 HydrophobicContact CB-CZ 3.56Å; D535-F537 WeakPolarHBondContact O-CD2 3.39Å; D535-F537 PolarHBondContact O-N 3Å
536	V	87.5	Confident	80	Confident	7 Å²	7	58.6 Å²	58.6	4%	0.042	29%	0.293	C	S	.	.			trans	-91.4	96.2	-179.2	-174	0	0	0	0	110	W477 L520 L526 Y538 P554 L574	W477-V536 HydrophobicContact CH2-CG1 4.14Å; W477-V536 HydrophobicContact CZ2-CB 3.74Å; W477-V536 HydrophobicContact CZ2-CG1 3.79Å; W477-V536 HydrophobicContact CZ2-CG2 3.87Å; L520-V536 WeakPolarHBondContact CB-O 3.34Å; L520-V536 HydrophobicContact CD1-CG1 4.11Å; L526-V536 HydrophobicContact CB-CG2 3.65Å; L526-V536 HydrophobicContact CD1-CG2 4.43Å; V536-Y538 WeakPolarHBondContact CG1-O 3.43Å; V536-P554 HydrophobicContact CB-CB 4.49Å; V536-P554 HydrophobicContact CG1-CB 3.6Å; V536-P554 HydrophobicContact CG2-CB 4.09Å; V536-L574 HydrophobicContact CG2-CD1 4.1Å
537	F	89	Confident	78.5	Confident	128 Å²	128	64.2 Å²	64.2	56%	0.561	32%	0.323	S	S	*	.			trans	-86.5	-21.1	176.8	-60.2	-73	0	0	0	114.1	E519 L520 D535	E519-F537 WeakPolarHBondContact CA-O 3.08Å; L520-F537 PolarHBondContact N-O 3.41Å; D535-F537 HydrophobicContact CB-CD2 4.24Å; D535-F537 HydrophobicContact CB-CE1 4.36Å; D535-F537 HydrophobicContact CB-CE2 3.49Å; D535-F537 VanDerWaalsContact CB-CE2 3.49Å; D535-F537 HydrophobicContact CB-CZ 3.56Å; D535-F537 WeakPolarHBondContact O-CD2 3.39Å; D535-F537 PolarHBondContact O-N 3Å
538	Y	88.6	Confident	77.1	Confident	54 Å²	54	67.3 Å²	67.3	21%	0.212	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.5	-176.4	-72.3	-79	0	0	0	111.2	I517 E519 V536 C555 R558	I517-Y538 HydrophobicContact CG2-CD1 4.1Å; E519-Y538 HydrophobicContact CB-CE1 4.46Å; V536-Y538 WeakPolarHBondContact CG1-O 3.43Å; Y538-C555 PolarHBondContact O-N 3.14Å; Y538-R558 HydrophobicContact CD1-CB 3.93Å; Y538-R558 HydrophobicContact CD1-CG 4.29Å; Y538-R558 HydrophobicContact CD2-CB 4.15Å; Y538-R558 HydrophobicContact CE1-CB 3.82Å; Y538-R558 HydrophobicContact CE1-CG 4.05Å; Y538-R558 HydrophobicContact CE2-CB 4.06Å; Y538-R558 HydrophobicContact CG-CB 4.09Å
539	A	89.2	Confident	76.6	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	163.2	176.5	0	0	0	0	0	110.8	I517 V518 L520 V552 V553	I517-A539 WeakPolarHBondContact CA-O 3.32Å; V518-A539 HydrophobicContact CG2-CB 3.92Å; V518-A539 PolarHBondContact N-O 3.07Å; V518-A539 PolarHBondContact O-N 2.97Å; V518-A539 VanDerWaalsContact O-N 3.14Å; L520-A539 HydrophobicContact CD1-CB 3.72Å; L520-A539 HydrophobicContact CG-CB 4.05Å; A539-V552 HydrophobicContact CB-CG1 3.56Å; A539-V553 CarbonylContact C-O 3.59Å; A539-V553 WeakPolarHBondContact CA-O 3.39Å; A539-V553 WeakPolarHBondContact CB-O 3.42Å
540	V	87.1	Confident	76.7	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.5	167.8	-179.2	0	0	0	0	108.5	P515 Y516 V542 V553 A561 F564 L565	P515-V540 HydrophobicContact CB-CG1 3.87Å; Y516-V540 WeakPolarHBondContact O-CA 3.49Å; V540-V542 HydrophobicContact CG1-CG1 3.85Å; V540-V553 PolarHBondContact N-O 3.11Å; V540-V553 WeakPolarHBondContact O-CB 3.4Å; V540-V553 PolarHBondContact O-N 2.81Å; V540-A561 HydrophobicContact CG2-CB 3.82Å; V540-A561 VanDerWaalsContact CG2-O 3.24Å; V540-A561 WeakPolarHBondContact CG2-O 3.29Å; V540-F564 HydrophobicContact CB-CD1 3.83Å; V540-F564 HydrophobicContact CB-CE1 4.05Å; V540-F564 HydrophobicContact CG1-CD1 4.23Å; V540-F564 HydrophobicContact CG1-CE1 4.29Å; V540-F564 HydrophobicContact CG2-CD1 3.8Å; V540-L565 HydrophobicContact CG1-CD1 4.02Å; V540-L565 HydrophobicContact CG1-CG 4.05Å; V540-L565 HydrophobicContact CG2-CD1 4.04Å; V540-L565 HydrophobicContact CG2-CG 4.44Å
541	V	85.7	Confident	77	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125	166.7	177.5	0	0	0	0	107.6	L510 P515 Y516 V518 F550 D551 V552 M592	L510-V541 HydrophobicContact CD1-CG1 4.14Å; L510-V541 HydrophobicContact CD1-CG2 4.43Å; P515-V541 WeakPolarHBondContact CA-O 3.31Å; P515-V541 WeakPolarHBondContact CB-O 3.4Å; Y516-V541 HydrophobicContact CD2-CB 4.14Å; Y516-V541 HydrophobicContact CD2-CG2 4.22Å; Y516-V541 HydrophobicContact CE1-CB 4.26Å; Y516-V541 HydrophobicContact CE1-CG1 4.24Å; Y516-V541 HydrophobicContact CE2-CB 3.73Å; Y516-V541 HydrophobicContact CE2-CG1 4.26Å; Y516-V541 HydrophobicContact CE2-CG2 3.63Å; Y516-V541 PolarHBondContact N-O 2.96Å; Y516-V541 PolarHBondContact O-N 3.44Å; V518-V541 HydrophobicContact CG1-CG2 3.69Å; V518-V541 HydrophobicContact CG2-CG2 4.18Å; V541-F550 HydrophobicContact CG1-CB 3.93Å; V541-F550 HydrophobicContact CG1-CD1 3.96Å; V541-F550 HydrophobicContact CG1-CG 4.23Å; V541-D551 WeakPolarHBondContact CA-O 3.18Å; V541-V552 HydrophobicContact CG2-CG2 4.4Å; V541-M592 HydrophobicContact CG2-CE 4.09Å; V541-M592 HydrophobicContact CG2-SD 4.19Å
542	V	84.9	Confident	77.8	Confident	16 Å²	16	53.9 Å²	53.9	10%	0.097	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	151.9	175.8	-55.8	0	0	0	0	110.3	Y488 P515 V540 F550 D551 V553 F564	Y488-V542 HydrophobicContact CE1-CG2 4.13Å; Y488-V542 HydrophobicContact CE2-CG2 4.05Å; Y488-V542 WeakPolarHBondContact OH-CG2 3.07Å; P515-V542 HydrophobicContact CB-CG1 4.3Å; V540-V542 HydrophobicContact CG1-CG1 3.85Å; V542-F550 CarbonylContact O-C 3.51Å; V542-F550 WeakPolarHBondContact O-CA 3.34Å; V542-D551 HydrophobicContact CG2-CB 3.9Å; V542-D551 PolarHBondContact N-O 3.04Å; V542-D551 PolarHBondContact O-N 2.81Å; V542-V553 HydrophobicContact CG1-CG2 4.14Å; V542-V553 HydrophobicContact CG2-CG2 3.68Å; V542-F564 HydrophobicContact CG1-CE1 3.91Å; V542-F564 HydrophobicContact CG1-CZ 4.24Å
543	E	76.9	Confident	78.3	Confident	73 Å²	73	46.2 Å²	46.2	34%	0.341	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.7	168.5	-175.9	171.9	-147.5	0	0	109.5	R548 F550 Y838	E543-R548 WeakPolarHBondContact OE1-CB 3.36Å; E543-F550 HydrophobicContact CB-CD1 4.44Å; E543-F550 HydrophobicContact CB-CE1 4.09Å; E543-F550 HydrophobicContact CG-CE1 4.44Å; E543-Y838 VanDerWaalsContact CD-OH 3.3Å; E543-Y838 WeakPolarHBondContact OE1-CE2 3.45Å; E543-Y838 VanDerWaalsContact OE1-CZ 3.26Å; E543-Y838 PolarHBondContact OE1-OH 2.86Å; E543-Y838 WeakPolarHBondContact OE2-CE2 3.23Å
544	S	69.8	Low	78.9	Confident	3 Å²	3	44 Å²	44	2%	0.021	21%	0.208	C	C	.	.			trans	-78.4	138	176.6	-152.2	0	0	0	0	111.2	R486 Y546 H549 D551	R486-S544 PolarHBondContact NE-OG 3.04Å; R486-S544 VanDerWaalsContact NE-OG 3.17Å; S544-Y546 PolarHBondContact O-N 2.84Å; S544-H549 WeakPolarHBondContact CB-O 3.21Å; S544-H549 PolarHBondContact N-O 3.02Å; S544-D551 VanDerWaalsContact CB-CG 3.45Å; S544-D551 WeakPolarHBondContact CB-OD1 3.33Å; S544-D551 WeakPolarHBondContact CB-OD2 3.36Å; S544-D551 PolarHBondContact OG-OD1 3.48Å; S544-D551 PolarHBondContact OG-OD2 3.43Å
545	N	58.7	Low	79.1	Confident	130 Å²	130	42.3 Å²	42.3	70%	0.695	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.5	168.3	-74.8	-71	0	0	0	112.3	K485	K485-N545 HydrophobicContact CB-CB 4.16Å; K485-N545 HydrophobicContact CD-CB 4.21Å
546	Y	51.7	Low	79.1	Confident	104 Å²	104	41.7 Å²	41.7	41%	0.408	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	120.7	174.1	-163.5	-106.9	0	0	0	110.2	T484 S544 R548 H549	T484-Y546 HydrophobicContact CG2-CD2 4.44Å; T484-Y546 HydrophobicContact CG2-CE2 4.46Å; S544-Y546 PolarHBondContact O-N 2.84Å; Y546-R548 PolarHBondContact O-N 2.75Å; Y546-H549 PolarHBondContact O-N 2.81Å
547	N	52.7	Low	79	Confident	120 Å²	120	43.1 Å²	43.1	64%	0.642	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	12.6	175.8	-63.4	-18.7	0	0	0	117.5	H549	N547-H549 PolarHBondContact O-N 3.27Å
548	R	52.9	Low	78.7	Confident	117 Å²	117	42.1 Å²	42.1	44%	0.442	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	35.4	-168.1	-55.9	-176.6	-175.2	-137.6	0.3	112.8	E543 Y546 Y838	E543-R548 WeakPolarHBondContact OE1-CB 3.36Å; Y546-R548 PolarHBondContact O-N 2.75Å; R548-Y838 VanDerWaalsContact NH1-CE2 3.33Å
549	H	70.4	Confident	78.2	Confident	21 Å²	21	44.8 Å²	44.8	10%	0.097	22%	0.222	C	C	.	.			trans	-72.2	162.5	173.4	-163.4	61.3	0	0	0	111	E503 T504 S544 Y546 N547 D551	E503-H549 IonicContact OE1-CD2 3.23Å; E503-H549 IonicContact OE1-CG 2.74Å; E503-H549 IonicContact OE2-CD2 3.21Å; T504-H549 PolarHBondContact N-NE2 3.12Å; T504-H549 PolarHBondContact O-CE1 2.74Å; T504-H549 VanDerWaalsContact O-CE1 3.23Å; T504-H549 PolarHBondContact O-NE2 2.99Å; S544-H549 WeakPolarHBondContact CB-O 3.21Å; S544-H549 PolarHBondContact N-O 3.02Å; Y546-H549 PolarHBondContact O-N 2.81Å; N547-H549 PolarHBondContact O-N 3.27Å; H549-D551 IonicContact CD2-OD1 3.17Å
550	F	79.5	Confident	77.8	Confident	26 Å²	26	45.6 Å²	45.6	11%	0.114	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	100	174.2	-75	-64.4	0	0	0	109.8	L510 T512 A514 V541 V542 E543	L510-F550 HydrophobicContact CB-CD2 4.47Å; L510-F550 HydrophobicContact CD1-CB 3.88Å; T512-F550 HydrophobicContact CG2-CE2 4.5Å; A514-F550 HydrophobicContact CB-CD1 4.04Å; A514-F550 HydrophobicContact CB-CE1 3.75Å; V541-F550 HydrophobicContact CG1-CB 3.93Å; V541-F550 HydrophobicContact CG1-CD1 3.96Å; V541-F550 HydrophobicContact CG1-CG 4.23Å; V542-F550 CarbonylContact O-C 3.51Å; V542-F550 WeakPolarHBondContact O-CA 3.34Å; E543-F550 HydrophobicContact CB-CD1 4.44Å; E543-F550 HydrophobicContact CB-CE1 4.09Å; E543-F550 HydrophobicContact CG-CE1 4.44Å
551	D	86.6	Confident	77.4	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.011	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.8	179.9	-62.3	-12.9	0	0	0	109.1	R486 Y488 H490 V541 V542 S544 H549	R486-D551 WeakPolarHBondContact CD-OD2 3.43Å; R486-D551 WeakPolarHBondContact CG-OD2 3.46Å; R486-D551 IonicContact CZ-OD1 3.99Å; R486-D551 IonicContact CZ-OD2 2.56Å; R486-D551 VanDerWaalsContact NE-CG 3.28Å; R486-D551 IonicContact NE-OD1 2.82Å; R486-D551 PolarHBondContact NE-OD1 3.49Å; R486-D551 VanDerWaalsContact NE-OD1 3.13Å; R486-D551 IonicContact NE-OD2 3.19Å; R486-D551 PolarHBondContact NE-OD2 3.16Å; R486-D551 IonicContact NH2-OD1 2.74Å; R486-D551 PolarHBondContact NH2-OD1 2.78Å; R486-D551 IonicContact NH2-OD2 3.6Å; Y488-D551 HydrophobicContact CE2-CB 4.02Å; Y488-D551 WeakPolarHBondContact CE2-OD2 3.48Å; H490-D551 HydrophobicContact CB-CB 4.06Å; V541-D551 WeakPolarHBondContact CA-O 3.18Å; V542-D551 HydrophobicContact CG2-CB 3.9Å; V542-D551 PolarHBondContact N-O 3.04Å; V542-D551 PolarHBondContact O-N 2.81Å; S544-D551 VanDerWaalsContact CB-CG 3.45Å; S544-D551 WeakPolarHBondContact CB-OD1 3.33Å; S544-D551 WeakPolarHBondContact CB-OD2 3.36Å; S544-D551 PolarHBondContact OG-OD1 3.48Å; S544-D551 PolarHBondContact OG-OD2 3.43Å; H549-D551 IonicContact CD2-OD1 3.17Å
552	V	89.5	Confident	76.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	109.4	173.1	-179	0	0	0	0	107.9	W477 H490 L491 W506 L520 A539 V541 M592	W477-V552 HydrophobicContact CH2-CG1 4.45Å; W477-V552 WeakPolarHBondContact CZ3-O 3.13Å; H490-V552 WeakPolarHBondContact CA-O 3.39Å; L491-V552 HydrophobicContact CB-CB 4.13Å; L491-V552 PolarHBondContact N-O 3.01Å; W506-V552 HydrophobicContact CZ2-CG2 3.75Å; L520-V552 HydrophobicContact CD1-CG1 4.18Å; L520-V552 HydrophobicContact CD2-CG1 4.23Å; A539-V552 HydrophobicContact CB-CG1 3.56Å; V541-V552 HydrophobicContact CG2-CG2 4.4Å; V552-M592 HydrophobicContact CG2-CE 3.64Å
553	V	91	Very high	76.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.3	-175.3	179.3	0	0	0	0	110.5	Y488 A539 V540 V542 F564 T573	Y488-V553 HydrophobicContact CD1-CG2 4.22Å; Y488-V553 HydrophobicContact CD2-CG2 3.53Å; Y488-V553 HydrophobicContact CE2-CG2 3.93Å; Y488-V553 HydrophobicContact CG-CG1 4.2Å; Y488-V553 HydrophobicContact CG-CG2 3.69Å; A539-V553 CarbonylContact C-O 3.59Å; A539-V553 WeakPolarHBondContact CA-O 3.39Å; A539-V553 WeakPolarHBondContact CB-O 3.42Å; V540-V553 PolarHBondContact N-O 3.11Å; V540-V553 WeakPolarHBondContact O-CB 3.4Å; V540-V553 PolarHBondContact O-N 2.81Å; V542-V553 HydrophobicContact CG1-CG2 4.14Å; V542-V553 HydrophobicContact CG2-CG2 3.68Å; V553-F564 HydrophobicContact CB-CE1 3.94Å; V553-F564 HydrophobicContact CG1-CD1 4.3Å; V553-F564 HydrophobicContact CG1-CE1 3.67Å; V553-F564 HydrophobicContact CG1-CZ 4.18Å; V553-F564 HydrophobicContact CG2-CE1 4.19Å; V553-T573 HydrophobicContact CG1-CG2 3.59Å
554	P	93.2	Very high	76.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	139.2	-175.6	31	-33.6	0	0	0	112	W477 S489 L526 V536 L574	W477-P554 HydrophobicContact CD2-CB 4.31Å; W477-P554 HydrophobicContact CD2-CG 4.26Å; W477-P554 HydrophobicContact CE3-CB 3.97Å; W477-P554 HydrophobicContact CE3-CG 3.71Å; W477-P554 HydrophobicContact CH2-CB 3.79Å; W477-P554 HydrophobicContact CH2-CG 4.39Å; W477-P554 HydrophobicContact CZ2-CB 4.13Å; W477-P554 HydrophobicContact CZ3-CB 3.7Å; W477-P554 HydrophobicContact CZ3-CG 3.79Å; S489-P554 WeakPolarHBondContact O-CD 3.01Å; L526-P554 HydrophobicContact CD1-CB 3.84Å; L526-P554 HydrophobicContact CD1-CG 3.51Å; V536-P554 HydrophobicContact CB-CB 4.49Å; V536-P554 HydrophobicContact CG1-CB 3.6Å; V536-P554 HydrophobicContact CG2-CB 4.09Å; P554-L574 HydrophobicContact CB-CB 4.14Å; P554-L574 HydrophobicContact CB-CD1 4.42Å; P554-L574 HydrophobicContact CG-CB 4.08Å; P554-L574 WeakPolarHBondContact CG-O 3.45Å; P554-L574 PolarHBondContact O-N 2.91Å
555	C	89.9	Confident	76.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.8	179.2	-67	0	0	0	0	111.2	Y538 S557 A560 A561	Y538-C555 PolarHBondContact O-N 3.14Å; C555-S557 VanDerWaalsContact C-N 3.26Å; C555-S557 PolarHBondContact O-N 3.39Å; C555-A560 HydrophobicContact CB-CB 4.28Å; C555-A561 HydrophobicContact CB-CB 3.75Å
556	A	86.2	Confident	76.8	Confident	73 Å²	73	51.4 Å²	51.4	60%	0.603	26%	0.255	S	S	*	.	S	Bend	trans	-63.6	-31.5	-175.5	0	0	0	0	0	113.5	A560 L574	A556-A560 HydrophobicContact CB-CB 4.19Å; A556-L574 HydrophobicContact CB-CD2 3.81Å; A556-L574 HydrophobicContact CB-CG 4.44Å
557	S	86.1	Confident	77.8	Confident	37 Å²	37	49.5 Å²	49.5	26%	0.259	26%	0.257	S	S	.	.	S	Bend	trans	-157.1	-179.9	178	80.3	0	0	0	0	110.4	C555 E559 A560 A561	C555-S557 VanDerWaalsContact C-N 3.26Å; C555-S557 PolarHBondContact O-N 3.39Å; S557-E559 WeakPolarHBondContact CB-OE2 3.44Å; S557-E559 PolarHBondContact O-N 3Å; S557-E559 PolarHBondContact OG-N 2.85Å; S557-E559 VanDerWaalsContact OG-N 3.15Å; S557-E559 PolarHBondContact OG-OE2 2.75Å; S557-A560 PolarHBondContact O-N 2.81Å; S557-A560 PolarHBondContact OG-N 3.18Å; S557-A561 WeakPolarHBondContact O-CB 3.32Å; S557-A561 PolarHBondContact O-N 3.39Å
558	R	81.2	Confident	78.7	Confident	106 Å²	106	46.3 Å²	46.3	40%	0.4	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-33.7	172.7	-176	-175.9	175.8	-151.9	-1.9	111.9	Y538 A561 Y562 K613	Y538-R558 HydrophobicContact CD1-CB 3.93Å; Y538-R558 HydrophobicContact CD1-CG 4.29Å; Y538-R558 HydrophobicContact CD2-CB 4.15Å; Y538-R558 HydrophobicContact CE1-CB 3.82Å; Y538-R558 HydrophobicContact CE1-CG 4.05Å; Y538-R558 HydrophobicContact CE2-CB 4.06Å; Y538-R558 HydrophobicContact CG-CB 4.09Å; R558-A561 PolarHBondContact O-N 3.34Å; R558-Y562 WeakPolarHBondContact O-CB 3.48Å; R558-Y562 PolarHBondContact O-N 3.1Å; R558-K613 PolarHBondContact NH1-O 3.37Å
559	E	79.3	Confident	79.9	Confident	110 Å²	110	44.4 Å²	44.4	51%	0.514	25%	0.251	S	S	.	.	H	α-helix	trans	-71	-42.8	179.8	-59.2	64.3	-136.6	0	0	110.2	S557 Y562 A563	S557-E559 WeakPolarHBondContact CB-OE2 3.44Å; S557-E559 PolarHBondContact O-N 3Å; S557-E559 PolarHBondContact OG-N 2.85Å; S557-E559 VanDerWaalsContact OG-N 3.15Å; S557-E559 PolarHBondContact OG-OE2 2.75Å; E559-Y562 PolarHBondContact O-N 3.26Å; E559-A563 WeakPolarHBondContact O-CB 3.36Å; E559-A563 PolarHBondContact O-N 2.76Å
560	A	79.4	Confident	80.3	Confident	18 Å²	18	47.5 Å²	47.5	15%	0.149	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-42.5	171.6	0	0	0	0	0	111.8	C555 A556 S557 Y562 A563 F564	C555-A560 HydrophobicContact CB-CB 4.28Å; A556-A560 HydrophobicContact CB-CB 4.19Å; S557-A560 PolarHBondContact O-N 2.81Å; S557-A560 PolarHBondContact OG-N 3.18Å; A560-Y562 VanDerWaalsContact C-N 3.25Å; A560-Y562 PolarHBondContact O-N 3.48Å; A560-A563 PolarHBondContact O-N 3.47Å; A560-F564 PolarHBondContact O-N 3.01Å
561	A	79.2	Confident	80.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-32	174	0	0	0	0	0	113	I517 V540 C555 S557 R558 L565	I517-A561 HydrophobicContact CD1-CB 4.14Å; I517-A561 HydrophobicContact CG1-CB 4.14Å; I517-A561 HydrophobicContact CG2-CB 4.02Å; V540-A561 HydrophobicContact CG2-CB 3.82Å; V540-A561 VanDerWaalsContact CG2-O 3.24Å; V540-A561 WeakPolarHBondContact CG2-O 3.29Å; C555-A561 HydrophobicContact CB-CB 3.75Å; S557-A561 WeakPolarHBondContact O-CB 3.32Å; S557-A561 PolarHBondContact O-N 3.39Å; R558-A561 PolarHBondContact O-N 3.34Å; A561-L565 WeakPolarHBondContact O-CB 3.49Å; A561-L565 PolarHBondContact O-N 2.85Å
562	Y	74.2	Confident	80.1	Confident	123 Å²	123	53.9 Å²	53.9	48%	0.482	31%	0.305	S	S	.	.	H	α-helix	trans	-78.8	-35	175.4	-171.8	-106.6	0	0	0	112.5	I517 R558 E559 A560 L565 I566	I517-Y562 HydrophobicContact CD1-CD2 4.25Å; R558-Y562 WeakPolarHBondContact O-CB 3.48Å; R558-Y562 PolarHBondContact O-N 3.1Å; E559-Y562 PolarHBondContact O-N 3.26Å; A560-Y562 VanDerWaalsContact C-N 3.25Å; A560-Y562 PolarHBondContact O-N 3.48Å; Y562-L565 PolarHBondContact O-N 3.46Å; Y562-I566 HydrophobicContact CD1-CD1 3.85Å; Y562-I566 HydrophobicContact CE1-CD1 3.38Å; Y562-I566 HydrophobicContact CE2-CD1 4.29Å; Y562-I566 HydrophobicContact CG-CD1 4.49Å; Y562-I566 WeakPolarHBondContact O-CG1 3.38Å; Y562-I566 PolarHBondContact O-N 3.34Å
563	A	71.8	Confident	80	Confident	32 Å²	32	54.5 Å²	54.5	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-62.4	-54.9	173.5	0	0	0	0	0	110.5	E559 A560 L565 I566 S567 D572	E559-A563 WeakPolarHBondContact O-CB 3.36Å; E559-A563 PolarHBondContact O-N 2.76Å; A560-A563 PolarHBondContact O-N 3.47Å; A563-L565 PolarHBondContact O-N 3.29Å; A563-L565 VanDerWaalsContact O-N 3.12Å; A563-I566 WeakPolarHBondContact O-CA 3.13Å; A563-I566 PolarHBondContact O-N 3.21Å; A563-S567 WeakPolarHBondContact O-CB 3.32Å; A563-S567 PolarHBondContact O-N 3.38Å; A563-S567 PolarHBondContact O-OG 2.96Å; A563-D572 VanDerWaalsContact C-OD2 3.27Å; A563-D572 HydrophobicContact CB-CB 4.17Å; A563-D572 VanDerWaalsContact CB-CG 3.41Å; A563-D572 VanDerWaalsContact CB-OD1 3.31Å; A563-D572 WeakPolarHBondContact CB-OD1 2.96Å; A563-D572 WeakPolarHBondContact CB-OD2 3.19Å
564	F	82.5	Confident	79.9	Confident	18 Å²	18	55.4 Å²	55.4	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-52	-38.1	175.7	179	-136.5	0	0	0	112.8	Y488 V540 V542 V553 A560 I566 S567 G568 D569 D572 T573	Y488-F564 HydrophobicContact CD1-CZ 4.19Å; V540-F564 HydrophobicContact CB-CD1 3.83Å; V540-F564 HydrophobicContact CB-CE1 4.05Å; V540-F564 HydrophobicContact CG1-CD1 4.23Å; V540-F564 HydrophobicContact CG1-CE1 4.29Å; V540-F564 HydrophobicContact CG2-CD1 3.8Å; V542-F564 HydrophobicContact CG1-CE1 3.91Å; V542-F564 HydrophobicContact CG1-CZ 4.24Å; V553-F564 HydrophobicContact CB-CE1 3.94Å; V553-F564 HydrophobicContact CG1-CD1 4.3Å; V553-F564 HydrophobicContact CG1-CE1 3.67Å; V553-F564 HydrophobicContact CG1-CZ 4.18Å; V553-F564 HydrophobicContact CG2-CE1 4.19Å; A560-F564 PolarHBondContact O-N 3.01Å; F564-I566 VanDerWaalsContact C-N 3.29Å; F564-I566 PolarHBondContact O-N 3.25Å; F564-S567 WeakPolarHBondContact CA-OG 3.14Å; F564-G568 WeakPolarHBondContact O-CA 3.2Å; F564-G568 PolarHBondContact O-N 2.86Å; F564-D569 WeakPolarHBondContact CD2-O 3.45Å; F564-D572 HydrophobicContact CB-CB 3.66Å; F564-D572 PolarHBondContact N-OD2 3.43Å; F564-T573 HydrophobicContact CB-CG2 4.33Å; F564-T573 HydrophobicContact CD1-CG2 3.72Å; F564-T573 HydrophobicContact CD2-CG2 3.61Å; F564-T573 HydrophobicContact CE1-CG2 3.85Å; F564-T573 HydrophobicContact CE2-CG2 3.73Å; F564-T573 HydrophobicContact CG-CG2 3.62Å; F564-T573 HydrophobicContact CZ-CG2 3.85Å
565	L	71.5	Confident	79.4	Confident	51 Å²	51	58.3 Å²	58.3	27%	0.267	33%	0.329	S	S	.	.	H	α-helix	trans	-68.9	-21.3	178.1	-115.7	154.3	0	0	0	114.7	P515 I517 V540 A561 Y562 A563	P515-L565 HydrophobicContact CB-CD2 3.96Å; P515-L565 HydrophobicContact CB-CG 4.4Å; P515-L565 HydrophobicContact CG-CD2 3.66Å; P515-L565 HydrophobicContact CG-CG 4.49Å; I517-L565 HydrophobicContact CD1-CD1 4.18Å; I517-L565 HydrophobicContact CG1-CD1 3.38Å; V540-L565 HydrophobicContact CG1-CD1 4.02Å; V540-L565 HydrophobicContact CG1-CG 4.05Å; V540-L565 HydrophobicContact CG2-CD1 4.04Å; V540-L565 HydrophobicContact CG2-CG 4.44Å; A561-L565 WeakPolarHBondContact O-CB 3.49Å; A561-L565 PolarHBondContact O-N 2.85Å; Y562-L565 PolarHBondContact O-N 3.46Å; A563-L565 PolarHBondContact O-N 3.29Å; A563-L565 VanDerWaalsContact O-N 3.12Å
566	I	63.4	Low	79	Confident	120 Å²	120	58.6 Å²	58.6	62%	0.615	33%	0.331	S	S	*	.	H	α-helix	trans	-101.5	-43.2	179.4	-70.5	174.6	0	0	0	111	Y562 A563 F564	Y562-I566 HydrophobicContact CD1-CD1 3.85Å; Y562-I566 HydrophobicContact CE1-CD1 3.38Å; Y562-I566 HydrophobicContact CE2-CD1 4.29Å; Y562-I566 HydrophobicContact CG-CD1 4.49Å; Y562-I566 WeakPolarHBondContact O-CG1 3.38Å; Y562-I566 PolarHBondContact O-N 3.34Å; A563-I566 WeakPolarHBondContact O-CA 3.13Å; A563-I566 PolarHBondContact O-N 3.21Å; F564-I566 VanDerWaalsContact C-N 3.29Å; F564-I566 PolarHBondContact O-N 3.25Å
567	S	72.3	Confident	78.2	Confident	64 Å²	64	61.1 Å²	61.1	45%	0.448	33%	0.33	S	S	.	.	H	α-helix	trans	-76.5	-39	-177.4	62.5	0	0	0	0	112	A563 F564 D569 D572	A563-S567 WeakPolarHBondContact O-CB 3.32Å; A563-S567 PolarHBondContact O-N 3.38Å; A563-S567 PolarHBondContact O-OG 2.96Å; F564-S567 WeakPolarHBondContact CA-OG 3.14Å; S567-D569 PolarHBondContact O-N 2.68Å; S567-D569 WeakPolarHBondContact OG-CB 3.35Å; S567-D569 PolarHBondContact OG-N 3.37Å; S567-D572 WeakPolarHBondContact CB-OD2 3.14Å; S567-D572 PolarHBondContact OG-OD2 3.29Å
568	G	73.3	Confident	77.1	Confident	53 Å²	53	61.5 Å²	61.5	55%	0.546	33%	0.331	S	S	.	.			trans	66.9	10.2	-160.4	0	0	0	0	0	113.2	F564	F564-G568 WeakPolarHBondContact O-CA 3.2Å; F564-G568 PolarHBondContact O-N 2.86Å
569	D	77.4	Confident	76.3	Confident	77 Å²	77	63.4 Å²	63.4	41%	0.412	34%	0.344	S	S	.	.			trans	-87.9	121.8	-172.8	-166.2	-43	0	0	0	110.5	F564 S567 T571 D572	F564-D569 WeakPolarHBondContact CD2-O 3.45Å; S567-D569 PolarHBondContact O-N 2.68Å; S567-D569 WeakPolarHBondContact OG-CB 3.35Å; S567-D569 PolarHBondContact OG-N 3.37Å; D569-T571 VanDerWaalsContact CG-OG1 3.24Å; D569-T571 PolarHBondContact O-N 3.35Å; D569-T571 VanDerWaalsContact O-N 3.14Å; D569-T571 VanDerWaalsContact OD1-CB 3.31Å; D569-T571 WeakPolarHBondContact OD1-CB 3.21Å; D569-T571 WeakPolarHBondContact OD1-CG2 3.26Å; D569-T571 PolarHBondContact OD1-N 2.93Å; D569-T571 PolarHBondContact OD1-OG1 3.47Å; D569-D572 PolarHBondContact O-N 2.88Å; D569-D572 VanDerWaalsContact O-N 3.13Å
570	E	78	Confident	75.4	Confident	86 Å²	86	60 Å²	60	40%	0.402	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-63.1	-19	-178.1	-66.5	155.1	-162.6	0	0	112.8	P487 D572 T573	P487-E570 VanDerWaalsContact CB-CD 3.48Å; P487-E570 HydrophobicContact CB-CG 4.46Å; P487-E570 VanDerWaalsContact CB-OE1 3.26Å; P487-E570 WeakPolarHBondContact CB-OE1 3.44Å; P487-E570 WeakPolarHBondContact CB-OE2 3.4Å; P487-E570 HydrophobicContact CG-CG 4.25Å; P487-E570 WeakPolarHBondContact CG-OE1 3.41Å; E570-D572 PolarHBondContact O-N 3.07Å; E570-T573 WeakPolarHBondContact O-CB 2.99Å; E570-T573 PolarHBondContact O-N 2.87Å; E570-T573 PolarHBondContact O-OG1 3.16Å
571	T	81.3	Confident	74.5	Confident	117 Å²	117	64.8 Å²	64.8	72%	0.718	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-69.8	-17	175.9	62.8	0	0	0	0	113.9	D569 T573	D569-T571 VanDerWaalsContact CG-OG1 3.24Å; D569-T571 PolarHBondContact O-N 3.35Å; D569-T571 VanDerWaalsContact O-N 3.14Å; D569-T571 VanDerWaalsContact OD1-CB 3.31Å; D569-T571 WeakPolarHBondContact OD1-CB 3.21Å; D569-T571 WeakPolarHBondContact OD1-CG2 3.26Å; D569-T571 PolarHBondContact OD1-N 2.93Å; D569-T571 PolarHBondContact OD1-OG1 3.47Å; T571-T573 PolarHBondContact O-N 3.1Å
572	D	80.7	Confident	73.6	Confident	46 Å²	46	66.8 Å²	66.8	25%	0.246	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-77.9	-0.5	169.6	-71.7	-48.4	0	0	0	112.7	A563 F564 S567 D569 E570	A563-D572 VanDerWaalsContact C-OD2 3.27Å; A563-D572 HydrophobicContact CB-CB 4.17Å; A563-D572 VanDerWaalsContact CB-CG 3.41Å; A563-D572 VanDerWaalsContact CB-OD1 3.31Å; A563-D572 WeakPolarHBondContact CB-OD1 2.96Å; A563-D572 WeakPolarHBondContact CB-OD2 3.19Å; F564-D572 HydrophobicContact CB-CB 3.66Å; F564-D572 PolarHBondContact N-OD2 3.43Å; S567-D572 WeakPolarHBondContact CB-OD2 3.14Å; S567-D572 PolarHBondContact OG-OD2 3.29Å; D569-D572 PolarHBondContact O-N 2.88Å; D569-D572 VanDerWaalsContact O-N 3.13Å; E570-D572 PolarHBondContact O-N 3.07Å
573	T	87.9	Confident	72.9	Confident	12 Å²	12	62 Å²	62	7%	0.074	35%	0.353	C	S	.	.	S	Bend	trans	-109.2	159.1	-176.9	79.4	0	0	0	0	112.9	V553 F564 E570 T571	V553-T573 HydrophobicContact CG1-CG2 3.59Å; F564-T573 HydrophobicContact CB-CG2 4.33Å; F564-T573 HydrophobicContact CD1-CG2 3.72Å; F564-T573 HydrophobicContact CD2-CG2 3.61Å; F564-T573 HydrophobicContact CE1-CG2 3.85Å; F564-T573 HydrophobicContact CE2-CG2 3.73Å; F564-T573 HydrophobicContact CG-CG2 3.62Å; F564-T573 HydrophobicContact CZ-CG2 3.85Å; E570-T573 WeakPolarHBondContact O-CB 2.99Å; E570-T573 PolarHBondContact O-N 2.87Å; E570-T573 PolarHBondContact O-OG1 3.16Å; T571-T573 PolarHBondContact O-N 3.1Å
574	L	88.3	Confident	72.7	Confident	20 Å²	20	63.4 Å²	63.4	11%	0.105	36%	0.356	C	S	.	.			trans	-86	127.4	173.8	-62.9	-179.4	0	0	0	110.9	S489 L526 L528 V536 P554 A556	S489-L574 WeakPolarHBondContact CB-O 3.46Å; S489-L574 PolarHBondContact OG-O 2.82Å; L526-L574 HydrophobicContact CD1-CB 3.67Å; L526-L574 HydrophobicContact CD1-CD1 4.44Å; L526-L574 HydrophobicContact CD2-CB 4.05Å; L526-L574 HydrophobicContact CG-CB 4.5Å; L528-L574 HydrophobicContact CD2-CD2 4.3Å; V536-L574 HydrophobicContact CG2-CD1 4.1Å; P554-L574 HydrophobicContact CB-CB 4.14Å; P554-L574 HydrophobicContact CB-CD1 4.42Å; P554-L574 HydrophobicContact CG-CB 4.08Å; P554-L574 WeakPolarHBondContact CG-O 3.45Å; P554-L574 PolarHBondContact O-N 2.91Å; A556-L574 HydrophobicContact CB-CD2 3.81Å; A556-L574 HydrophobicContact CB-CG 4.44Å
575	I	84.4	Confident	72.1	Confident	61 Å²	61	63.7 Å²	63.7	31%	0.313	36%	0.36	S	S	.	.			trans	-102.8	109.5	-179.6	-57.3	180	0	0	0	110.8	P480 S489 Q577	P480-I575 HydrophobicContact CG-CG2 3.93Å; S489-I575 WeakPolarHBondContact OG-CA 3.48Å; I575-Q577 HydrophobicContact CG2-CG 3.99Å
576	S	79.8	Confident	71.9	Confident	7 Å²	7	64 Å²	64	5%	0.049	37%	0.366	C	S	.	.			trans	-69.7	121.2	164.8	-176.9	0	0	0	0	109.5	W477 K479 S489	W477-S576 WeakPolarHBondContact O-CB 3.48Å; W477-S576 PolarHBondContact O-OG 2.93Å; K479-S576 WeakPolarHBondContact CA-O 3.48Å; K479-S576 WeakPolarHBondContact CB-O 3.43Å; S489-S576 PolarHBondContact OG-N 3.41Å
577	Q	69.2	Low	71.8	Confident	126 Å²	126	58.6 Å²	58.6	59%	0.589	34%	0.339	S	S	*	.			trans	-113.7	-5	173.5	-68.2	-168	5.3	0	0	113.5	P529 I575	P529-Q577 HydrophobicContact CG-CB 4.38Å; P529-Q577 HydrophobicContact CG-CG 3.94Å; I575-Q577 HydrophobicContact CG2-CG 3.99Å
578	V	63.2	Low	71.2	Confident	45 Å²	45	63.4 Å²	63.4	27%	0.273	35%	0.347	S	S	.	.	S	Bend	trans	-92.4	156.2	-173.9	-168.3	0	0	0	0	111.3	K527 A582	K527-V578 HydrophobicContact CB-CB 4.09Å; K527-V578 HydrophobicContact CB-CG2 3.63Å; K527-V578 HydrophobicContact CD-CB 4.38Å; K527-V578 HydrophobicContact CD-CG1 4.16Å; K527-V578 HydrophobicContact CD-CG2 4.09Å; V578-A582 HydrophobicContact CB-CB 4.39Å; V578-A582 HydrophobicContact CG1-CB 3.55Å
579	E	65.5	Low	71.1	Confident	146 Å²	146	66 Å²	66	68%	0.682	34%	0.344	S	S	*	.			trans	-66.1	154	178	-63.6	-165.8	146.4	0	0	113.1	H581 A582	E579-H581 PolarHBondContact O-N 3.26Å; E579-A582 WeakPolarHBondContact O-CB 3.45Å; E579-A582 PolarHBondContact O-N 3.13Å
580	P	60.2	Low	71.1	Confident	37 Å²	37	62.4 Å²	62.4	24%	0.24	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-55.9	-31.4	-165.4	-29.5	37.3	0	0	0	115.8	F476 L494 A582 L584	F476-P580 HydrophobicContact CD2-CB 3.66Å; F476-P580 HydrophobicContact CD2-CG 4.2Å; F476-P580 HydrophobicContact CE2-CB 3.62Å; F476-P580 HydrophobicContact CE2-CG 3.69Å; F476-P580 HydrophobicContact CG-CB 4.21Å; F476-P580 HydrophobicContact CZ-CB 4.15Å; F476-P580 HydrophobicContact CZ-CG 4.19Å; L494-P580 HydrophobicContact CD1-CB 3.83Å; L494-P580 HydrophobicContact CD1-CG 4.26Å; L494-P580 HydrophobicContact CD2-CB 3.59Å; L494-P580 HydrophobicContact CG-CB 4.22Å; P580-A582 PolarHBondContact O-N 3.35Å; P580-A582 VanDerWaalsContact O-N 3.15Å; P580-L584 WeakPolarHBondContact O-CD2 3.3Å
581	H	60.9	Low	71.2	Confident	119 Å²	119	58.6 Å²	58.6	55%	0.551	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-69.7	-7.8	-173.7	-52.7	-69.3	0	0	0	114.9	E579	E579-H581 PolarHBondContact O-N 3.26Å
582	A	58.8	Low	71.1	Confident	43 Å²	43	53 Å²	53	36%	0.355	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-83.9	-14.7	-164	0	0	0	0	0	116.2	K527 V578 E579 P580	K527-A582 HydrophobicContact CD-CB 3.89Å; V578-A582 HydrophobicContact CB-CB 4.39Å; V578-A582 HydrophobicContact CG1-CB 3.55Å; E579-A582 WeakPolarHBondContact O-CB 3.45Å; E579-A582 PolarHBondContact O-N 3.13Å; P580-A582 PolarHBondContact O-N 3.35Å; P580-A582 VanDerWaalsContact O-N 3.15Å
583	A	60.7	Low	70.9	Confident	23 Å²	23	51.9 Å²	51.9	19%	0.19	27%	0.267	C	S	.	.	S	Bend	trans	-161	75.5	-179.3	0	0	0	0	0	112	P524 Q525	P524-A583 VanDerWaalsContact CB-O 3.25Å; P524-A583 WeakPolarHBondContact CB-O 3.27Å; Q525-A583 HydrophobicContact CB-CB 4.25Å; Q525-A583 WeakPolarHBondContact O-CB 3.41Å
584	L	67.8	Low	69.7	Low	61 Å²	61	52.6 Å²	52.6	32%	0.319	27%	0.27	S	S	.	.			trans	-90.9	134	-173.1	-60.3	174.6	0	0	0	112.2	V474 F476 L494 E496 P580	V474-L584 HydrophobicContact CB-CB 4.36Å; V474-L584 HydrophobicContact CB-CD2 4.37Å; V474-L584 HydrophobicContact CG2-CB 4.39Å; V474-L584 HydrophobicContact CG2-CD1 4.06Å; V474-L584 HydrophobicContact CG2-CD2 3.65Å; V474-L584 HydrophobicContact CG2-CG 4.23Å; F476-L584 HydrophobicContact CB-CD2 3.98Å; L494-L584 HydrophobicContact CD2-CD2 4.11Å; E496-L584 WeakPolarHBondContact OE1-CD1 3.22Å; P580-L584 WeakPolarHBondContact O-CD2 3.3Å
585	S	70	Confident	68	Low	23 Å²	23	55.8 Å²	55.8	16%	0.161	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	149	170.9	-171.5	0	0	0	0	111.8	L475 N522 A587	L475-S585 PolarHBondContact N-O 3.22Å; L475-S585 PolarHBondContact O-N 3.39Å; N522-S585 PolarHBondContact O-OG 3.09Å; N522-S585 VanDerWaalsContact O-OG 3.13Å; S585-A587 PolarHBondContact O-N 3.31Å
586	C	66.7	Low	65.9	Low	58 Å²	58	61.2 Å²	61.2	39%	0.392	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	114.4	-177.6	-151.5	0	0	0	0	109.9	W588 K589	C586-W588 VanDerWaalsContact C-N 3.28Å; C586-W588 PolarHBondContact O-N 2.76Å; C586-W588 PolarHBondContact SG-NE1 2.7Å; C586-K589 PolarHBondContact O-N 2.73Å
587	A	60.8	Low	63.6	Low	6 Å²	6	66.5 Å²	66.5	5%	0.05	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-41.1	-46.4	-163.8	0	0	0	0	0	116.4	L475 F493 S585 K589 T590	L475-A587 HydrophobicContact CD1-CB 4.44Å; L475-A587 HydrophobicContact CG-CB 4.28Å; F493-A587 HydrophobicContact CD1-CB 4.45Å; F493-A587 HydrophobicContact CE1-CB 3.8Å; S585-A587 PolarHBondContact O-N 3.31Å; A587-K589 PolarHBondContact O-N 3.35Å; A587-T590 PolarHBondContact O-N 3.13Å
588	W	60.5	Low	61.6	Low	165 Å²	165	68.4 Å²	68.4	63%	0.625	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-76.4	-1.5	-173.7	55	-84.3	0	0	0	114.8	C586	C586-W588 VanDerWaalsContact C-N 3.28Å; C586-W588 PolarHBondContact O-N 2.76Å; C586-W588 PolarHBondContact SG-NE1 2.7Å
589	K	71.4	Confident	59.7	Low	109 Å²	109	72.4 Å²	72.4	47%	0.474	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-94.8	-23.9	174.8	-64.2	-171.9	178.5	-177.3	0	113.2	N522 C586 A587	N522-K589 HydrophobicContact CB-CB 4.18Å; N522-K589 WeakPolarHBondContact CB-O 3.5Å; N522-K589 PolarHBondContact ND2-O 3.18Å; C586-K589 PolarHBondContact O-N 2.73Å; A587-K589 PolarHBondContact O-N 3.35Å
590	T	76.8	Confident	58	Low	0 Å²	0	71 Å²	71	0%	0	35%	0.347	C	S	.	.			trans	-78.3	125.8	-177.1	-53.7	0	0	0	0	110.7	V462 L475 L491 W506 R521 N522 A523 A587	V462-T590 HydrophobicContact CG2-CG2 4.26Å; V462-T590 PolarHBondContact N-O 3.07Å; V462-T590 VanDerWaalsContact N-O 3.16Å; L475-T590 HydrophobicContact CD1-CG2 4.18Å; L475-T590 VanDerWaalsContact CD1-OG1 3.29Å; L475-T590 WeakPolarHBondContact CD1-OG1 3.27Å; L491-T590 HydrophobicContact CD2-CG2 4.45Å; W506-T590 HydrophobicContact CH2-CG2 4.38Å; R521-T590 WeakPolarHBondContact O-CA 3.46Å; N522-T590 PolarHBondContact O-OG1 2.66Å; A523-T590 HydrophobicContact CB-CG2 4.41Å; A587-T590 PolarHBondContact O-N 3.13Å
591	S	79.3	Confident	56.2	Low	7 Å²	7	73.8 Å²	73.8	5%	0.049	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	160.9	173.8	62.3	0	0	0	0	110.9	E459 H460 R521	E459-S591 WeakPolarHBondContact OE1-CB 3.39Å; E459-S591 PolarHBondContact OE1-OG 3.04Å; H460-S591 CarbonylContact O-C 3.5Å; H460-S591 WeakPolarHBondContact O-CA 3.26Å; R521-S591 WeakPolarHBondContact CB-OG 3.31Å; R521-S591 PolarHBondContact N-O 3.2Å; R521-S591 PolarHBondContact O-N 2.64Å; R521-S591 VanDerWaalsContact O-N 3.09Å
592	M	80.9	Confident	54.6	Low	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.5	171.4	72.6	161.4	77.9	0	0	111.6	H460 W506 L510 V518 E519 L520 V541 V552 I594	H460-M592 HydrophobicContact CB-CG 3.74Å; H460-M592 PolarHBondContact N-O 3.25Å; H460-M592 PolarHBondContact O-N 2.7Å; W506-M592 HydrophobicContact CD2-CE 3.75Å; W506-M592 HydrophobicContact CE3-CE 3.81Å; W506-M592 HydrophobicContact CE3-CG 4.06Å; W506-M592 HydrophobicContact CH2-CB 4.47Å; W506-M592 HydrophobicContact CH2-CE 3.55Å; W506-M592 HydrophobicContact CH2-CG 4.46Å; W506-M592 HydrophobicContact CZ2-CE 3.48Å; W506-M592 VanDerWaalsContact CZ2-CE 3.48Å; W506-M592 HydrophobicContact CZ3-CB 4.09Å; W506-M592 HydrophobicContact CZ3-CE 3.71Å; W506-M592 HydrophobicContact CZ3-CG 3.85Å; L510-M592 HydrophobicContact CD1-CE 4.09Å; L510-M592 HydrophobicContact CD2-CE 3.83Å; L510-M592 HydrophobicContact CD2-CG 4.45Å; L510-M592 HydrophobicContact CD2-SD 3.47Å; L510-M592 WeakPolarHBondContact CD2-SD 3.32Å; V518-M592 HydrophobicContact CB-CB 4.3Å; V518-M592 HydrophobicContact CB-SD 3.98Å; V518-M592 HydrophobicContact CG1-SD 3.67Å; V518-M592 HydrophobicContact CG2-CB 4.37Å; V518-M592 HydrophobicContact CG2-CE 4.42Å; V518-M592 HydrophobicContact CG2-SD 4.07Å; E519-M592 CarbonylContact O-C 3.56Å; E519-M592 VanDerWaalsContact O-CA 3.28Å; E519-M592 WeakPolarHBondContact O-CA 3.35Å; L520-M592 HydrophobicContact CD2-CB 3.65Å; V541-M592 HydrophobicContact CG2-CE 4.09Å; V541-M592 HydrophobicContact CG2-SD 4.19Å; V552-M592 HydrophobicContact CG2-CE 3.64Å; M592-I594 HydrophobicContact SD-CG1 4.21Å
593	L	76.1	Confident	53	Low	22 Å²	22	73.1 Å²	73.1	12%	0.115	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.4	168.3	-58.3	-178.2	0	0	0	109.3	V457 E459 V518 E519 K595	V457-L593 HydrophobicContact CG1-CB 4.13Å; V457-L593 HydrophobicContact CG1-CD2 4Å; V457-L593 HydrophobicContact CG1-CG 4.48Å; E459-L593 HydrophobicContact CB-CD2 3.71Å; E459-L593 HydrophobicContact CG-CD2 3.82Å; V518-L593 WeakPolarHBondContact CA-O 3.21Å; E519-L593 HydrophobicContact CB-CB 4.39Å; E519-L593 PolarHBondContact N-O 3.04Å; E519-L593 PolarHBondContact O-N 2.93Å; L593-K595 PolarHBondContact O-N 3.46Å; L593-K595 VanDerWaalsContact O-N 3.15Å
594	I	61.4	Low	51.3	Low	26 Å²	26	82 Å²	82	13%	0.133	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	100.3	178.6	-58.3	-173.9	0	0	0	109.6	H460 L510 P511 Y516 V518 M592 R596	H460-I594 VanDerWaalsContact NE2-CD1 3.31Å; H460-I594 WeakPolarHBondContact NE2-CD1 3.5Å; L510-I594 HydrophobicContact CD2-CD1 4.13Å; P511-I594 HydrophobicContact CG-CD1 3.63Å; Y516-I594 HydrophobicContact CD2-CG2 3.87Å; Y516-I594 HydrophobicContact CE2-CD1 3.82Å; Y516-I594 HydrophobicContact CE2-CG1 4.11Å; Y516-I594 HydrophobicContact CE2-CG2 3.9Å; V518-I594 HydrophobicContact CG1-CG1 4.11Å; M592-I594 HydrophobicContact SD-CG1 4.21Å; I594-R596 HydrophobicContact CG2-CG 4.49Å; I594-R596 PolarHBondContact O-N 3.21Å
595	K	53.6	Low	49.3	Very low	88 Å²	88	82.6 Å²	82.6	38%	0.383	41%	0.406	S	S	.	.			trans	-76.5	77	169.5	-77.5	177.3	169.1	168.6	0	109.6	E519 L593 L597	E519-K595 HydrophobicContact CB-CD 4.45Å; E519-K595 VanDerWaalsContact OE2-CE 3.25Å; E519-K595 WeakPolarHBondContact OE2-CE 3.31Å; E519-K595 IonicContact OE2-NZ 2.7Å; E519-K595 PolarHBondContact OE2-NZ 2.89Å; L593-K595 PolarHBondContact O-N 3.46Å; L593-K595 VanDerWaalsContact O-N 3.15Å; K595-L597 PolarHBondContact O-N 2.94Å
596	R	39.6	Very low	47.3	Very low	174 Å²	174	89 Å²	89	66%	0.657	44%	0.437	S	S	*	.			trans	-46.4	125.4	164.7	-87.3	-169.4	173.8	-162.1	-1.9	108	I594 R598	I594-R596 HydrophobicContact CG2-CG 4.49Å; I594-R596 PolarHBondContact O-N 3.21Å; R596-R598 VanDerWaalsContact C-N 3.28Å; R596-R598 PolarHBondContact O-N 3.14Å
597	L	31.8	Very low	45.6	Very low	118 Å²	118	91.3 Å²	91.3	62%	0.618	45%	0.449	S	S	*	.			trans	-64.4	90	169.6	-80.2	163.9	0	0	0	108.7	K595 P599	K595-L597 PolarHBondContact O-N 2.94Å; L597-P599 WeakPolarHBondContact O-CD 3.4Å
598	R	27.3	Very low	44.2	Very low	167 Å²	167	94 Å²	94	63%	0.63	47%	0.472	S	S	*	.			trans	-60.2	135.3	165.4	-74.4	-172.4	175.5	-163.1	-1.3	108.2	R596 F600 D601	R596-R598 VanDerWaalsContact C-N 3.28Å; R596-R598 PolarHBondContact O-N 3.14Å; R598-F600 PolarHBondContact O-N 3.12Å; R598-D601 WeakPolarHBondContact CD-OD2 3.24Å; R598-D601 IonicContact CZ-OD2 2.92Å; R598-D601 IonicContact NE-OD2 2.65Å; R598-D601 IonicContact NH1-OD1 3.04Å; R598-D601 PolarHBondContact NH1-OD1 2.66Å; R598-D601 IonicContact NH1-OD2 3.68Å; R598-D601 PolarHBondContact NH1-OD2 3.09Å
599	P	24.5	Very low	42.9	Very low	128 Å²	128	88 Å²	88	83%	0.831	45%	0.453	S	S	*	.	S	Bend	trans	-66.1	72.6	161.7	-21	35	0	0	0	111.1	L597	L597-P599 WeakPolarHBondContact O-CD 3.4Å
600	F	27.9	Very low	41.2	Very low	118 Å²	118	86.1 Å²	86.1	52%	0.518	45%	0.452	S	S	.	.			trans	52	98.9	165.7	-62.3	-61.9	0	0	0	120.1	R598 I602 W617	R598-F600 PolarHBondContact O-N 3.12Å; F600-I602 HydrophobicContact CB-CB 4.18Å; F600-I602 HydrophobicContact CB-CD1 3.78Å; F600-I602 HydrophobicContact CB-CG1 3.82Å; F600-I602 HydrophobicContact CD1-CD1 3.55Å; F600-I602 HydrophobicContact CD1-CG1 3.93Å; F600-I602 HydrophobicContact CE1-CD1 4.44Å; F600-I602 HydrophobicContact CG-CD1 3.68Å; F600-I602 HydrophobicContact CG-CG1 4.15Å; F600-I602 PolarHBondContact O-N 2.87Å; F600-W617 HydrophobicContact CD1-CH2 4.25Å; F600-W617 HydrophobicContact CD1-CZ3 4.4Å; F600-W617 AromaticContact CE1-CH2 3.22Å; F600-W617 HydrophobicContact CE1-CH2 3.22Å; F600-W617 HydrophobicContact CE1-CZ2 4.18Å; F600-W617 AromaticContact CE1-CZ3 3.53Å; F600-W617 HydrophobicContact CE1-CZ3 3.53Å; F600-W617 HydrophobicContact CE2-CH2 4.47Å; F600-W617 HydrophobicContact CE2-CZ3 4.04Å; F600-W617 AromaticContact CZ-CH2 3.37Å; F600-W617 HydrophobicContact CZ-CH2 3.37Å; F600-W617 AromaticContact CZ-CZ3 3.32Å; F600-W617 HydrophobicContact CZ-CZ3 3.32Å
601	D	24.2	Very low	39	Very low	94 Å²	94	89.9 Å²	89.9	50%	0.503	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-64.8	25.9	154.3	-77.4	-68.2	0	0	0	114	R598 G603	R598-D601 WeakPolarHBondContact CD-OD2 3.24Å; R598-D601 IonicContact CZ-OD2 2.92Å; R598-D601 IonicContact NE-OD2 2.65Å; R598-D601 IonicContact NH1-OD1 3.04Å; R598-D601 PolarHBondContact NH1-OD1 2.66Å; R598-D601 IonicContact NH1-OD2 3.68Å; R598-D601 PolarHBondContact NH1-OD2 3.09Å; D601-G603 PolarHBondContact O-N 2.86Å
602	I	27.1	Very low	36.8	Very low	86 Å²	86	94.7 Å²	94.7	44%	0.441	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-64.5	-23.6	-179.7	-73.8	172.9	0	0	0	111.6	F600 R604	F600-I602 HydrophobicContact CB-CB 4.18Å; F600-I602 HydrophobicContact CB-CD1 3.78Å; F600-I602 HydrophobicContact CB-CG1 3.82Å; F600-I602 HydrophobicContact CD1-CD1 3.55Å; F600-I602 HydrophobicContact CD1-CG1 3.93Å; F600-I602 HydrophobicContact CE1-CD1 4.44Å; F600-I602 HydrophobicContact CG-CD1 3.68Å; F600-I602 HydrophobicContact CG-CG1 4.15Å; F600-I602 PolarHBondContact O-N 2.87Å; I602-R604 PolarHBondContact O-N 3.48Å
603	G	23.6	Very low	34.4	Very low	62 Å²	62	101.7 Å²	101.7	64%	0.639	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-82.6	7.1	-176.1	0	0	0	0	0	117.4	D601	D601-G603 PolarHBondContact O-N 2.86Å
604	R	25.3	Very low	32.1	Very low	211 Å²	211	102.6 Å²	102.6	80%	0.796	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-140.3	5.9	-174.3	-67.2	-169.5	-179.9	-171.5	1.6	116.7	I602	I602-R604 PolarHBondContact O-N 3.48Å
605	S	25.3	Very low	30.5	Very low	73 Å²	73	102.8 Å²	102.8	51%	0.51	55%	0.552	S	S	.	*			trans	-91.3	110.1	178.6	-171.6	0	0	0	0	112	T607	S605-T607 PolarHBondContact O-N 3.17Å; S605-T607 PolarHBondContact OG-N 2.95Å; S605-T607 PolarHBondContact OG-O 3.09Å; S605-T607 PolarHBondContact OG-OG1 3.36Å
606	I	29.3	Very low	29.8	Very low	158 Å²	158	106.1 Å²	106.1	81%	0.81	56%	0.562	S	S	*	*			trans	-71.8	-16.2	167.2	52.2	168.8	0	0	0	113.1
607	T	31.4	Very low	29.5	Very low	105 Å²	105	101.4 Å²	101.4	64%	0.644	54%	0.544	S	S	*	.	S	Bend	trans	-85	128.1	169.8	40.2	0	0	0	0	110.7	S605	S605-T607 PolarHBondContact O-N 3.17Å; S605-T607 PolarHBondContact OG-N 2.95Å; S605-T607 PolarHBondContact OG-O 3.09Å; S605-T607 PolarHBondContact OG-OG1 3.36Å
608	A	31.8	Very low	29.7	Very low	64 Å²	64	102.6 Å²	102.6	53%	0.529	54%	0.54	S	S	.	.			trans	-61.1	125.3	-179.1	0	0	0	0	0	111.5	T610	A608-T610 PolarHBondContact O-N 3.01Å; A608-T610 VanDerWaalsContact O-N 3.09Å
609	P	32.1	Very low	30.1	Very low	37 Å²	37	95.2 Å²	95.2	24%	0.24	51%	0.514	C	S	.	.			trans	-59.1	111.9	-179.2	14.2	-25.4	0	0	0	113	L611 C614 C632 C634 L637	P609-L611 PolarHBondContact O-N 2.99Å; P609-C614 HydrophobicContact CB-CB 4.29Å; P609-C614 WeakPolarHBondContact CB-SG 3.48Å; P609-C632 HydrophobicContact CG-CB 4.15Å; P609-C634 VanDerWaalsContact CD-SG 3.54Å; P609-C634 PolarHBondContact O-SG 2.99Å; P609-L637 HydrophobicContact CB-CD2 3.73Å; P609-L637 HydrophobicContact CG-CD2 3.5Å
610	T	36.5	Very low	30.7	Very low	71 Å²	71	93 Å²	93	44%	0.436	49%	0.493	S	S	.	.			trans	-73.8	125.6	-176.5	5.4	0	0	0	0	110.9	A608 S612 K613 C614	A608-T610 PolarHBondContact O-N 3.01Å; A608-T610 VanDerWaalsContact O-N 3.09Å; T610-S612 PolarHBondContact O-N 2.94Å; T610-K613 PolarHBondContact O-N 3.33Å; T610-C614 WeakPolarHBondContact O-CB 3.09Å; T610-C614 PolarHBondContact O-N 3.28Å; T610-C614 PolarHBondContact O-SG 2.81Å
611	L	30.7	Very low	31.5	Very low	78 Å²	78	87.4 Å²	87.4	41%	0.408	47%	0.468	S	S	.	.	H	α-helix	trans	-46.5	-40	177.6	-92.7	150.8	0	0	0	113.6	P609 K613 G615 R616 D636 L637	P609-L611 PolarHBondContact O-N 2.99Å; L611-K613 VanDerWaalsContact C-N 3.28Å; L611-K613 PolarHBondContact O-N 3.45Å; L611-G615 PolarHBondContact O-N 3.19Å; L611-G615 VanDerWaalsContact O-N 3.14Å; L611-R616 HydrophobicContact CD2-CG 4.12Å; L611-D636 HydrophobicContact CD1-CB 4.27Å; L611-L637 HydrophobicContact CD2-CD1 4.5Å; L611-L637 HydrophobicContact CG-CD1 4.49Å
612	S	32.7	Very low	33.3	Very low	108 Å²	108	88.1 Å²	88.1	76%	0.755	47%	0.466	S	S	*	.	H	α-helix	trans	-74	-5.9	178.1	53.6	0	0	0	0	115.9	T610	T610-S612 PolarHBondContact O-N 2.94Å
613	K	30.7	Very low	34.9	Very low	147 Å²	147	85.8 Å²	85.8	64%	0.639	46%	0.46	S	S	*	.	H	α-helix	trans	-120.2	-22.3	177.1	-63.9	-173.3	-178.5	178.3	0	113.3	R558 T610 L611	R558-K613 PolarHBondContact NH1-O 3.37Å; T610-K613 PolarHBondContact O-N 3.33Å; L611-K613 VanDerWaalsContact C-N 3.28Å; L611-K613 PolarHBondContact O-N 3.45Å
614	C	28.2	Very low	36.2	Very low	41 Å²	41	82.9 Å²	82.9	28%	0.277	43%	0.43	S	S	.	.	H	α-helix	trans	-105.1	-22	-172.7	-62.9	0	0	0	0	113.1	P609 T610 W617 L637	P609-C614 HydrophobicContact CB-CB 4.29Å; P609-C614 WeakPolarHBondContact CB-SG 3.48Å; T610-C614 WeakPolarHBondContact O-CB 3.09Å; T610-C614 PolarHBondContact O-N 3.28Å; T610-C614 PolarHBondContact O-SG 2.81Å; C614-W617 WeakPolarHBondContact O-CZ2 3.27Å; C614-W617 PolarHBondContact O-NE1 3.43Å; C614-L637 HydrophobicContact CB-CD1 3.75Å
615	G	27.1	Very low	37.8	Very low	31 Å²	31	73.3 Å²	73.3	32%	0.32	40%	0.395	S	S	.	.			trans	69.8	-177.8	-171.3	0	0	0	0	0	112.5	L611 W617 L637	L611-G615 PolarHBondContact O-N 3.19Å; L611-G615 VanDerWaalsContact O-N 3.14Å; G615-W617 PolarHBondContact O-NE1 3.24Å; G615-L637 WeakPolarHBondContact O-CD1 2.99Å
616	R	38.2	Very low	39.8	Very low	158 Å²	158	73.1 Å²	73.1	60%	0.596	39%	0.389	S	S	*	.			trans	-96	137.8	172.9	-68.1	-170	178.8	154.9	-3.8	111	L611 L637 L639	L611-R616 HydrophobicContact CD2-CG 4.12Å; R616-L637 CarbonylContact C-O 3.55Å; R616-L637 WeakPolarHBondContact CA-O 3.43Å; R616-L639 HydrophobicContact CB-CD1 4.2Å; R616-L639 HydrophobicContact CB-CG 4.47Å
617	W	33.5	Very low	41.3	Very low	74 Å²	74	70.3 Å²	70.3	28%	0.28	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.4	-169.3	-70.4	78.4	0	0	0	111.2	F600 C614 G615 L637 Y638 L639	F600-W617 HydrophobicContact CD1-CH2 4.25Å; F600-W617 HydrophobicContact CD1-CZ3 4.4Å; F600-W617 AromaticContact CE1-CH2 3.22Å; F600-W617 HydrophobicContact CE1-CH2 3.22Å; F600-W617 HydrophobicContact CE1-CZ2 4.18Å; F600-W617 AromaticContact CE1-CZ3 3.53Å; F600-W617 HydrophobicContact CE1-CZ3 3.53Å; F600-W617 HydrophobicContact CE2-CH2 4.47Å; F600-W617 HydrophobicContact CE2-CZ3 4.04Å; F600-W617 AromaticContact CZ-CH2 3.37Å; F600-W617 HydrophobicContact CZ-CH2 3.37Å; F600-W617 AromaticContact CZ-CZ3 3.32Å; F600-W617 HydrophobicContact CZ-CZ3 3.32Å; C614-W617 WeakPolarHBondContact O-CZ2 3.27Å; C614-W617 PolarHBondContact O-NE1 3.43Å; G615-W617 PolarHBondContact O-NE1 3.24Å; W617-L637 PolarHBondContact N-O 2.83Å; W617-Y638 HydrophobicContact CB-CD1 3.27Å; W617-Y638 HydrophobicContact CB-CE1 3.32Å; W617-Y638 HydrophobicContact CB-CG 3.98Å; W617-Y638 HydrophobicContact CG-CD1 4.25Å; W617-Y638 AromaticContact CG-CE1 3.88Å; W617-Y638 HydrophobicContact CG-CE1 3.88Å; W617-Y638 CarbonylContact O-C 3.54Å; W617-Y638 VanDerWaalsContact O-CA 3.24Å; W617-Y638 WeakPolarHBondContact O-CA 3.29Å; W617-L639 PolarHBondContact O-N 3.48Å
618	W	36.4	Very low	42.1	Very low	143 Å²	143	67.4 Å²	67.4	54%	0.542	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.6	-179.4	-60.1	97.8	0	0	0	111.5	L639 A640 Y641	W618-L639 CarbonylContact C-O 3.57Å; W618-L639 VanDerWaalsContact CA-O 3.32Å; W618-L639 WeakPolarHBondContact CA-O 3.22Å; W618-L639 HydrophobicContact CD2-CB 4.41Å; W618-L639 HydrophobicContact CE3-CB 3.77Å; W618-L639 HydrophobicContact CH2-CB 4.49Å; W618-L639 HydrophobicContact CH2-CD1 3.86Å; W618-L639 HydrophobicContact CZ2-CD1 4.2Å; W618-L639 HydrophobicContact CZ3-CB 3.83Å; W618-L639 HydrophobicContact CZ3-CD1 4.04Å; W618-A640 WeakPolarHBondContact CZ3-O 3.23Å; W618-Y641 HydrophobicContact CB-CD2 3.69Å; W618-Y641 HydrophobicContact CB-CE1 4.31Å; W618-Y641 HydrophobicContact CB-CE2 3.45Å; W618-Y641 VanDerWaalsContact CB-CE2 3.45Å; W618-Y641 HydrophobicContact CB-CG 4.22Å; W618-Y641 HydrophobicContact CG-CE1 4.5Å; W618-Y641 HydrophobicContact CG-CE2 4.42Å
619	T	35.7	Very low	43.4	Very low	12 Å²	12	65 Å²	65	7%	0.074	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	159.3	171.3	51.6	0	0	0	0	110.4	T621 A624 S625 I628 Y638 L639 Y641	T619-T621 PolarHBondContact O-N 3.06Å; T619-T621 PolarHBondContact OG1-O 3.42Å; T619-A624 HydrophobicContact CG2-CB 4.19Å; T619-S625 WeakPolarHBondContact OG1-CB 3.42Å; T619-S625 PolarHBondContact OG1-N 3.39Å; T619-I628 HydrophobicContact CG2-CD1 3.94Å; T619-Y638 HydrophobicContact CG2-CD1 3.7Å; T619-Y638 HydrophobicContact CG2-CG 4.42Å; T619-L639 PolarHBondContact N-O 2.79Å; T619-L639 PolarHBondContact OG1-O 2.79Å; T619-L639 VanDerWaalsContact OG1-O 3.1Å; T619-Y641 PolarHBondContact O-N 3.41Å
620	E	37.2	Very low	45	Very low	83 Å²	83	72.3 Å²	72.3	39%	0.388	35%	0.351	S	S	.	.	S	Bend	trans	-56.7	-33.6	172.8	52.2	-179.4	162.6	0	0	112.8	A624 A651	E620-A624 HydrophobicContact CG-CB 4.15Å; E620-A651 HydrophobicContact CB-CB 3.91Å; E620-A651 WeakPolarHBondContact O-CB 3.19Å
621	T	45.1	Very low	45.5	Very low	0 Å²	0	76 Å²	76	0%	0	36%	0.364	C	S	.	.	S	Bend	trans	-147.2	165.4	-169.8	67.9	0	0	0	0	112.9	T619 A623 A624 S625 A640 L645 N647 D648 A651	T619-T621 PolarHBondContact O-N 3.06Å; T619-T621 PolarHBondContact OG1-O 3.42Å; T621-A623 PolarHBondContact OG1-N 2.72Å; T621-A624 PolarHBondContact O-N 2.75Å; T621-A624 WeakPolarHBondContact OG1-CB 3.1Å; T621-A624 PolarHBondContact OG1-N 3.3Å; T621-S625 WeakPolarHBondContact O-CB 3.47Å; T621-S625 PolarHBondContact O-N 2.85Å; T621-A640 VanDerWaalsContact C-CB 3.48Å; T621-L645 CarbonylContact C-O 3.24Å; T621-L645 VanDerWaalsContact CA-O 3.22Å; T621-L645 WeakPolarHBondContact CA-O 3.47Å; T621-L645 WeakPolarHBondContact CB-O 3.36Å; T621-N647 WeakPolarHBondContact CG2-O 3.23Å; T621-D648 WeakPolarHBondContact CG2-OD1 3.37Å; T621-D648 PolarHBondContact OG1-OD1 2.77Å; T621-A651 HydrophobicContact CG2-CB 3.41Å; T621-A651 VanDerWaalsContact CG2-CB 3.41Å
622	K	61.3	Low	46	Very low	108 Å²	108	73.5 Å²	73.5	47%	0.47	35%	0.353	S	S	.	.	H	α-helix	trans	-66.6	-39.5	170	-166.8	175.4	178.4	179.4	0	112.2	A624 S625 D626 A640 L645	K622-A624 VanDerWaalsContact C-N 3.31Å; K622-A624 PolarHBondContact O-N 3.33Å; K622-S625 WeakPolarHBondContact O-CB 3.43Å; K622-S625 PolarHBondContact O-N 3.31Å; K622-S625 VanDerWaalsContact O-N 3.17Å; K622-D626 WeakPolarHBondContact O-CB 3.5Å; K622-D626 VanDerWaalsContact O-CG 3.25Å; K622-D626 PolarHBondContact O-N 3.16Å; K622-A640 HydrophobicContact CB-CB 4.35Å; K622-L645 PolarHBondContact N-O 3.29Å
623	A	61.2	Low	46.4	Very low	37 Å²	37	71 Å²	71	31%	0.306	34%	0.344	S	S	.	.	H	α-helix	trans	-59.9	-39.8	173.8	0	0	0	0	0	112.6	T621 R627 E646 N647	T621-A623 PolarHBondContact OG1-N 2.72Å; A623-R627 WeakPolarHBondContact O-CB 3.42Å; A623-R627 PolarHBondContact O-N 3.26Å; A623-E646 WeakPolarHBondContact CB-O 3.34Å; A623-E646 PolarHBondContact N-O 3.18Å; A623-N647 HydrophobicContact CB-CB 4.45Å
624	A	50.7	Low	47.2	Very low	2 Å²	2	64.7 Å²	64.7	2%	0.017	32%	0.318	C	S	.	.	H	α-helix	trans	-67.5	-42.1	173.6	0	0	0	0	0	111.6	T619 E620 T621 K622 R627 I628	T619-A624 HydrophobicContact CG2-CB 4.19Å; E620-A624 HydrophobicContact CG-CB 4.15Å; T621-A624 PolarHBondContact O-N 2.75Å; T621-A624 WeakPolarHBondContact OG1-CB 3.1Å; T621-A624 PolarHBondContact OG1-N 3.3Å; K622-A624 VanDerWaalsContact C-N 3.31Å; K622-A624 PolarHBondContact O-N 3.33Å; A624-R627 PolarHBondContact O-N 3.45Å; A624-I628 VanDerWaalsContact O-CG1 3.29Å; A624-I628 WeakPolarHBondContact O-CG1 3.35Å; A624-I628 PolarHBondContact O-N 3.08Å
625	S	59.1	Low	48.2	Very low	9 Å²	9	67.1 Å²	67.1	6%	0.063	33%	0.333	C	S	.	.	H	α-helix	trans	-56.2	-56.1	173.1	-173.8	0	0	0	0	111.2	T619 T621 K622 R627 I628 A629 Y638 L639	T619-S625 WeakPolarHBondContact OG1-CB 3.42Å; T619-S625 PolarHBondContact OG1-N 3.39Å; T621-S625 WeakPolarHBondContact O-CB 3.47Å; T621-S625 PolarHBondContact O-N 2.85Å; K622-S625 WeakPolarHBondContact O-CB 3.43Å; K622-S625 PolarHBondContact O-N 3.31Å; K622-S625 VanDerWaalsContact O-N 3.17Å; S625-R627 VanDerWaalsContact C-N 3.29Å; S625-R627 PolarHBondContact O-N 3.11Å; S625-I628 PolarHBondContact O-N 3.3Å; S625-A629 WeakPolarHBondContact O-CB 3.3Å; S625-A629 PolarHBondContact O-N 3.49Å; S625-Y638 WeakPolarHBondContact OG-CB 3.33Å; S625-Y638 PolarHBondContact OG-O 2.8Å; S625-Y638 VanDerWaalsContact OG-O 3.07Å; S625-L639 PolarHBondContact OG-N 2.94Å
626	D	66.6	Low	49.5	Very low	70 Å²	70	70.8 Å²	70.8	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-67.1	-29.7	-177.9	-64.3	-10.7	0	0	0	111.8	K622 R630	K622-D626 WeakPolarHBondContact O-CB 3.5Å; K622-D626 VanDerWaalsContact O-CG 3.25Å; K622-D626 PolarHBondContact O-N 3.16Å; D626-R630 WeakPolarHBondContact O-CB 3.34Å; D626-R630 WeakPolarHBondContact O-CG 3.47Å; D626-R630 PolarHBondContact O-N 3.32Å; D626-R630 PolarHBondContact O-NE 3.48Å
627	R	62	Low	49.8	Very low	98 Å²	98	63.3 Å²	63.3	37%	0.37	32%	0.318	S	S	.	.	H	α-helix	trans	-65.5	-54	172.8	172.7	174.1	67.5	-137.6	3.6	110.6	A623 A624 S625 R630 Q631 D648	A623-R627 WeakPolarHBondContact O-CB 3.42Å; A623-R627 PolarHBondContact O-N 3.26Å; A624-R627 PolarHBondContact O-N 3.45Å; S625-R627 VanDerWaalsContact C-N 3.29Å; S625-R627 PolarHBondContact O-N 3.11Å; R627-R630 PolarHBondContact O-N 2.71Å; R627-Q631 WeakPolarHBondContact O-CG 3.47Å; R627-Q631 PolarHBondContact O-N 2.9Å; R627-D648 IonicContact CZ-OD2 2.64Å; R627-D648 IonicContact NH1-OD2 2.72Å; R627-D648 PolarHBondContact NH1-OD2 3.11Å; R627-D648 IonicContact NH2-OD2 3.18Å; R627-D648 PolarHBondContact NH2-OD2 2.81Å
628	I	48.4	Very low	50.3	Low	44 Å²	44	60.8 Å²	60.8	23%	0.226	31%	0.308	C	S	.	.	H	α-helix	trans	-74.7	-37.5	-174.5	-52.9	165.9	0	0	0	110.7	T619 A624 S625 R630 Q631 C632 Y638	T619-I628 HydrophobicContact CG2-CD1 3.94Å; A624-I628 VanDerWaalsContact O-CG1 3.29Å; A624-I628 WeakPolarHBondContact O-CG1 3.35Å; A624-I628 PolarHBondContact O-N 3.08Å; S625-I628 PolarHBondContact O-N 3.3Å; I628-R630 VanDerWaalsContact C-N 3.29Å; I628-R630 PolarHBondContact O-N 3.3Å; I628-Q631 CarbonylContact O-C 3.47Å; I628-Q631 PolarHBondContact O-N 2.76Å; I628-C632 PolarHBondContact O-N 2.98Å; I628-C632 PolarHBondContact O-SG 3.16Å; I628-Y638 HydrophobicContact CB-CD1 4.42Å; I628-Y638 HydrophobicContact CB-CD2 4.14Å; I628-Y638 HydrophobicContact CB-CE1 4.31Å; I628-Y638 HydrophobicContact CB-CE2 4.05Å; I628-Y638 HydrophobicContact CB-CG 4.35Å; I628-Y638 HydrophobicContact CD1-CD1 4.45Å; I628-Y638 HydrophobicContact CD1-CE1 4.26Å; I628-Y638 HydrophobicContact CG2-CD1 4.44Å; I628-Y638 HydrophobicContact CG2-CD2 4.03Å; I628-Y638 HydrophobicContact CG2-CE1 3.87Å; I628-Y638 HydrophobicContact CG2-CE2 3.41Å; I628-Y638 VanDerWaalsContact CG2-CE2 3.41Å
629	A	59	Low	50.7	Low	15 Å²	15	56.6 Å²	56.6	12%	0.124	30%	0.296	C	S	.	.	H	α-helix	trans	-58.3	-37.8	173.2	0	0	0	0	0	112.9	S625 G633 C634	S625-A629 WeakPolarHBondContact O-CB 3.3Å; S625-A629 PolarHBondContact O-N 3.49Å; A629-G633 PolarHBondContact O-N 3.08Å; A629-C634 PolarHBondContact O-N 2.78Å; A629-C634 VanDerWaalsContact O-N 3.15Å
630	R	63.9	Low	50.9	Low	190 Å²	190	56.6 Å²	56.6	72%	0.717	30%	0.297	S	S	*	.	H	α-helix	trans	-68.6	-39.4	170.8	-81.4	178	-72.5	-179.6	-5	112.5	D626 R627 I628	D626-R630 WeakPolarHBondContact O-CB 3.34Å; D626-R630 WeakPolarHBondContact O-CG 3.47Å; D626-R630 PolarHBondContact O-N 3.32Å; D626-R630 PolarHBondContact O-NE 3.48Å; R627-R630 PolarHBondContact O-N 2.71Å; I628-R630 VanDerWaalsContact C-N 3.29Å; I628-R630 PolarHBondContact O-N 3.3Å
631	Q	48.7	Very low	50.7	Low	148 Å²	148	59.4 Å²	59.4	69%	0.692	31%	0.305	S	S	*	.	H	α-helix	trans	-71.6	-30.4	179.7	-73	172.5	-43.6	0	0	113.4	R627 I628	R627-Q631 WeakPolarHBondContact O-CG 3.47Å; R627-Q631 PolarHBondContact O-N 2.9Å; I628-Q631 CarbonylContact O-C 3.47Å; I628-Q631 PolarHBondContact O-N 2.76Å
632	C	40.7	Very low	50.5	Low	26 Å²	26	62.5 Å²	62.5	18%	0.176	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-0.1	179.8	76.9	0	0	0	0	114.3	P609 I628 C634	P609-C632 HydrophobicContact CG-CB 4.15Å; I628-C632 PolarHBondContact O-N 2.98Å; I628-C632 PolarHBondContact O-SG 3.16Å; C632-C634 PolarHBondContact O-N 2.74Å; C632-C634 PolarHBondContact O-SG 2.91Å
633	G	41.9	Very low	49.5	Very low	56 Å²	56	63.6 Å²	63.6	58%	0.577	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	19.7	-179.2	0	0	0	0	0	114.9	A629	A629-G633 PolarHBondContact O-N 3.08Å
634	C	46.6	Very low	48.3	Very low	13 Å²	13	64.8 Å²	64.8	9%	0.088	34%	0.336	C	S	.	.			trans	-126.2	92.7	-174.9	-58.2	0	0	0	0	111.1	P609 A629 C632 L637	P609-C634 VanDerWaalsContact CD-SG 3.54Å; P609-C634 PolarHBondContact O-SG 2.99Å; A629-C634 PolarHBondContact O-N 2.78Å; A629-C634 VanDerWaalsContact O-N 3.15Å; C632-C634 PolarHBondContact O-N 2.74Å; C632-C634 PolarHBondContact O-SG 2.91Å; C634-L637 HydrophobicContact CB-CB 3.7Å; C634-L637 HydrophobicContact CB-CD2 3.77Å; C634-L637 HydrophobicContact CB-CG 4.33Å; C634-L637 WeakPolarHBondContact O-CB 3.1Å
635	P	49.3	Very low	47.8	Very low	93 Å²	93	64.7 Å²	64.7	60%	0.604	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	154.7	162.7	25.8	-34.3	0	0	0	110.8	L637	P635-L637 PolarHBondContact O-N 3.3Å
636	D	54.2	Low	47.3	Very low	108 Å²	108	69 Å²	69	58%	0.578	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	-2.7	-177.6	-47.8	-34.9	0	0	0	116.9	L611	L611-D636 HydrophobicContact CD1-CB 4.27Å
637	L	44.6	Very low	46.3	Very low	1 Å²	1	68.7 Å²	68.7	1%	0.005	35%	0.353	C	S	.	.	S	Bend	trans	-71.5	-32.1	177.1	-174	68.1	0	0	0	112.3	P609 L611 C614 G615 R616 W617 C634 P635	P609-L637 HydrophobicContact CB-CD2 3.73Å; P609-L637 HydrophobicContact CG-CD2 3.5Å; L611-L637 HydrophobicContact CD2-CD1 4.5Å; L611-L637 HydrophobicContact CG-CD1 4.49Å; C614-L637 HydrophobicContact CB-CD1 3.75Å; G615-L637 WeakPolarHBondContact O-CD1 2.99Å; R616-L637 CarbonylContact C-O 3.55Å; R616-L637 WeakPolarHBondContact CA-O 3.43Å; W617-L637 PolarHBondContact N-O 2.83Å; C634-L637 HydrophobicContact CB-CB 3.7Å; C634-L637 HydrophobicContact CB-CD2 3.77Å; C634-L637 HydrophobicContact CB-CG 4.33Å; C634-L637 WeakPolarHBondContact O-CB 3.1Å; P635-L637 PolarHBondContact O-N 3.3Å
638	Y	43.1	Very low	45.3	Very low	21 Å²	21	66.4 Å²	66.4	8%	0.082	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	150.2	176.9	-67.5	-92.1	0	0	0	111.3	W617 T619 S625 I628	W617-Y638 HydrophobicContact CB-CD1 3.27Å; W617-Y638 HydrophobicContact CB-CE1 3.32Å; W617-Y638 HydrophobicContact CB-CG 3.98Å; W617-Y638 HydrophobicContact CG-CD1 4.25Å; W617-Y638 AromaticContact CG-CE1 3.88Å; W617-Y638 HydrophobicContact CG-CE1 3.88Å; W617-Y638 CarbonylContact O-C 3.54Å; W617-Y638 VanDerWaalsContact O-CA 3.24Å; W617-Y638 WeakPolarHBondContact O-CA 3.29Å; T619-Y638 HydrophobicContact CG2-CD1 3.7Å; T619-Y638 HydrophobicContact CG2-CG 4.42Å; S625-Y638 WeakPolarHBondContact OG-CB 3.33Å; S625-Y638 PolarHBondContact OG-O 2.8Å; S625-Y638 VanDerWaalsContact OG-O 3.07Å; I628-Y638 HydrophobicContact CB-CD1 4.42Å; I628-Y638 HydrophobicContact CB-CD2 4.14Å; I628-Y638 HydrophobicContact CB-CE1 4.31Å; I628-Y638 HydrophobicContact CB-CE2 4.05Å; I628-Y638 HydrophobicContact CB-CG 4.35Å; I628-Y638 HydrophobicContact CD1-CD1 4.45Å; I628-Y638 HydrophobicContact CD1-CE1 4.26Å; I628-Y638 HydrophobicContact CG2-CD1 4.44Å; I628-Y638 HydrophobicContact CG2-CD2 4.03Å; I628-Y638 HydrophobicContact CG2-CE1 3.87Å; I628-Y638 HydrophobicContact CG2-CE2 3.41Å; I628-Y638 VanDerWaalsContact CG2-CE2 3.41Å
639	L	44.5	Very low	44.8	Very low	55 Å²	55	66.6 Å²	66.6	29%	0.288	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146.8	176	-68.8	-179.5	0	0	0	109.8	R616 W617 W618 T619 S625	R616-L639 HydrophobicContact CB-CD1 4.2Å; R616-L639 HydrophobicContact CB-CG 4.47Å; W617-L639 PolarHBondContact O-N 3.48Å; W618-L639 CarbonylContact C-O 3.57Å; W618-L639 VanDerWaalsContact CA-O 3.32Å; W618-L639 WeakPolarHBondContact CA-O 3.22Å; W618-L639 HydrophobicContact CD2-CB 4.41Å; W618-L639 HydrophobicContact CE3-CB 3.77Å; W618-L639 HydrophobicContact CH2-CB 4.49Å; W618-L639 HydrophobicContact CH2-CD1 3.86Å; W618-L639 HydrophobicContact CZ2-CD1 4.2Å; W618-L639 HydrophobicContact CZ3-CB 3.83Å; W618-L639 HydrophobicContact CZ3-CD1 4.04Å; T619-L639 PolarHBondContact N-O 2.79Å; T619-L639 PolarHBondContact OG1-O 2.79Å; T619-L639 VanDerWaalsContact OG1-O 3.1Å; S625-L639 PolarHBondContact OG-N 2.94Å
640	A	41.7	Very low	43.9	Very low	11 Å²	11	68.4 Å²	68.4	9%	0.091	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	137.5	171.4	0	0	0	0	0	111.5	W618 T621 K622 E642	W618-A640 WeakPolarHBondContact CZ3-O 3.23Å; T621-A640 VanDerWaalsContact C-CB 3.48Å; K622-A640 HydrophobicContact CB-CB 4.35Å; A640-E642 WeakPolarHBondContact CB-O 3.31Å; A640-E642 PolarHBondContact O-N 2.67Å
641	Y	33.2	Very low	42.4	Very low	142 Å²	142	59.5 Å²	59.5	56%	0.557	33%	0.328	S	S	*	.	S	Bend	trans	-54.8	-35.6	178.9	-108.1	-70.8	0	0	0	113.5	W618 T619 F655	W618-Y641 HydrophobicContact CB-CD2 3.69Å; W618-Y641 HydrophobicContact CB-CE1 4.31Å; W618-Y641 HydrophobicContact CB-CE2 3.45Å; W618-Y641 VanDerWaalsContact CB-CE2 3.45Å; W618-Y641 HydrophobicContact CB-CG 4.22Å; W618-Y641 HydrophobicContact CG-CE1 4.5Å; W618-Y641 HydrophobicContact CG-CE2 4.42Å; T619-Y641 PolarHBondContact O-N 3.41Å; Y641-F655 HydrophobicContact CG-CZ 4.44Å
642	E	39.3	Very low	41.7	Very low	66 Å²	66	53.6 Å²	53.6	31%	0.308	30%	0.302	S	S	.	.	S	Bend	trans	-122	138.3	156	-75.4	-167.2	-148	0	0	108.7	A640 D644 L645 W674	A640-E642 WeakPolarHBondContact CB-O 3.31Å; A640-E642 PolarHBondContact O-N 2.67Å; E642-D644 PolarHBondContact O-N 3.45Å; E642-L645 HydrophobicContact CB-CD1 3.95Å; E642-L645 HydrophobicContact CB-CG 3.95Å; E642-L645 HydrophobicContact CG-CD1 4.44Å; E642-L645 PolarHBondContact O-N 3.43Å; E642-W674 VanDerWaalsContact OE2-CE3 3.26Å; E642-W674 VanDerWaalsContact OE2-CZ3 3.31Å; E642-W674 WeakPolarHBondContact OE2-CZ3 3.47Å
643	T	40.1	Very low	41.2	Very low	130 Å²	130	52.6 Å²	52.6	80%	0.798	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-14.7	172	47.4	0	0	0	0	113.5
644	D	37.2	Very low	40.6	Very low	62 Å²	62	50 Å²	50	33%	0.332	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-3.3	-174.8	-108.9	-15.5	0	0	0	113.8	E642 W674 R676	E642-D644 PolarHBondContact O-N 3.45Å; D644-W674 HydrophobicContact CB-CZ3 4.27Å; D644-R676 HydrophobicContact CB-CB 4.4Å; D644-R676 WeakPolarHBondContact O-CD 3.31Å; D644-R676 PolarHBondContact O-NE 2.72Å; D644-R676 VanDerWaalsContact O-NE 3.13Å; D644-R676 PolarHBondContact O-NH1 2.76Å; D644-R676 WeakPolarHBondContact OD1-CD 3.29Å; D644-R676 IonicContact OD1-CZ 3.64Å; D644-R676 IonicContact OD1-NE 3.55Å; D644-R676 IonicContact OD1-NH1 3.65Å; D644-R676 PolarHBondContact OD1-NH1 2.75Å
645	L	40.2	Very low	39.9	Very low	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.			trans	-100.6	91.7	178.4	-64.3	173.6	0	0	0	110.6	T621 K622 E642 D650 A651 A654 F655 W674	T621-L645 CarbonylContact C-O 3.24Å; T621-L645 VanDerWaalsContact CA-O 3.22Å; T621-L645 WeakPolarHBondContact CA-O 3.47Å; T621-L645 WeakPolarHBondContact CB-O 3.36Å; K622-L645 PolarHBondContact N-O 3.29Å; E642-L645 HydrophobicContact CB-CD1 3.95Å; E642-L645 HydrophobicContact CB-CG 3.95Å; E642-L645 HydrophobicContact CG-CD1 4.44Å; E642-L645 PolarHBondContact O-N 3.43Å; L645-D650 HydrophobicContact CD2-CB 4.07Å; L645-A651 HydrophobicContact CD1-CB 4.08Å; L645-A654 HydrophobicContact CD1-CB 4.47Å; L645-A654 HydrophobicContact CD2-CB 3.87Å; L645-F655 HydrophobicContact CD1-CD2 4.47Å; L645-F655 HydrophobicContact CD1-CE2 3.84Å; L645-W674 HydrophobicContact CD2-CH2 3.85Å; L645-W674 HydrophobicContact CD2-CZ2 4.49Å; L645-W674 HydrophobicContact CD2-CZ3 4.07Å
646	E	47.7	Very low	39.2	Very low	100 Å²	100	50.5 Å²	50.5	47%	0.467	26%	0.261	S	S	.	.			trans	-77.3	-28.6	-171.4	-78.7	174.8	-130.1	0	0	114.3	A623 R676	A623-E646 WeakPolarHBondContact CB-O 3.34Å; A623-E646 PolarHBondContact N-O 3.18Å; E646-R676 IonicContact OE1-CZ 3.45Å; E646-R676 IonicContact OE1-NH1 2.71Å; E646-R676 PolarHBondContact OE1-NH1 3.31Å; E646-R676 IonicContact OE1-NH2 3.63Å; E646-R676 PolarHBondContact OE1-NH2 2.89Å
647	N	46.3	Very low	38	Very low	63 Å²	63	45.5 Å²	45.5	34%	0.337	23%	0.234	S	C	.	.	S	Bend	trans	-147.8	162.1	-172.9	66.5	76.3	0	0	0	114	T621 A623 S649 D650 A651	T621-N647 WeakPolarHBondContact CG2-O 3.23Å; A623-N647 HydrophobicContact CB-CB 4.45Å; N647-S649 PolarHBondContact O-N 2.86Å; N647-S649 VanDerWaalsContact OD1-CB 3.24Å; N647-S649 WeakPolarHBondContact OD1-CB 3.16Å; N647-S649 PolarHBondContact OD1-N 3.35Å; N647-S649 VanDerWaalsContact OD1-N 3.09Å; N647-D650 PolarHBondContact ND2-OD2 2.79Å; N647-D650 PolarHBondContact O-N 2.91Å; N647-D650 PolarHBondContact OD1-N 3.45Å; N647-A651 PolarHBondContact O-N 2.76Å
648	D	40.7	Very low	37.3	Very low	50 Å²	50	46.9 Å²	46.9	27%	0.267	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-1.4	-169.7	-51.9	-6	0	0	0	113.7	T621 R627 V652	T621-D648 WeakPolarHBondContact CG2-OD1 3.37Å; T621-D648 PolarHBondContact OG1-OD1 2.77Å; R627-D648 IonicContact CZ-OD2 2.64Å; R627-D648 IonicContact NH1-OD2 2.72Å; R627-D648 PolarHBondContact NH1-OD2 3.11Å; R627-D648 IonicContact NH2-OD2 3.18Å; R627-D648 PolarHBondContact NH2-OD2 2.81Å; D648-V652 VanDerWaalsContact O-CG2 3.31Å; D648-V652 WeakPolarHBondContact O-CG2 3.45Å
649	S	39.1	Very low	36.8	Very low	48 Å²	48	52.1 Å²	52.1	34%	0.336	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-37.8	164.4	-178.6	0	0	0	0	112	N647 A653	N647-S649 PolarHBondContact O-N 2.86Å; N647-S649 VanDerWaalsContact OD1-CB 3.24Å; N647-S649 WeakPolarHBondContact OD1-CB 3.16Å; N647-S649 PolarHBondContact OD1-N 3.35Å; N647-S649 VanDerWaalsContact OD1-N 3.09Å; S649-A653 WeakPolarHBondContact O-CB 3.22Å; S649-A653 PolarHBondContact O-N 2.74Å; S649-A653 VanDerWaalsContact O-N 3.13Å
650	D	39.5	Very low	36.2	Very low	54 Å²	54	53.3 Å²	53.3	29%	0.289	28%	0.277	S	S	.	.	H	α-helix	trans	-74.4	-38.9	-174.6	-65.8	-21.4	0	0	0	112	L645 N647 A653 A654	L645-D650 HydrophobicContact CD2-CB 4.07Å; N647-D650 PolarHBondContact ND2-OD2 2.79Å; N647-D650 PolarHBondContact O-N 2.91Å; N647-D650 PolarHBondContact OD1-N 3.45Å; D650-A653 WeakPolarHBondContact O-CB 3.14Å; D650-A653 PolarHBondContact O-N 3.33Å; D650-A654 PolarHBondContact O-N 2.75Å
651	A	32.1	Very low	35.8	Very low	2 Å²	2	53.9 Å²	53.9	2%	0.017	28%	0.279	C	S	.	.	H	α-helix	trans	-66.5	-44.1	177.3	0	0	0	0	0	112.5	E620 T621 L645 N647 A653 A654 F655	E620-A651 HydrophobicContact CB-CB 3.91Å; E620-A651 WeakPolarHBondContact O-CB 3.19Å; T621-A651 HydrophobicContact CG2-CB 3.41Å; T621-A651 VanDerWaalsContact CG2-CB 3.41Å; L645-A651 HydrophobicContact CD1-CB 4.08Å; N647-A651 PolarHBondContact O-N 2.76Å; A651-A653 PolarHBondContact O-N 2.83Å; A651-A654 PolarHBondContact O-N 2.65Å; A651-A654 VanDerWaalsContact O-N 3.16Å; A651-F655 HydrophobicContact CB-CD2 4.24Å; A651-F655 HydrophobicContact CB-CE2 4.46Å; A651-F655 WeakPolarHBondContact O-CB 3.15Å; A651-F655 WeakPolarHBondContact O-CD2 3.07Å; A651-F655 PolarHBondContact O-N 2.88Å
652	V	33.1	Very low	35.8	Very low	24 Å²	24	55.3 Å²	55.3	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-56.1	-44.3	172.2	171.1	0	0	0	0	110.6	D648 A654 Q656 R745	D648-V652 VanDerWaalsContact O-CG2 3.31Å; D648-V652 WeakPolarHBondContact O-CG2 3.45Å; V652-A654 PolarHBondContact O-N 3.45Å; V652-Q656 HydrophobicContact CG1-CG 4.43Å; V652-Q656 VanDerWaalsContact O-CB 3.3Å; V652-Q656 WeakPolarHBondContact O-CB 3.07Å; V652-Q656 VanDerWaalsContact O-CG 3.27Å; V652-Q656 WeakPolarHBondContact O-CG 3.4Å; V652-Q656 PolarHBondContact O-N 3.35Å; V652-Q656 PolarHBondContact O-OE1 2.99Å; V652-R745 HydrophobicContact CG1-CG 4.1Å
653	A	30.8	Very low	35.4	Very low	5 Å²	5	55.7 Å²	55.7	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-36.4	177.8	0	0	0	0	0	113.6	S649 D650 A651 P657 A737	S649-A653 WeakPolarHBondContact O-CB 3.22Å; S649-A653 PolarHBondContact O-N 2.74Å; S649-A653 VanDerWaalsContact O-N 3.13Å; D650-A653 WeakPolarHBondContact O-CB 3.14Å; D650-A653 PolarHBondContact O-N 3.33Å; A651-A653 PolarHBondContact O-N 2.83Å; A653-P657 VanDerWaalsContact O-CD 3.29Å; A653-P657 WeakPolarHBondContact O-CD 3.21Å; A653-A737 WeakPolarHBondContact CA-O 3.37Å; A653-A737 HydrophobicContact CB-CB 3.7Å; A653-A737 WeakPolarHBondContact CB-O 3.48Å
654	A	30.2	Very low	35	Very low	3 Å²	3	50.8 Å²	50.8	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-83.3	-45.6	-179.9	0	0	0	0	0	114	L645 D650 A651 V652 P657 W674	L645-A654 HydrophobicContact CD1-CB 4.47Å; L645-A654 HydrophobicContact CD2-CB 3.87Å; D650-A654 PolarHBondContact O-N 2.75Å; A651-A654 PolarHBondContact O-N 2.65Å; A651-A654 VanDerWaalsContact O-N 3.16Å; V652-A654 PolarHBondContact O-N 3.45Å; A654-P657 WeakPolarHBondContact O-CD 3.46Å; A654-W674 HydrophobicContact CB-CD2 4.26Å; A654-W674 HydrophobicContact CB-CZ2 4.37Å
655	F	30.8	Very low	34.6	Very low	87 Å²	87	51.4 Å²	51.4	38%	0.382	27%	0.272	S	S	.	.	H	α-helix	trans	-75.2	-28.1	-173.7	-80	-70.3	0	0	0	114.1	Y641 L645 A651 L658 L659	Y641-F655 HydrophobicContact CG-CZ 4.44Å; L645-F655 HydrophobicContact CD1-CD2 4.47Å; L645-F655 HydrophobicContact CD1-CE2 3.84Å; A651-F655 HydrophobicContact CB-CD2 4.24Å; A651-F655 HydrophobicContact CB-CE2 4.46Å; A651-F655 WeakPolarHBondContact O-CB 3.15Å; A651-F655 WeakPolarHBondContact O-CD2 3.07Å; A651-F655 PolarHBondContact O-N 2.88Å; F655-L658 WeakPolarHBondContact O-CB 3.36Å; F655-L658 PolarHBondContact O-N 2.83Å; F655-L659 PolarHBondContact O-N 3.28Å
656	Q	34.1	Very low	34.1	Very low	28 Å²	28	53.7 Å²	53.7	13%	0.131	28%	0.283	C	S	.	.	H	α-helix	trans	-68.1	-42.5	-175	-80	-170.4	-55.2	0	0	114.9	V652 L658 L659 L660 G741 V744 R745	V652-Q656 HydrophobicContact CG1-CG 4.43Å; V652-Q656 VanDerWaalsContact O-CB 3.3Å; V652-Q656 WeakPolarHBondContact O-CB 3.07Å; V652-Q656 VanDerWaalsContact O-CG 3.27Å; V652-Q656 WeakPolarHBondContact O-CG 3.4Å; V652-Q656 PolarHBondContact O-N 3.35Å; V652-Q656 PolarHBondContact O-OE1 2.99Å; Q656-L658 VanDerWaalsContact C-N 3.33Å; Q656-L658 PolarHBondContact O-N 3.01Å; Q656-L659 PolarHBondContact O-N 3.38Å; Q656-L660 PolarHBondContact O-N 3.26Å; Q656-L660 VanDerWaalsContact O-N 3.1Å; Q656-G741 VanDerWaalsContact OE1-CA 3.27Å; Q656-G741 PolarHBondContact OE1-O 3.08Å; Q656-V744 HydrophobicContact CB-CB 3.76Å; Q656-V744 HydrophobicContact CB-CG1 3.62Å; Q656-V744 HydrophobicContact CB-CG2 4.46Å; Q656-V744 HydrophobicContact CG-CB 4.34Å; Q656-V744 HydrophobicContact CG-CG1 3.97Å; Q656-V744 VanDerWaalsContact NE2-C 3.31Å; Q656-V744 PolarHBondContact NE2-O 2.81Å; Q656-R745 VanDerWaalsContact NE2-N 3.18Å
657	P	29.2	Very low	33.5	Very low	4 Å²	4	50.4 Å²	50.4	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-53.4	-47.2	166.9	-28.8	35.7	0	0	0	113	A653 A654 L659 L660 C661 V681 M740	A653-P657 VanDerWaalsContact O-CD 3.29Å; A653-P657 WeakPolarHBondContact O-CD 3.21Å; A654-P657 WeakPolarHBondContact O-CD 3.46Å; P657-L659 PolarHBondContact O-N 3.3Å; P657-L660 PolarHBondContact O-N 2.92Å; P657-C661 WeakPolarHBondContact O-CB 3.34Å; P657-C661 PolarHBondContact O-N 3.28Å; P657-C661 PolarHBondContact O-SG 3.37Å; P657-V681 HydrophobicContact CB-CG2 4.28Å; P657-M740 HydrophobicContact CB-CE 3.75Å; P657-M740 HydrophobicContact CB-SD 4.11Å; P657-M740 HydrophobicContact CG-CB 3.86Å; P657-M740 HydrophobicContact CG-CE 3.8Å; P657-M740 HydrophobicContact CG-CG 4.39Å; P657-M740 HydrophobicContact CG-SD 3.62Å
658	L	31.3	Very low	32.7	Very low	29 Å²	29	54.7 Å²	54.7	15%	0.152	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-41.6	-179.7	-84.6	158.4	0	0	0	112.4	F655 Q656 R662 A672	F655-L658 WeakPolarHBondContact O-CB 3.36Å; F655-L658 PolarHBondContact O-N 2.83Å; Q656-L658 VanDerWaalsContact C-N 3.33Å; Q656-L658 PolarHBondContact O-N 3.01Å; L658-R662 WeakPolarHBondContact O-CB 3.31Å; L658-R662 WeakPolarHBondContact O-CG 3.41Å; L658-R662 PolarHBondContact O-N 3.04Å; L658-A672 HydrophobicContact CD2-CB 3.55Å
659	L	32.3	Very low	32.2	Very low	132 Å²	132	56.1 Å²	56.1	69%	0.691	29%	0.29	S	S	*	.	H	α-helix	trans	-66	-42	177.2	-163.1	76.2	0	0	0	111.9	F655 Q656 P657 R662 S663	F655-L659 PolarHBondContact O-N 3.28Å; Q656-L659 PolarHBondContact O-N 3.38Å; P657-L659 PolarHBondContact O-N 3.3Å; L659-R662 PolarHBondContact O-N 3.23Å; L659-S663 PolarHBondContact O-N 2.92Å
660	L	32.1	Very low	32	Very low	80 Å²	80	56.1 Å²	56.1	42%	0.419	28%	0.283	S	S	.	.	H	α-helix	trans	-68.3	-39.5	178.7	-147.3	89.4	0	0	0	111.9	Q656 P657 S663 V744	Q656-L660 PolarHBondContact O-N 3.26Å; Q656-L660 VanDerWaalsContact O-N 3.1Å; P657-L660 PolarHBondContact O-N 2.92Å; L660-S663 PolarHBondContact O-OG 2.77Å; L660-V744 HydrophobicContact CD1-CG1 4.06Å; L660-V744 HydrophobicContact CD1-CG2 4.42Å; L660-V744 HydrophobicContact CD2-CG2 4.38Å
661	C	32.8	Very low	31.7	Very low	22 Å²	22	56.7 Å²	56.7	15%	0.149	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-41.1	175.4	-70.3	0	0	0	0	111.9	P657 S663 M667 M683	P657-C661 WeakPolarHBondContact O-CB 3.34Å; P657-C661 PolarHBondContact O-N 3.28Å; P657-C661 PolarHBondContact O-SG 3.37Å; C661-S663 PolarHBondContact O-N 3.38Å; C661-M667 HydrophobicContact CB-CE 3.82Å; C661-M667 WeakPolarHBondContact O-CB 3.44Å; C661-M667 VanDerWaalsContact SG-CE 3.51Å; C661-M683 HydrophobicContact CB-CE 3.96Å; C661-M683 HydrophobicContact CB-SD 4.15Å; C661-M683 VanDerWaalsContact SG-SD 3.67Å
662	R	33.1	Very low	31.9	Very low	172 Å²	172	57.7 Å²	57.7	65%	0.649	30%	0.297	S	S	*	.	H	α-helix	trans	-74.8	-19.8	-178.7	-75.4	-179.2	169.9	179.2	-2.4	114.5	L658 L659	L658-R662 WeakPolarHBondContact O-CB 3.31Å; L658-R662 WeakPolarHBondContact O-CG 3.41Å; L658-R662 PolarHBondContact O-N 3.04Å; L659-R662 PolarHBondContact O-N 3.23Å
663	S	31.2	Very low	32	Very low	74 Å²	74	61.2 Å²	61.2	52%	0.517	31%	0.312	S	S	.	.	H	α-helix	trans	-73.3	-34.6	176.1	68.8	0	0	0	0	112.5	L659 L660 C661 R668	L659-S663 PolarHBondContact O-N 2.92Å; L660-S663 PolarHBondContact O-OG 2.77Å; C661-S663 PolarHBondContact O-N 3.38Å; S663-R668 PolarHBondContact O-NH2 3.4Å
664	S	31.8	Very low	32.2	Very low	28 Å²	28	63.3 Å²	63.3	20%	0.196	32%	0.318	C	S	.	.	S	Bend	trans	-63.5	124.4	179.1	174.9	0	0	0	0	112.8	H666 M667 R668	S664-H666 PolarHBondContact O-N 3.04Å; S664-H666 VanDerWaalsContact O-N 3.16Å; S664-H666 PolarHBondContact OG-N 2.84Å; S664-M667 PolarHBondContact O-N 3.3Å; S664-M667 VanDerWaalsContact O-N 3.11Å; S664-R668 PolarHBondContact O-N 2.95Å
665	P	29	Very low	32.6	Very low	74 Å²	74	64.5 Å²	64.5	48%	0.481	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-54.2	-34.3	176.4	-27.1	35.6	0	0	0	113.9	M667	P665-M667 PolarHBondContact O-N 2.81Å
666	H	30	Very low	32.5	Very low	49 Å²	49	64.5 Å²	64.5	23%	0.227	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-75.8	-9.4	-176.5	-49.7	-57.7	0	0	0	114.3	S664 W670 A711 H714 H795	S664-H666 PolarHBondContact O-N 3.04Å; S664-H666 VanDerWaalsContact O-N 3.16Å; S664-H666 PolarHBondContact OG-N 2.84Å; H666-W670 PolarHBondContact O-NE1 2.7Å; H666-W670 VanDerWaalsContact O-NE1 3.08Å; H666-A711 HydrophobicContact CB-CB 4.5Å; H666-H714 AromaticContact CD2-CD2 3.76Å; H666-H795 AromaticContact CE1-CD2 3.94Å; H666-H795 AromaticContact CE1-CE1 3.29Å; H666-H795 PolarHBondContact CE1-CE1 3.36Å; H666-H795 AromaticContact CE1-CG 3.88Å; H666-H795 AromaticContact CE1-ND1 3.49Å; H666-H795 PolarHBondContact CE1-ND1 3.34Å; H666-H795 AromaticContact CE1-NE2 3.58Å; H666-H795 AromaticContact NE2-CE1 3.25Å; H666-H795 PolarHBondContact NE2-CE1 3.27Å; H666-H795 VanDerWaalsContact NE2-CE1 3.25Å; H666-H795 AromaticContact NE2-ND1 3.67Å; H666-H795 AromaticContact NE2-NE2 3.87Å
667	M	33.3	Very low	32.6	Very low	31 Å²	31	68.5 Å²	68.5	15%	0.153	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-121.3	1.1	-171.3	-64.7	171.9	77.6	0	0	112.8	C661 S664 P665 T669 W670 M683 L715	C661-M667 HydrophobicContact CB-CE 3.82Å; C661-M667 WeakPolarHBondContact O-CB 3.44Å; C661-M667 VanDerWaalsContact SG-CE 3.51Å; S664-M667 PolarHBondContact O-N 3.3Å; S664-M667 VanDerWaalsContact O-N 3.11Å; P665-M667 PolarHBondContact O-N 2.81Å; M667-T669 PolarHBondContact O-N 2.91Å; M667-W670 PolarHBondContact O-N 3.32Å; M667-W670 VanDerWaalsContact O-N 3.16Å; M667-M683 HydrophobicContact CE-CE 3.65Å; M667-M683 HydrophobicContact CE-SD 3.41Å; M667-M683 WeakPolarHBondContact CE-SD 3.19Å; M667-L715 HydrophobicContact CE-CD1 3.98Å; M667-L715 HydrophobicContact CE-CG 4.29Å
668	R	31.5	Very low	32.7	Very low	152 Å²	152	75.3 Å²	75.3	57%	0.574	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.5	173.9	-66.5	178.5	-173.7	175.2	3.9	114.2	S663 S664	S663-R668 PolarHBondContact O-NH2 3.4Å; S664-R668 PolarHBondContact O-N 2.95Å
669	T	30.1	Very low	32.7	Very low	81 Å²	81	77.9 Å²	77.9	50%	0.497	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	23.8	175.9	64.8	0	0	0	0	112.6	M667 D686	M667-T669 PolarHBondContact O-N 2.91Å; T669-D686 PolarHBondContact O-N 3.49Å
670	W	34.6	Very low	32.8	Very low	47 Å²	47	73.1 Å²	73.1	18%	0.178	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.8	178	-62	59.8	0	0	0	110	H666 M667 M683 T684 K685 A711 L715	H666-W670 PolarHBondContact O-NE1 2.7Å; H666-W670 VanDerWaalsContact O-NE1 3.08Å; M667-W670 PolarHBondContact O-N 3.32Å; M667-W670 VanDerWaalsContact O-N 3.16Å; W670-M683 HydrophobicContact CB-CE 3.72Å; W670-M683 HydrophobicContact CE3-CB 3.87Å; W670-M683 HydrophobicContact CG-CE 4.44Å; W670-M683 HydrophobicContact CZ3-CB 4.31Å; W670-T684 CarbonylContact C-O 3.59Å; W670-T684 WeakPolarHBondContact CA-O 3.32Å; W670-T684 WeakPolarHBondContact CB-O 3.43Å; W670-K685 HydrophobicContact CD2-CB 3.91Å; W670-K685 HydrophobicContact CD2-CG 4.45Å; W670-K685 HydrophobicContact CE3-CB 4.13Å; W670-K685 HydrophobicContact CG-CB 4.26Å; W670-A711 HydrophobicContact CZ2-CB 4.22Å; W670-L715 HydrophobicContact CH2-CD1 4.11Å; W670-L715 HydrophobicContact CZ3-CD1 3.98Å
671	T	33.4	Very low	33	Very low	66 Å²	66	70.2 Å²	70.2	41%	0.405	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	147.2	160.7	34.3	0	0	0	0	109.6	M683 T684	T671-M683 WeakPolarHBondContact O-CA 3.16Å; T671-T684 PolarHBondContact N-O 2.82Å; T671-T684 PolarHBondContact O-N 2.94Å; T671-T684 PolarHBondContact OG1-O 3.46Å; T671-T684 VanDerWaalsContact OG1-O 3.08Å; T671-T684 PolarHBondContact OG1-OG1 2.68Å
672	A	36.2	Very low	33.3	Very low	24 Å²	24	75.9 Å²	75.9	20%	0.198	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	114.8	178.4	0	0	0	0	0	108.6	L658 V681 R682 M683	L658-A672 HydrophobicContact CD2-CB 3.55Å; A672-V681 HydrophobicContact CB-CG1 4.49Å; A672-R682 CarbonylContact C-O 3.56Å; A672-R682 VanDerWaalsContact CA-O 3.31Å; A672-R682 WeakPolarHBondContact CA-O 3.17Å; A672-M683 HydrophobicContact CB-CE 4.02Å; A672-M683 HydrophobicContact CB-CG 4.09Å
673	E	35.4	Very low	33.6	Very low	98 Å²	98	69.3 Å²	69.3	46%	0.458	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.3	177.8	-53.3	177	145.9	0	0	108.2	V681 R682	E673-V681 WeakPolarHBondContact O-CA 2.95Å; E673-R682 HydrophobicContact CB-CB 4.3Å; E673-R682 PolarHBondContact N-O 2.86Å; E673-R682 PolarHBondContact O-N 2.93Å; E673-R682 IonicContact OE1-NH1 3.86Å; E673-R682 WeakPolarHBondContact OE2-CD 3.4Å; E673-R682 IonicContact OE2-CZ 3.25Å; E673-R682 IonicContact OE2-NE 2.7Å; E673-R682 IonicContact OE2-NH1 2.8Å; E673-R682 PolarHBondContact OE2-NH1 2.81Å
674	W	33.9	Very low	33.9	Very low	48 Å²	48	67.8 Å²	67.8	18%	0.182	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	150.6	165.1	-175.3	75.4	0	0	0	109.7	E642 D644 L645 A654 R676	E642-W674 VanDerWaalsContact OE2-CE3 3.26Å; E642-W674 VanDerWaalsContact OE2-CZ3 3.31Å; E642-W674 WeakPolarHBondContact OE2-CZ3 3.47Å; D644-W674 HydrophobicContact CB-CZ3 4.27Å; L645-W674 HydrophobicContact CD2-CH2 3.85Å; L645-W674 HydrophobicContact CD2-CZ2 4.49Å; L645-W674 HydrophobicContact CD2-CZ3 4.07Å; A654-W674 HydrophobicContact CB-CD2 4.26Å; A654-W674 HydrophobicContact CB-CZ2 4.37Å; W674-R676 HydrophobicContact CH2-CB 3.58Å; W674-R676 HydrophobicContact CH2-CG 3.78Å; W674-R676 HydrophobicContact CZ2-CB 4.29Å; W674-R676 HydrophobicContact CZ2-CG 4.48Å; W674-R676 HydrophobicContact CZ3-CB 3.74Å; W674-R676 HydrophobicContact CZ3-CG 4.36Å
675	S	38.4	Very low	34.1	Very low	29 Å²	29	71.6 Å²	71.6	20%	0.203	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	99.3	-177.8	-174.2	0	0	0	0	111.5	S677 K678 S679 T680	S675-S677 VanDerWaalsContact C-N 3.26Å; S675-S677 PolarHBondContact O-N 3.37Å; S675-S677 PolarHBondContact OG-OG 3.14Å; S675-K678 CarbonylContact O-C 3.51Å; S675-K678 PolarHBondContact O-N 3.17Å; S675-S679 PolarHBondContact O-N 3.06Å; S675-T680 PolarHBondContact N-O 3.32Å; S675-T680 VanDerWaalsContact N-O 3.08Å
676	R	28.8	Very low	34.4	Very low	86 Å²	86	73.2 Å²	73.2	33%	0.325	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-43.4	177	-164.1	-179.7	-172.4	-165.3	5.1	112.4	D644 E646 W674 K678 S679	D644-R676 HydrophobicContact CB-CB 4.4Å; D644-R676 WeakPolarHBondContact O-CD 3.31Å; D644-R676 PolarHBondContact O-NE 2.72Å; D644-R676 VanDerWaalsContact O-NE 3.13Å; D644-R676 PolarHBondContact O-NH1 2.76Å; D644-R676 WeakPolarHBondContact OD1-CD 3.29Å; D644-R676 IonicContact OD1-CZ 3.64Å; D644-R676 IonicContact OD1-NE 3.55Å; D644-R676 IonicContact OD1-NH1 3.65Å; D644-R676 PolarHBondContact OD1-NH1 2.75Å; E646-R676 IonicContact OE1-CZ 3.45Å; E646-R676 IonicContact OE1-NH1 2.71Å; E646-R676 PolarHBondContact OE1-NH1 3.31Å; E646-R676 IonicContact OE1-NH2 3.63Å; E646-R676 PolarHBondContact OE1-NH2 2.89Å; W674-R676 HydrophobicContact CH2-CB 3.58Å; W674-R676 HydrophobicContact CH2-CG 3.78Å; W674-R676 HydrophobicContact CZ2-CB 4.29Å; W674-R676 HydrophobicContact CZ2-CG 4.48Å; W674-R676 HydrophobicContact CZ3-CB 3.74Å; W674-R676 HydrophobicContact CZ3-CG 4.36Å; R676-K678 PolarHBondContact O-N 2.96Å; R676-S679 PolarHBondContact O-N 3.45Å
677	S	35.5	Very low	34.5	Very low	113 Å²	113	73.3 Å²	73.3	79%	0.79	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.8	179.3	57	0	0	0	0	114.9	S675	S675-S677 VanDerWaalsContact C-N 3.26Å; S675-S677 PolarHBondContact O-N 3.37Å; S675-S677 PolarHBondContact OG-OG 3.14Å
678	K	33.2	Very low	34.1	Very low	146 Å²	146	80 Å²	80	64%	0.635	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-10.4	175.2	-60.8	176.8	-176.6	173	0	113.5	S675 R676 T680	S675-K678 CarbonylContact O-C 3.51Å; S675-K678 PolarHBondContact O-N 3.17Å; R676-K678 PolarHBondContact O-N 2.96Å; K678-T680 VanDerWaalsContact CB-OG1 3.28Å; K678-T680 WeakPolarHBondContact CB-OG1 3.47Å; K678-T680 PolarHBondContact O-N 3.1Å
679	S	30.5	Very low	33.7	Very low	84 Å²	84	78.9 Å²	78.9	59%	0.587	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	25.6	-170.8	-62.2	0	0	0	0	114.8	S675 R676	S675-S679 PolarHBondContact O-N 3.06Å; R676-S679 PolarHBondContact O-N 3.45Å
680	T	33.8	Very low	33.4	Very low	31 Å²	31	77.9 Å²	77.9	19%	0.19	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.9	-174.9	45.7	0	0	0	0	113.3	S675 K678	S675-T680 PolarHBondContact N-O 3.32Å; S675-T680 VanDerWaalsContact N-O 3.08Å; K678-T680 VanDerWaalsContact CB-OG1 3.28Å; K678-T680 WeakPolarHBondContact CB-OG1 3.47Å; K678-T680 PolarHBondContact O-N 3.1Å
681	V	35.9	Very low	32.8	Very low	19 Å²	19	86.9 Å²	86.9	12%	0.115	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.8	162.2	177	0	0	0	0	107.4	P657 A672 E673 M683 F734	P657-V681 HydrophobicContact CB-CG2 4.28Å; A672-V681 HydrophobicContact CB-CG1 4.49Å; E673-V681 WeakPolarHBondContact O-CA 2.95Å; V681-M683 HydrophobicContact CG1-CG 4.15Å; V681-F734 HydrophobicContact CB-CD2 4.4Å
682	R	39.6	Very low	32.3	Very low	141 Å²	141	89.1 Å²	89.1	53%	0.532	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	138.7	170.4	-168.4	-157.7	-166.9	-175.4	-2.6	108.3	A672 E673	A672-R682 CarbonylContact C-O 3.56Å; A672-R682 VanDerWaalsContact CA-O 3.31Å; A672-R682 WeakPolarHBondContact CA-O 3.17Å; E673-R682 HydrophobicContact CB-CB 4.3Å; E673-R682 PolarHBondContact N-O 2.86Å; E673-R682 PolarHBondContact O-N 2.93Å; E673-R682 IonicContact OE1-NH1 3.86Å; E673-R682 WeakPolarHBondContact OE2-CD 3.4Å; E673-R682 IonicContact OE2-CZ 3.25Å; E673-R682 IonicContact OE2-NE 2.7Å; E673-R682 IonicContact OE2-NH1 2.8Å; E673-R682 PolarHBondContact OE2-NH1 2.81Å
683	M	39.8	Very low	31.5	Very low	34 Å²	34	97.6 Å²	97.6	17%	0.167	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.1	173.3	-66.8	-159.1	72.8	0	0	111	C661 M667 W670 T671 A672 V681 L715	C661-M683 HydrophobicContact CB-CE 3.96Å; C661-M683 HydrophobicContact CB-SD 4.15Å; C661-M683 VanDerWaalsContact SG-SD 3.67Å; M667-M683 HydrophobicContact CE-CE 3.65Å; M667-M683 HydrophobicContact CE-SD 3.41Å; M667-M683 WeakPolarHBondContact CE-SD 3.19Å; W670-M683 HydrophobicContact CB-CE 3.72Å; W670-M683 HydrophobicContact CE3-CB 3.87Å; W670-M683 HydrophobicContact CG-CE 4.44Å; W670-M683 HydrophobicContact CZ3-CB 4.31Å; T671-M683 WeakPolarHBondContact O-CA 3.16Å; A672-M683 HydrophobicContact CB-CE 4.02Å; A672-M683 HydrophobicContact CB-CG 4.09Å; V681-M683 HydrophobicContact CG1-CG 4.15Å; M683-L715 HydrophobicContact SD-CD1 4.23Å
684	T	37.4	Very low	31	Very low	43 Å²	43	101.2 Å²	101.2	26%	0.264	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.1	-176.6	34.1	0	0	0	0	108.8	W670 T671	W670-T684 CarbonylContact C-O 3.59Å; W670-T684 WeakPolarHBondContact CA-O 3.32Å; W670-T684 WeakPolarHBondContact CB-O 3.43Å; T671-T684 PolarHBondContact N-O 2.82Å; T671-T684 PolarHBondContact O-N 2.94Å; T671-T684 PolarHBondContact OG1-O 3.46Å; T671-T684 VanDerWaalsContact OG1-O 3.08Å; T671-T684 PolarHBondContact OG1-OG1 2.68Å
685	K	36.6	Very low	30.4	Very low	108 Å²	108	104 Å²	104	47%	0.47	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.3	137	179.3	-177.4	-140	159.4	-129.7	0	108.8	W670 G687	W670-K685 HydrophobicContact CD2-CB 3.91Å; W670-K685 HydrophobicContact CD2-CG 4.45Å; W670-K685 HydrophobicContact CE3-CB 4.13Å; W670-K685 HydrophobicContact CG-CB 4.26Å; K685-G687 PolarHBondContact NZ-O 3.05Å; K685-G687 PolarHBondContact O-N 3.22Å
686	D	34.5	Very low	29.7	Very low	108 Å²	108	113.1 Å²	113.1	58%	0.578	59%	0.594	S	S	*	*	S	Bend	trans	-62.8	128.2	171.9	-65.1	-37	0	0	0	110.5	T669	T669-D686 PolarHBondContact O-N 3.49Å
687	G	32.4	Very low	29.3	Very low	50 Å²	50	115.7 Å²	115.7	52%	0.515	62%	0.615	S	S	.	*	S	Bend	trans	83.2	94.7	-176.6	0	0	0	0	0	113.7	K685 V689	K685-G687 PolarHBondContact NZ-O 3.05Å; K685-G687 PolarHBondContact O-N 3.22Å; G687-V689 PolarHBondContact O-N 3.08Å
688	D	24.1	Very low	28.7	Very low	171 Å²	171	120.6 Å²	120.6	91%	0.914	62%	0.616	S	S	*	*			trans	-66.3	114.6	170	-128.1	-25.3	0	0	0	110.3
689	V	23.1	Very low	28.1	Very low	130 Å²	130	120 Å²	120	79%	0.788	62%	0.62	S	S	*	*			trans	-136.7	93.4	175.4	-177.3	0	0	0	0	107.6	G687	G687-V689 PolarHBondContact O-N 3.08Å
690	G	23.8	Very low	27.8	Very low	59 Å²	59	120.7 Å²	120.7	61%	0.608	62%	0.621	S	S	*	*			trans	-74.6	179.1	-173.7	0	0	0	0	0	115.2
691	R	22.4	Very low	27.2	Very low	237 Å²	237	128.1 Å²	128.1	89%	0.894	65%	0.653	S	S	*	*			trans	78.7	152.7	179.9	-47.5	170.7	-177.8	-171.6	0.6	115.5
692	P	22.1	Very low	26.6	Very low	112 Å²	112	134 Å²	134	73%	0.727	68%	0.684	S	S	*	*			cis	-120.7	175.9	-27.2	34	-17.7	0	0	0	112.2
693	Q	21.3	Very low	25.8	Very low	202 Å²	202	131.9 Å²	131.9	94%	0.944	68%	0.683	S	S	*	*			trans	-63.6	139	161.9	-84.7	-179.1	-27.7	0	0	109.9
694	M	23	Very low	25	Very low	175 Å²	175	137.1 Å²	137.1	86%	0.862	71%	0.711	S	S	*	*			trans	-125.4	124.5	175.1	-165.9	168.9	-177	0	0	109.4
695	S	22.4	Very low	24.2	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	73%	0.733	S	S	*	*			trans	-78	133.8	-170.3	38.8	0	0	0	0	112.9	N697	S695-N697 PolarHBondContact O-N 2.96Å
696	W	22.8	Very low	23.4	Very low	219 Å²	219	141.6 Å²	141.6	83%	0.83	75%	0.745	S	S	*	*			trans	-90.6	86.5	173.5	-77.7	50.3	0	0	0	110.7
697	N	21.8	Very low	22.9	Very low	140 Å²	140	142.7 Å²	142.7	75%	0.749	74%	0.742	S	S	*	*			trans	-103.6	144.7	160.9	-80.2	13.2	0	0	0	109.4	S695	S695-N697 PolarHBondContact O-N 2.96Å
698	W	21.6	Very low	22.4	Very low	216 Å²	216	144.8 Å²	144.8	82%	0.818	75%	0.749	S	S	*	*			trans	-101	-4.3	-156.5	-87.4	42.4	0	0	0	116.2
699	D	21.4	Very low	22.4	Very low	133 Å²	133	138.6 Å²	138.6	71%	0.711	72%	0.717	S	S	*	*			trans	-89.9	-13.1	-155.2	-60	-60.2	0	0	0	117.4	H701	D699-H701 PolarHBondContact O-N 3.34Å; D699-H701 PolarHBondContact O-ND1 3.48Å
700	T	23	Very low	22.5	Very low	100 Å²	100	141.4 Å²	141.4	61%	0.613	71%	0.714	S	S	*	*			trans	-88.1	102.2	-169.3	42	0	0	0	0	114.5	N702	T700-N702 PolarHBondContact O-N 3.43Å
701	H	22.8	Very low	22.5	Very low	186 Å²	186	140.5 Å²	140.5	86%	0.861	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	19.4	178.7	-75.4	52.3	0	0	0	116.1	D699	D699-H701 PolarHBondContact O-N 3.34Å; D699-H701 PolarHBondContact O-ND1 3.48Å
702	N	21.8	Very low	22.6	Very low	144 Å²	144	130.9 Å²	130.9	77%	0.77	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	16.2	-167.2	-75.3	-8.8	0	0	0	114.9	T700 L704	T700-N702 PolarHBondContact O-N 3.43Å; N702-L704 PolarHBondContact O-N 2.76Å
703	L	23.4	Very low	22.9	Very low	96 Å²	96	127.2 Å²	127.2	50%	0.503	65%	0.652	S	S	.	*			trans	-74.7	39.1	-167.5	-77.8	164.3	0	0	0	116.4	Y707	L703-Y707 HydrophobicContact CB-CE2 4.4Å; L703-Y707 VanDerWaalsContact O-CE2 3.24Å; L703-Y707 WeakPolarHBondContact O-CE2 3.32Å
704	L	22.2	Very low	23.4	Very low	144 Å²	144	119.8 Å²	119.8	75%	0.754	62%	0.617	S	S	*	*	S	Bend	trans	-84.1	-8.1	177.1	-87.2	165.5	0	0	0	114.9	N702	N702-L704 PolarHBondContact O-N 2.76Å
705	C	21	Very low	23.9	Very low	110 Å²	110	113 Å²	113	74%	0.743	58%	0.584	S	S	*	*	S	Bend	trans	-120.6	-11	-160.5	-58.5	0	0	0	0	117.8
706	D	21.1	Very low	24.5	Very low	134 Å²	134	113 Å²	113	72%	0.717	57%	0.572	S	S	*	*			trans	-120.6	9.4	-162	-84.6	-57.9	0	0	0	116.8	S708	D706-S708 VanDerWaalsContact C-N 3.3Å; D706-S708 PolarHBondContact O-N 2.97Å
707	Y	23.2	Very low	25	Very low	131 Å²	131	107 Å²	107	51%	0.514	55%	0.549	S	S	.	.			trans	-75.7	63.9	-170.7	-79.7	-66.9	0	0	0	116	L703 V709	L703-Y707 HydrophobicContact CB-CE2 4.4Å; L703-Y707 VanDerWaalsContact O-CE2 3.24Å; L703-Y707 WeakPolarHBondContact O-CE2 3.32Å; Y707-V709 PolarHBondContact O-N 3.45Å; Y707-V709 VanDerWaalsContact O-N 3.08Å
708	S	21.8	Very low	25.7	Very low	94 Å²	94	103.7 Å²	103.7	66%	0.657	53%	0.534	S	S	*	.			trans	-76.4	86	162.8	61.6	0	0	0	0	111.2	D706 R710	D706-S708 VanDerWaalsContact C-N 3.3Å; D706-S708 PolarHBondContact O-N 2.97Å; S708-R710 VanDerWaalsContact C-N 3.35Å; S708-R710 PolarHBondContact O-N 3.25Å
709	V	25.1	Very low	26.2	Very low	41 Å²	41	93.6 Å²	93.6	25%	0.248	50%	0.498	C	S	.	.			trans	-71	82	-175	-173.8	0	0	0	0	112.1	Y707 S713	Y707-V709 PolarHBondContact O-N 3.45Å; Y707-V709 VanDerWaalsContact O-N 3.08Å; V709-S713 WeakPolarHBondContact CG1-OG 3.32Å
710	R	23.9	Very low	26.8	Very low	190 Å²	190	90.1 Å²	90.1	72%	0.717	48%	0.484	S	S	*	.			trans	-64.8	135.3	175.4	-62.4	-175.5	-177.3	-164.5	-0.2	111	S708 G712 S713	S708-R710 VanDerWaalsContact C-N 3.35Å; S708-R710 PolarHBondContact O-N 3.25Å; R710-G712 VanDerWaalsContact C-N 3.29Å; R710-G712 PolarHBondContact O-N 3.29Å; R710-S713 WeakPolarHBondContact O-CB 3.46Å; R710-S713 PolarHBondContact O-N 3.49Å; R710-S713 PolarHBondContact O-OG 2.8Å
711	A	24.4	Very low	27.2	Very low	39 Å²	39	89.5 Å²	89.5	32%	0.322	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-32.9	-165.8	0	0	0	0	0	116.2	H666 W670 S713 H714	H666-A711 HydrophobicContact CB-CB 4.5Å; W670-A711 HydrophobicContact CZ2-CB 4.22Å; A711-S713 PolarHBondContact O-N 2.93Å; A711-S713 VanDerWaalsContact O-N 3.17Å; A711-H714 VanDerWaalsContact O-CB 3.3Å; A711-H714 WeakPolarHBondContact O-CB 3.2Å; A711-H714 PolarHBondContact O-N 3.03Å
712	G	24.9	Very low	27.6	Very low	36 Å²	36	83.8 Å²	83.8	37%	0.371	46%	0.464	S	S	.	.	H	α-helix	trans	-59.4	-26.3	176.6	0	0	0	0	0	114.1	R710 H714 L715 H716	R710-G712 VanDerWaalsContact C-N 3.29Å; R710-G712 PolarHBondContact O-N 3.29Å; G712-H714 VanDerWaalsContact C-N 3.28Å; G712-H714 PolarHBondContact O-N 2.95Å; G712-L715 PolarHBondContact O-N 2.86Å; G712-H716 PolarHBondContact O-N 3.32Å
713	S	28.9	Very low	27.8	Very low	35 Å²	35	80 Å²	80	25%	0.245	46%	0.459	C	S	.	.	H	α-helix	trans	-67.7	-26.5	173.7	66.3	0	0	0	0	113.1	V709 R710 A711 R717	V709-S713 WeakPolarHBondContact CG1-OG 3.32Å; R710-S713 WeakPolarHBondContact O-CB 3.46Å; R710-S713 PolarHBondContact O-N 3.49Å; R710-S713 PolarHBondContact O-OG 2.8Å; A711-S713 PolarHBondContact O-N 2.93Å; A711-S713 VanDerWaalsContact O-N 3.17Å; S713-R717 WeakPolarHBondContact O-CB 3.18Å; S713-R717 WeakPolarHBondContact O-CD 3.37Å; S713-R717 WeakPolarHBondContact O-CG 3.32Å; S713-R717 PolarHBondContact O-N 3.04Å; S713-R717 PolarHBondContact OG-NH1 3.04Å
714	H	31.1	Very low	28.2	Very low	46 Å²	46	77.5 Å²	77.5	21%	0.213	44%	0.444	C	S	.	.	H	α-helix	trans	-72	-41.4	179.1	-142	-46.2	0	0	0	111.1	H666 A711 G712 R717 V718	H666-H714 AromaticContact CD2-CD2 3.76Å; A711-H714 VanDerWaalsContact O-CB 3.3Å; A711-H714 WeakPolarHBondContact O-CB 3.2Å; A711-H714 PolarHBondContact O-N 3.03Å; G712-H714 VanDerWaalsContact C-N 3.28Å; G712-H714 PolarHBondContact O-N 2.95Å; H714-R717 PolarHBondContact O-N 3.2Å; H714-V718 WeakPolarHBondContact O-CG2 3.26Å; H714-V718 PolarHBondContact O-N 2.69Å
715	L	32.9	Very low	28.4	Very low	31 Å²	31	75.7 Å²	75.7	16%	0.162	44%	0.435	C	S	.	.	H	α-helix	trans	-67.7	-42.6	178	-136.6	163.2	0	0	0	111	M667 W670 M683 G712 G719 P732 F734	M667-L715 HydrophobicContact CE-CD1 3.98Å; M667-L715 HydrophobicContact CE-CG 4.29Å; W670-L715 HydrophobicContact CH2-CD1 4.11Å; W670-L715 HydrophobicContact CZ3-CD1 3.98Å; M683-L715 HydrophobicContact SD-CD1 4.23Å; G712-L715 PolarHBondContact O-N 2.86Å; L715-G719 PolarHBondContact O-N 3.49Å; L715-P732 HydrophobicContact CD2-CG 4.26Å; L715-F734 HydrophobicContact CD2-CZ 4.17Å
716	H	35.9	Very low	28.7	Very low	107 Å²	107	74.6 Å²	74.6	50%	0.495	42%	0.418	S	S	.	.	H	α-helix	trans	-63.4	-40.7	171.8	-101.4	-71.2	0	0	0	113.2	G712 G719 S720	G712-H716 PolarHBondContact O-N 3.32Å; H716-G719 PolarHBondContact O-N 2.98Å; H716-S720 PolarHBondContact O-N 3.3Å; H716-S720 PolarHBondContact O-OG 3.03Å
717	R	33.4	Very low	28.9	Very low	94 Å²	94	72 Å²	72	36%	0.355	42%	0.415	S	S	.	.	H	α-helix	trans	-67.7	-40.9	178.9	-76.2	167.4	-176.9	151.7	-1.3	112.5	S713 H714 S720 A721	S713-R717 WeakPolarHBondContact O-CB 3.18Å; S713-R717 WeakPolarHBondContact O-CD 3.37Å; S713-R717 WeakPolarHBondContact O-CG 3.32Å; S713-R717 PolarHBondContact O-N 3.04Å; S713-R717 PolarHBondContact OG-NH1 3.04Å; H714-R717 PolarHBondContact O-N 3.2Å; R717-S720 PolarHBondContact O-N 3.46Å; R717-A721 WeakPolarHBondContact O-CB 3.37Å; R717-A721 PolarHBondContact O-N 2.84Å
718	V	35	Very low	29.1	Very low	70 Å²	70	74.9 Å²	74.9	42%	0.424	43%	0.433	S	S	.	.	H	α-helix	trans	-63.9	-42.5	172.4	171.2	0	0	0	0	110.6	H714 A721 L722	H714-V718 WeakPolarHBondContact O-CG2 3.26Å; H714-V718 PolarHBondContact O-N 2.69Å; V718-A721 PolarHBondContact O-N 3.49Å; V718-L722 HydrophobicContact CG1-CD1 3.72Å; V718-L722 WeakPolarHBondContact O-CB 3.21Å; V718-L722 VanDerWaalsContact O-CG 3.28Å; V718-L722 WeakPolarHBondContact O-CG 3.19Å; V718-L722 PolarHBondContact O-N 3.5Å; V718-L722 VanDerWaalsContact O-N 3.07Å
719	G	33	Very low	29.3	Very low	5 Å²	5	74.4 Å²	74.4	5%	0.052	44%	0.443	C	S	.	.	H	α-helix	trans	-57.5	-48.2	173	0	0	0	0	0	113.1	L715 H716 L722 G723 F724	L715-G719 PolarHBondContact O-N 3.49Å; H716-G719 PolarHBondContact O-N 2.98Å; G719-L722 CarbonylContact O-C 3.59Å; G719-L722 PolarHBondContact O-N 2.88Å; G719-G723 PolarHBondContact O-N 3.08Å; G719-F724 PolarHBondContact O-N 2.96Å
720	S	33.7	Very low	29.4	Very low	60 Å²	60	77.8 Å²	77.8	42%	0.42	46%	0.456	S	S	.	.	H	α-helix	trans	-64.7	-42	177.4	-65.5	0	0	0	0	113.2	H716 R717 L722 G723	H716-S720 PolarHBondContact O-N 3.3Å; H716-S720 PolarHBondContact O-OG 3.03Å; R717-S720 PolarHBondContact O-N 3.46Å; S720-L722 PolarHBondContact O-N 2.92Å; S720-G723 PolarHBondContact O-N 2.91Å
721	A	32.1	Very low	29.7	Very low	87 Å²	87	74 Å²	74	72%	0.719	45%	0.454	S	S	*	.	H	α-helix	trans	-66.9	-24.4	178.1	0	0	0	0	0	113.2	R717 V718	R717-A721 WeakPolarHBondContact O-CB 3.37Å; R717-A721 PolarHBondContact O-N 2.84Å; V718-A721 PolarHBondContact O-N 3.49Å
722	L	29.8	Very low	29.9	Very low	66 Å²	66	73.7 Å²	73.7	35%	0.346	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	6.6	176.5	-62.7	173.1	0	0	0	113.2	V718 G719 S720 F724 F743	V718-L722 HydrophobicContact CG1-CD1 3.72Å; V718-L722 WeakPolarHBondContact O-CB 3.21Å; V718-L722 VanDerWaalsContact O-CG 3.28Å; V718-L722 WeakPolarHBondContact O-CG 3.19Å; V718-L722 PolarHBondContact O-N 3.5Å; V718-L722 VanDerWaalsContact O-N 3.07Å; G719-L722 CarbonylContact O-C 3.59Å; G719-L722 PolarHBondContact O-N 2.88Å; S720-L722 PolarHBondContact O-N 2.92Å; L722-F724 VanDerWaalsContact C-N 3.26Å; L722-F724 HydrophobicContact CB-CD2 3.66Å; L722-F724 HydrophobicContact CB-CE1 4.47Å; L722-F724 HydrophobicContact CB-CE2 3.5Å; L722-F724 VanDerWaalsContact CB-CE2 3.5Å; L722-F724 HydrophobicContact CB-CG 4.22Å; L722-F724 HydrophobicContact CB-CZ 3.94Å; L722-F724 HydrophobicContact CD1-CD2 4.22Å; L722-F724 HydrophobicContact CD1-CE2 3.62Å; L722-F724 HydrophobicContact CD1-CZ 4.41Å; L722-F724 HydrophobicContact CG-CE2 4.2Å; L722-F724 PolarHBondContact O-N 3.16Å; L722-F743 HydrophobicContact CD2-CE1 4.23Å; L722-F743 HydrophobicContact CD2-CE2 4.25Å; L722-F743 HydrophobicContact CD2-CZ 3.8Å
723	G	26.8	Very low	30.2	Very low	64 Å²	64	74.4 Å²	74.4	66%	0.66	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	7.2	178.9	0	0	0	0	0	115.5	G719 S720 N725	G719-G723 PolarHBondContact O-N 3.08Å; S720-G723 PolarHBondContact O-N 2.91Å; G723-N725 PolarHBondContact O-N 3.14Å
724	F	31.8	Very low	30.2	Very low	44 Å²	44	74 Å²	74	19%	0.193	44%	0.438	C	S	.	.			trans	-77.4	21.5	-179.1	-54.1	-37.9	0	0	0	114	G719 L722 K726 F734	G719-F724 PolarHBondContact O-N 2.96Å; L722-F724 VanDerWaalsContact C-N 3.26Å; L722-F724 HydrophobicContact CB-CD2 3.66Å; L722-F724 HydrophobicContact CB-CE1 4.47Å; L722-F724 HydrophobicContact CB-CE2 3.5Å; L722-F724 VanDerWaalsContact CB-CE2 3.5Å; L722-F724 HydrophobicContact CB-CG 4.22Å; L722-F724 HydrophobicContact CB-CZ 3.94Å; L722-F724 HydrophobicContact CD1-CD2 4.22Å; L722-F724 HydrophobicContact CD1-CE2 3.62Å; L722-F724 HydrophobicContact CD1-CZ 4.41Å; L722-F724 HydrophobicContact CG-CE2 4.2Å; L722-F724 PolarHBondContact O-N 3.16Å; F724-K726 PolarHBondContact O-N 2.99Å; F724-F734 AromaticContact CD2-CD1 3.89Å; F724-F734 HydrophobicContact CD2-CD1 3.89Å; F724-F734 AromaticContact CD2-CE1 3.97Å; F724-F734 HydrophobicContact CD2-CE1 3.97Å; F724-F734 AromaticContact CE2-CD1 3.86Å; F724-F734 HydrophobicContact CE2-CD1 3.86Å; F724-F734 HydrophobicContact CE2-CE1 4.09Å
725	N	26.7	Very low	30.1	Very low	105 Å²	105	77.9 Å²	77.9	56%	0.561	46%	0.455	S	S	*	.			trans	-91.6	93.2	-170.7	-163.1	35.4	0	0	0	111.6	G723	G723-N725 PolarHBondContact O-N 3.14Å
726	K	27.8	Very low	30	Very low	87 Å²	87	78.8 Å²	78.8	38%	0.378	46%	0.463	S	S	.	.			trans	-69.6	151.4	162.4	-87.4	-179.2	154.7	-170.5	0	110.9	F724 E730 D733	F724-K726 PolarHBondContact O-N 2.99Å; K726-E730 VanDerWaalsContact CD-OE2 3.25Å; K726-E730 WeakPolarHBondContact CD-OE2 3.44Å; K726-E730 WeakPolarHBondContact CE-OE2 3.26Å; K726-E730 IonicContact NZ-OE2 3.35Å; K726-E730 PolarHBondContact NZ-OE2 3.23Å; K726-D733 WeakPolarHBondContact CE-OD2 3.39Å; K726-D733 IonicContact NZ-OD2 3.47Å; K726-D733 PolarHBondContact NZ-OD2 3.38Å
727	A	25	Very low	29.7	Very low	81 Å²	81	74.9 Å²	74.9	67%	0.669	45%	0.45	S	S	*	.	S	Bend	trans	-71.3	143.8	178.9	0	0	0	0	0	112.5
728	H	26.5	Very low	29.5	Very low	191 Å²	191	76.8 Å²	76.8	88%	0.884	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	79.4	165.3	-66.7	-64.3	0	0	0	118.2	E730	H728-E730 PolarHBondContact O-N 3.39Å
729	G	26	Very low	29.5	Very low	84 Å²	84	78.6 Å²	78.6	87%	0.866	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-3.2	151.7	0	0	0	0	0	117
730	E	27.5	Very low	29.4	Very low	111 Å²	111	79.7 Å²	79.7	52%	0.519	47%	0.468	S	S	.	.			trans	-72.3	148.4	166.7	-62	-167.5	169.5	0	0	111.1	K726 H728	K726-E730 VanDerWaalsContact CD-OE2 3.25Å; K726-E730 WeakPolarHBondContact CD-OE2 3.44Å; K726-E730 WeakPolarHBondContact CE-OE2 3.26Å; K726-E730 IonicContact NZ-OE2 3.35Å; K726-E730 PolarHBondContact NZ-OE2 3.23Å; H728-E730 PolarHBondContact O-N 3.39Å
731	T	29.7	Very low	29.3	Very low	112 Å²	112	77 Å²	77	69%	0.687	45%	0.45	S	S	*	.			trans	-61.9	146.6	168.9	39.2	0	0	0	0	110.8	D733	T731-D733 PolarHBondContact O-N 2.89Å; T731-D733 VanDerWaalsContact O-N 3.1Å
732	P	29.7	Very low	29.3	Very low	32 Å²	32	77.6 Å²	77.6	21%	0.208	44%	0.439	C	S	.	.			trans	-63.9	114.3	-178.4	25.6	-34	0	0	0	111.3	L715 F734	L715-P732 HydrophobicContact CD2-CG 4.26Å; P732-F734 HydrophobicContact CG-CE2 4.36Å; P732-F734 PolarHBondContact O-N 2.9Å; P732-F734 VanDerWaalsContact O-N 3.15Å
733	D	30.4	Very low	29.4	Very low	51 Å²	51	78.6 Å²	78.6	27%	0.273	44%	0.441	S	S	.	.			trans	-72.6	103.8	172.5	-82.3	-30.9	0	0	0	109.7	K726 T731 F735	K726-D733 WeakPolarHBondContact CE-OD2 3.39Å; K726-D733 IonicContact NZ-OD2 3.47Å; K726-D733 PolarHBondContact NZ-OD2 3.38Å; T731-D733 PolarHBondContact O-N 2.89Å; T731-D733 VanDerWaalsContact O-N 3.1Å; D733-F735 WeakPolarHBondContact O-CD2 3.42Å; D733-F735 PolarHBondContact O-N 3.11Å
734	F	29.5	Very low	29.7	Very low	27 Å²	27	75.9 Å²	75.9	12%	0.118	41%	0.412	C	S	.	.			trans	-70	95.7	174.3	-73.9	-71.8	0	0	0	110.9	V681 L715 F724 P732 S736 M740	V681-F734 HydrophobicContact CB-CD2 4.4Å; L715-F734 HydrophobicContact CD2-CZ 4.17Å; F724-F734 AromaticContact CD2-CD1 3.89Å; F724-F734 HydrophobicContact CD2-CD1 3.89Å; F724-F734 AromaticContact CD2-CE1 3.97Å; F724-F734 HydrophobicContact CD2-CE1 3.97Å; F724-F734 AromaticContact CE2-CD1 3.86Å; F724-F734 HydrophobicContact CE2-CD1 3.86Å; F724-F734 HydrophobicContact CE2-CE1 4.09Å; P732-F734 HydrophobicContact CG-CE2 4.36Å; P732-F734 PolarHBondContact O-N 2.9Å; P732-F734 VanDerWaalsContact O-N 3.15Å; F734-S736 PolarHBondContact O-N 3.3Å; F734-S736 VanDerWaalsContact O-N 3.09Å; F734-M740 HydrophobicContact CB-CE 4.42Å; F734-M740 HydrophobicContact CB-SD 3.66Å; F734-M740 HydrophobicContact CD1-CE 3.4Å; F734-M740 HydrophobicContact CD1-SD 3.76Å; F734-M740 HydrophobicContact CE1-CE 3.72Å; F734-M740 HydrophobicContact CG-CE 3.95Å; F734-M740 HydrophobicContact CG-SD 3.85Å; F734-M740 HydrophobicContact CZ-CE 4.5Å
735	F	29.1	Very low	29.6	Very low	127 Å²	127	80.1 Å²	80.1	56%	0.557	43%	0.426	S	S	*	.			trans	-59.4	112.7	-179.2	-85.1	-92.1	0	0	0	112.5	D733 Q739	D733-F735 WeakPolarHBondContact O-CD2 3.42Å; D733-F735 PolarHBondContact O-N 3.11Å; F735-Q739 PolarHBondContact O-OE1 2.82Å
736	S	30.7	Very low	29.8	Very low	49 Å²	49	81.3 Å²	81.3	34%	0.343	43%	0.429	S	S	.	.			trans	45.4	121.9	-179.9	84.6	0	0	0	0	116.5	F734 K738 Q739 M740	F734-S736 PolarHBondContact O-N 3.3Å; F734-S736 VanDerWaalsContact O-N 3.09Å; S736-K738 PolarHBondContact O-N 3.06Å; S736-Q739 PolarHBondContact O-N 3.11Å; S736-Q739 WeakPolarHBondContact OG-CB 3.33Å; S736-Q739 VanDerWaalsContact OG-CG 3.26Å; S736-Q739 WeakPolarHBondContact OG-CG 3.35Å; S736-Q739 PolarHBondContact OG-N 2.9Å; S736-Q739 VanDerWaalsContact OG-N 3.11Å; S736-Q739 PolarHBondContact OG-OE1 2.83Å; S736-M740 PolarHBondContact O-N 2.76Å
737	A	28.8	Very low	30	Very low	26 Å²	26	79.4 Å²	79.4	22%	0.215	42%	0.424	C	S	.	.	H	α-helix	trans	-52	-28.7	169.1	0	0	0	0	0	111.9	A653 G741	A653-A737 WeakPolarHBondContact CA-O 3.37Å; A653-A737 HydrophobicContact CB-CB 3.7Å; A653-A737 WeakPolarHBondContact CB-O 3.48Å; A737-G741 WeakPolarHBondContact O-CA 3.48Å; A737-G741 PolarHBondContact O-N 3.27Å
738	K	31.1	Very low	30.2	Very low	134 Å²	134	77.9 Å²	77.9	58%	0.583	41%	0.412	S	S	*	.	H	α-helix	trans	-67.3	-38.6	173.7	-171.2	173.3	-175.9	173	0	113.7	S736 M742	S736-K738 PolarHBondContact O-N 3.06Å; K738-M742 WeakPolarHBondContact O-CB 3.14Å; K738-M742 WeakPolarHBondContact O-CG 3.1Å; K738-M742 PolarHBondContact O-N 3.14Å
739	Q	34.4	Very low	30.3	Very low	108 Å²	108	72.9 Å²	72.9	51%	0.505	40%	0.398	S	S	.	.	H	α-helix	trans	-72.9	-41.6	173.6	-75.6	165.2	-64.8	0	0	111.2	F735 S736 G741 M742 F743	F735-Q739 PolarHBondContact O-OE1 2.82Å; S736-Q739 PolarHBondContact O-N 3.11Å; S736-Q739 WeakPolarHBondContact OG-CB 3.33Å; S736-Q739 VanDerWaalsContact OG-CG 3.26Å; S736-Q739 WeakPolarHBondContact OG-CG 3.35Å; S736-Q739 PolarHBondContact OG-N 2.9Å; S736-Q739 VanDerWaalsContact OG-N 3.11Å; S736-Q739 PolarHBondContact OG-OE1 2.83Å; Q739-G741 VanDerWaalsContact C-N 3.32Å; Q739-G741 PolarHBondContact O-N 3.23Å; Q739-M742 HydrophobicContact CG-CE 4.23Å; Q739-M742 PolarHBondContact O-N 3.27Å; Q739-F743 VanDerWaalsContact O-CB 3.3Å; Q739-F743 WeakPolarHBondContact O-CB 3.49Å; Q739-F743 PolarHBondContact O-N 2.85Å
740	M	31.1	Very low	30.5	Very low	27 Å²	27	73.1 Å²	73.1	13%	0.133	38%	0.379	C	S	.	.	H	α-helix	trans	-60.4	-41.3	170.7	-71.8	-172.5	97	0	0	112	P657 F734 S736 F743 V744	P657-M740 HydrophobicContact CB-CE 3.75Å; P657-M740 HydrophobicContact CB-SD 4.11Å; P657-M740 HydrophobicContact CG-CB 3.86Å; P657-M740 HydrophobicContact CG-CE 3.8Å; P657-M740 HydrophobicContact CG-CG 4.39Å; P657-M740 HydrophobicContact CG-SD 3.62Å; F734-M740 HydrophobicContact CB-CE 4.42Å; F734-M740 HydrophobicContact CB-SD 3.66Å; F734-M740 HydrophobicContact CD1-CE 3.4Å; F734-M740 HydrophobicContact CD1-SD 3.76Å; F734-M740 HydrophobicContact CE1-CE 3.72Å; F734-M740 HydrophobicContact CG-CE 3.95Å; F734-M740 HydrophobicContact CG-SD 3.85Å; F734-M740 HydrophobicContact CZ-CE 4.5Å; S736-M740 PolarHBondContact O-N 2.76Å; M740-F743 PolarHBondContact O-N 3.09Å; M740-V744 WeakPolarHBondContact O-CB 3.03Å; M740-V744 WeakPolarHBondContact O-CG2 3.12Å; M740-V744 PolarHBondContact O-N 3.14Å
741	G	30.2	Very low	30.6	Very low	4 Å²	4	70 Å²	70	4%	0.041	37%	0.372	C	S	.	.	H	α-helix	trans	-68.5	-37	177.1	0	0	0	0	0	113	Q656 A737 Q739 R745	Q656-G741 VanDerWaalsContact OE1-CA 3.27Å; Q656-G741 PolarHBondContact OE1-O 3.08Å; A737-G741 WeakPolarHBondContact O-CA 3.48Å; A737-G741 PolarHBondContact O-N 3.27Å; Q739-G741 VanDerWaalsContact C-N 3.32Å; Q739-G741 PolarHBondContact O-N 3.23Å; G741-R745 WeakPolarHBondContact O-CB 3.27Å; G741-R745 WeakPolarHBondContact O-CG 3.34Å; G741-R745 PolarHBondContact O-N 2.8Å
742	M	32.2	Very low	30.4	Very low	99 Å²	99	66.2 Å²	66.2	49%	0.488	36%	0.355	S	S	.	.	H	α-helix	trans	-66.2	-43.8	169.5	-74.7	-172.4	-53.3	0	0	111.5	K738 Q739 R745 Q746	K738-M742 WeakPolarHBondContact O-CB 3.14Å; K738-M742 WeakPolarHBondContact O-CG 3.1Å; K738-M742 PolarHBondContact O-N 3.14Å; Q739-M742 HydrophobicContact CG-CE 4.23Å; Q739-M742 PolarHBondContact O-N 3.27Å; M742-R745 PolarHBondContact O-N 2.85Å; M742-Q746 VanDerWaalsContact O-CB 3.32Å; M742-Q746 WeakPolarHBondContact O-CB 3.42Å; M742-Q746 WeakPolarHBondContact O-CG 3.4Å; M742-Q746 PolarHBondContact O-N 2.9Å
743	F	33.5	Very low	30.2	Very low	87 Å²	87	65.8 Å²	65.8	38%	0.382	36%	0.357	S	S	.	.	H	α-helix	trans	-66	-40.9	179.1	-180	-104.9	0	0	0	112.2	L722 Q739 M740 Q746 V747	L722-F743 HydrophobicContact CD2-CE1 4.23Å; L722-F743 HydrophobicContact CD2-CE2 4.25Å; L722-F743 HydrophobicContact CD2-CZ 3.8Å; Q739-F743 VanDerWaalsContact O-CB 3.3Å; Q739-F743 WeakPolarHBondContact O-CB 3.49Å; Q739-F743 PolarHBondContact O-N 2.85Å; M740-F743 PolarHBondContact O-N 3.09Å; F743-Q746 CarbonylContact O-C 3.57Å; F743-Q746 WeakPolarHBondContact O-CB 3.24Å; F743-Q746 PolarHBondContact O-N 3.48Å; F743-V747 HydrophobicContact CD1-CG2 4.3Å; F743-V747 HydrophobicContact CD2-CG2 4.32Å; F743-V747 HydrophobicContact CE1-CG2 3.91Å; F743-V747 HydrophobicContact CE2-CG2 3.94Å; F743-V747 HydrophobicContact CZ-CG2 3.72Å; F743-V747 WeakPolarHBondContact O-CB 3.46Å; F743-V747 VanDerWaalsContact O-CG2 3.29Å; F743-V747 WeakPolarHBondContact O-CG2 3.28Å; F743-V747 PolarHBondContact O-N 2.83Å
744	V	31.7	Very low	30.2	Very low	7 Å²	7	66 Å²	66	4%	0.042	36%	0.358	C	S	.	.	H	α-helix	trans	-82	-25.6	177.2	-178.7	0	0	0	0	111.7	Q656 L660 M740 Q746 A748	Q656-V744 HydrophobicContact CB-CB 3.76Å; Q656-V744 HydrophobicContact CB-CG1 3.62Å; Q656-V744 HydrophobicContact CB-CG2 4.46Å; Q656-V744 HydrophobicContact CG-CB 4.34Å; Q656-V744 HydrophobicContact CG-CG1 3.97Å; Q656-V744 VanDerWaalsContact NE2-C 3.31Å; Q656-V744 PolarHBondContact NE2-O 2.81Å; L660-V744 HydrophobicContact CD1-CG1 4.06Å; L660-V744 HydrophobicContact CD1-CG2 4.42Å; L660-V744 HydrophobicContact CD2-CG2 4.38Å; M740-V744 WeakPolarHBondContact O-CB 3.03Å; M740-V744 WeakPolarHBondContact O-CG2 3.12Å; M740-V744 PolarHBondContact O-N 3.14Å; V744-Q746 VanDerWaalsContact C-N 3.35Å; V744-A748 WeakPolarHBondContact O-CA 3.4Å; V744-A748 WeakPolarHBondContact O-CB 3.32Å; V744-A748 PolarHBondContact O-N 3.38Å
745	R	29.4	Very low	30	Very low	133 Å²	133	67.7 Å²	67.7	50%	0.502	37%	0.365	S	S	.	.	H	α-helix	trans	-61.7	-44.8	161.2	-88.6	-174.7	157.7	147.7	-2.1	110.4	V652 Q656 G741 M742 S749	V652-R745 HydrophobicContact CG1-CG 4.1Å; Q656-R745 VanDerWaalsContact NE2-N 3.18Å; G741-R745 WeakPolarHBondContact O-CB 3.27Å; G741-R745 WeakPolarHBondContact O-CG 3.34Å; G741-R745 PolarHBondContact O-N 2.8Å; M742-R745 PolarHBondContact O-N 2.85Å; R745-S749 WeakPolarHBondContact O-CB 3.49Å; R745-S749 PolarHBondContact O-N 3.36Å; R745-S749 PolarHBondContact O-OG 3.25Å
746	Q	31.7	Very low	29.8	Very low	130 Å²	130	68.7 Å²	68.7	61%	0.607	37%	0.372	S	S	*	.	H	α-helix	trans	-61.2	-53	175.6	-75.9	164.9	-8	0	0	110.8	M742 F743 V744 S749 L750	M742-Q746 VanDerWaalsContact O-CB 3.32Å; M742-Q746 WeakPolarHBondContact O-CB 3.42Å; M742-Q746 WeakPolarHBondContact O-CG 3.4Å; M742-Q746 PolarHBondContact O-N 2.9Å; F743-Q746 CarbonylContact O-C 3.57Å; F743-Q746 WeakPolarHBondContact O-CB 3.24Å; F743-Q746 PolarHBondContact O-N 3.48Å; V744-Q746 VanDerWaalsContact C-N 3.35Å; Q746-S749 CarbonylContact O-C 3.57Å; Q746-S749 PolarHBondContact O-N 3.07Å; Q746-L750 WeakPolarHBondContact O-CB 2.97Å; Q746-L750 PolarHBondContact O-N 3.25Å
747	V	32.3	Very low	29.6	Very low	48 Å²	48	68 Å²	68	29%	0.291	37%	0.365	S	S	.	.	H	α-helix	trans	-70.3	-32.6	-178.1	171.2	0	0	0	0	113.1	F743 L750 A751	F743-V747 HydrophobicContact CD1-CG2 4.3Å; F743-V747 HydrophobicContact CD2-CG2 4.32Å; F743-V747 HydrophobicContact CE1-CG2 3.91Å; F743-V747 HydrophobicContact CE2-CG2 3.94Å; F743-V747 HydrophobicContact CZ-CG2 3.72Å; F743-V747 WeakPolarHBondContact O-CB 3.46Å; F743-V747 VanDerWaalsContact O-CG2 3.29Å; F743-V747 WeakPolarHBondContact O-CG2 3.28Å; F743-V747 PolarHBondContact O-N 2.83Å; V747-L750 PolarHBondContact O-N 2.84Å; V747-A751 WeakPolarHBondContact O-CB 3.48Å; V747-A751 PolarHBondContact O-N 3.22Å
748	A	28.9	Very low	29.5	Very low	49 Å²	49	70.5 Å²	70.5	41%	0.405	38%	0.375	S	S	.	.	H	α-helix	trans	-79.1	-28.3	173.6	0	0	0	0	0	112.5	V744 G752	V744-A748 WeakPolarHBondContact O-CA 3.4Å; V744-A748 WeakPolarHBondContact O-CB 3.32Å; V744-A748 PolarHBondContact O-N 3.38Å; A748-G752 VanDerWaalsContact O-CA 3.26Å; A748-G752 WeakPolarHBondContact O-CA 3.41Å; A748-G752 PolarHBondContact O-N 3.48Å
749	S	28.9	Very low	29.2	Very low	85 Å²	85	67.9 Å²	67.9	59%	0.594	38%	0.378	S	S	*	.	H	α-helix	trans	-75.5	-28.4	167	-53.3	0	0	0	0	111.4	R745 Q746 G753	R745-S749 WeakPolarHBondContact O-CB 3.49Å; R745-S749 PolarHBondContact O-N 3.36Å; R745-S749 PolarHBondContact O-OG 3.25Å; Q746-S749 CarbonylContact O-C 3.57Å; Q746-S749 PolarHBondContact O-N 3.07Å; S749-G753 WeakPolarHBondContact O-CA 3.29Å; S749-G753 PolarHBondContact O-N 3.37Å
750	L	30.3	Very low	28.7	Very low	89 Å²	89	66.7 Å²	66.7	47%	0.466	39%	0.386	S	S	.	.	H	α-helix	trans	-71.4	-49.8	172.8	-156.6	79.4	0	0	0	109.9	L103 Q746 V747 L754	L103-L750 HydrophobicContact CD1-CD1 4.29Å; L103-L750 HydrophobicContact CD2-CD1 3.79Å; Q746-L750 WeakPolarHBondContact O-CB 2.97Å; Q746-L750 PolarHBondContact O-N 3.25Å; V747-L750 PolarHBondContact O-N 2.84Å; L750-L754 HydrophobicContact CG-CD1 4.25Å; L750-L754 VanDerWaalsContact O-CB 3.22Å; L750-L754 WeakPolarHBondContact O-CB 3.3Å; L750-L754 WeakPolarHBondContact O-CD1 3.26Å; L750-L754 PolarHBondContact O-N 2.9Å
751	A	29.5	Very low	28.4	Very low	45 Å²	45	69.7 Å²	69.7	37%	0.372	40%	0.399	S	S	.	.	H	α-helix	trans	-74.2	-42.8	-179	0	0	0	0	0	112.3	V747 L754 F755	V747-A751 WeakPolarHBondContact O-CB 3.48Å; V747-A751 PolarHBondContact O-N 3.22Å; A751-L754 CarbonylContact O-C 3.53Å; A751-L754 WeakPolarHBondContact O-CB 3.32Å; A751-L754 PolarHBondContact O-N 2.88Å; A751-F755 WeakPolarHBondContact O-CB 3.28Å; A751-F755 PolarHBondContact O-N 2.85Å
752	G	25.9	Very low	28	Very low	33 Å²	33	73.4 Å²	73.4	34%	0.34	42%	0.424	S	S	.	.	H	α-helix	trans	-67.8	-40.3	172.9	0	0	0	0	0	112	A748 F755 E756	A748-G752 VanDerWaalsContact O-CA 3.26Å; A748-G752 WeakPolarHBondContact O-CA 3.41Å; A748-G752 PolarHBondContact O-N 3.48Å; G752-F755 CarbonylContact O-C 3.58Å; G752-F755 WeakPolarHBondContact O-CA 3.38Å; G752-F755 PolarHBondContact O-N 3.29Å; G752-E756 PolarHBondContact O-N 3.1Å
753	G	25.4	Very low	27.6	Very low	23 Å²	23	69.9 Å²	69.9	24%	0.237	41%	0.414	C	S	.	.	H	α-helix	trans	-64	-40.1	169.6	0	0	0	0	0	112.4	S749 F755 V757	S749-G753 WeakPolarHBondContact O-CA 3.29Å; S749-G753 PolarHBondContact O-N 3.37Å; G753-F755 PolarHBondContact O-N 2.99Å; G753-V757 WeakPolarHBondContact O-CB 3.39Å; G753-V757 WeakPolarHBondContact O-CG2 3.48Å; G753-V757 PolarHBondContact O-N 3.47Å
754	L	29.4	Very low	27.1	Very low	56 Å²	56	70.8 Å²	70.8	29%	0.293	42%	0.417	S	S	.	.	H	α-helix	trans	-60.7	-33.7	167.7	-104.5	112.5	0	0	0	111.3	L103 L750 A751 V757 L758	L103-L754 HydrophobicContact CD1-CD1 4.25Å; L750-L754 HydrophobicContact CG-CD1 4.25Å; L750-L754 VanDerWaalsContact O-CB 3.22Å; L750-L754 WeakPolarHBondContact O-CB 3.3Å; L750-L754 WeakPolarHBondContact O-CD1 3.26Å; L750-L754 PolarHBondContact O-N 2.9Å; A751-L754 CarbonylContact O-C 3.53Å; A751-L754 WeakPolarHBondContact O-CB 3.32Å; A751-L754 PolarHBondContact O-N 2.88Å; L754-V757 CarbonylContact O-C 3.56Å; L754-V757 PolarHBondContact O-N 3.3Å; L754-L758 WeakPolarHBondContact O-CB 3.26Å; L754-L758 WeakPolarHBondContact O-CD1 3.48Å; L754-L758 WeakPolarHBondContact O-CG 3.45Å; L754-L758 PolarHBondContact O-N 2.89Å
755	F	25.9	Very low	26.8	Very low	62 Å²	62	71.1 Å²	71.1	27%	0.272	42%	0.419	S	S	.	.	H	α-helix	trans	-80.1	-38.6	-176.6	-147	-111.1	0	0	0	113.3	A751 G752 G753 V757 L758 A759 P918 W919	A751-F755 WeakPolarHBondContact O-CB 3.28Å; A751-F755 PolarHBondContact O-N 2.85Å; G752-F755 CarbonylContact O-C 3.58Å; G752-F755 WeakPolarHBondContact O-CA 3.38Å; G752-F755 PolarHBondContact O-N 3.29Å; G753-F755 PolarHBondContact O-N 2.99Å; F755-V757 VanDerWaalsContact C-N 3.29Å; F755-L758 HydrophobicContact CD2-CB 4.47Å; F755-L758 HydrophobicContact CD2-CD1 3.88Å; F755-L758 HydrophobicContact CE2-CD1 4.35Å; F755-L758 CarbonylContact O-C 3.38Å; F755-L758 PolarHBondContact O-N 3.28Å; F755-L758 VanDerWaalsContact O-N 3.16Å; F755-A759 VanDerWaalsContact O-CB 3.28Å; F755-A759 WeakPolarHBondContact O-CB 3.32Å; F755-A759 PolarHBondContact O-N 3.22Å; F755-P918 HydrophobicContact CE1-CG 4.4Å; F755-P918 HydrophobicContact CZ-CB 4.01Å; F755-P918 HydrophobicContact CZ-CG 3.87Å; F755-W919 HydrophobicContact CB-CZ3 4.38Å; F755-W919 HydrophobicContact CD2-CD2 4.3Å; F755-W919 AromaticContact CD2-CE3 3.28Å; F755-W919 HydrophobicContact CD2-CE3 3.28Å; F755-W919 HydrophobicContact CD2-CH2 4.38Å; F755-W919 AromaticContact CD2-CZ3 3.33Å; F755-W919 HydrophobicContact CD2-CZ3 3.33Å; F755-W919 HydrophobicContact CE2-CB 4.45Å; F755-W919 AromaticContact CE2-CD2 3.84Å; F755-W919 HydrophobicContact CE2-CD2 3.84Å; F755-W919 AromaticContact CE2-CE3 3.24Å; F755-W919 HydrophobicContact CE2-CE3 3.24Å; F755-W919 HydrophobicContact CE2-CG 4.38Å; F755-W919 AromaticContact CE2-CZ3 3.69Å; F755-W919 HydrophobicContact CE2-CZ3 3.69Å; F755-W919 HydrophobicContact CG-CE3 4.26Å; F755-W919 AromaticContact CG-CZ3 3.87Å; F755-W919 HydrophobicContact CG-CZ3 3.87Å; F755-W919 HydrophobicContact CZ-CE3 4.2Å; F755-W919 HydrophobicContact CZ-CZ3 4.46Å
756	E	25.2	Very low	26.6	Very low	148 Å²	148	66.1 Å²	66.1	69%	0.692	41%	0.406	S	S	*	.	H	α-helix	trans	-64.9	-36.1	166.6	-69.3	-178.4	168.4	0	0	110.4	G752 L758 A759 A760	G752-E756 PolarHBondContact O-N 3.1Å; E756-L758 VanDerWaalsContact C-N 3.34Å; E756-L758 PolarHBondContact O-N 2.88Å; E756-A759 PolarHBondContact O-N 3.35Å; E756-A760 WeakPolarHBondContact O-CB 3.4Å; E756-A760 PolarHBondContact O-N 2.95Å
757	V	25.7	Very low	26.3	Very low	35 Å²	35	61.3 Å²	61.3	21%	0.212	39%	0.387	C	S	.	.	H	α-helix	trans	-68.4	-27.8	170.2	168.4	0	0	0	0	113	G753 L754 F755 F761 M768	G753-V757 WeakPolarHBondContact O-CB 3.39Å; G753-V757 WeakPolarHBondContact O-CG2 3.48Å; G753-V757 PolarHBondContact O-N 3.47Å; L754-V757 CarbonylContact O-C 3.56Å; L754-V757 PolarHBondContact O-N 3.3Å; F755-V757 VanDerWaalsContact C-N 3.29Å; V757-F761 HydrophobicContact CG1-CD2 4.4Å; V757-F761 HydrophobicContact CG2-CE2 4.37Å; V757-F761 WeakPolarHBondContact O-CB 3.48Å; V757-F761 WeakPolarHBondContact O-CD2 3.48Å; V757-M768 HydrophobicContact CG1-CE 4.3Å
758	L	26.5	Very low	26	Very low	79 Å²	79	59.9 Å²	59.9	41%	0.414	38%	0.377	S	S	.	.	H	α-helix	trans	-80.2	-27.2	173.9	-79.1	160.1	0	0	0	113	L754 F755 E756 F764	L754-L758 WeakPolarHBondContact O-CB 3.26Å; L754-L758 WeakPolarHBondContact O-CD1 3.48Å; L754-L758 WeakPolarHBondContact O-CG 3.45Å; L754-L758 PolarHBondContact O-N 2.89Å; F755-L758 HydrophobicContact CD2-CB 4.47Å; F755-L758 HydrophobicContact CD2-CD1 3.88Å; F755-L758 HydrophobicContact CE2-CD1 4.35Å; F755-L758 CarbonylContact O-C 3.38Å; F755-L758 PolarHBondContact O-N 3.28Å; F755-L758 VanDerWaalsContact O-N 3.16Å; E756-L758 VanDerWaalsContact C-N 3.34Å; E756-L758 PolarHBondContact O-N 2.88Å; L758-F764 HydrophobicContact CD2-CE1 4.15Å; L758-F764 HydrophobicContact CD2-CE2 4.08Å; L758-F764 HydrophobicContact CD2-CZ 3.53Å
759	A	24.6	Very low	26	Very low	79 Å²	79	60.2 Å²	60.2	65%	0.653	37%	0.374	S	S	*	.	H	α-helix	trans	-98.8	-33	-175.1	0	0	0	0	0	113.7	F755 E756	F755-A759 VanDerWaalsContact O-CB 3.28Å; F755-A759 WeakPolarHBondContact O-CB 3.32Å; F755-A759 PolarHBondContact O-N 3.22Å; E756-A759 PolarHBondContact O-N 3.35Å
760	A	23.7	Very low	25.9	Very low	82 Å²	82	59.6 Å²	59.6	68%	0.678	36%	0.363	S	S	*	.	H	α-helix	trans	-86.8	-16.7	178.8	0	0	0	0	0	113.7	E756	E756-A760 WeakPolarHBondContact O-CB 3.4Å; E756-A760 PolarHBondContact O-N 2.95Å
761	F	25.1	Very low	25.7	Very low	90 Å²	90	55.8 Å²	55.8	40%	0.395	35%	0.345	S	S	.	.			trans	-118.9	109.5	178.7	-61.6	-96.8	0	0	0	111.6	V757 G763	V757-F761 HydrophobicContact CG1-CD2 4.4Å; V757-F761 HydrophobicContact CG2-CE2 4.37Å; V757-F761 WeakPolarHBondContact O-CB 3.48Å; V757-F761 WeakPolarHBondContact O-CD2 3.48Å; F761-G763 PolarHBondContact O-N 2.99Å
762	S	21.2	Very low	25.6	Very low	82 Å²	82	59.7 Å²	59.7	57%	0.573	35%	0.354	S	S	*	.	S	Bend	trans	-69.9	45.3	164.6	-57.3	0	0	0	0	112.4	Y180	Y180-S762 VanDerWaalsContact CE2-O 3.32Å; Y180-S762 WeakPolarHBondContact CE2-O 3.42Å; Y180-S762 PolarHBondContact OH-O 3.29Å; Y180-S762 VanDerWaalsContact OH-O 3.07Å
763	G	24.3	Very low	25.8	Very low	26 Å²	26	60.6 Å²	60.6	27%	0.268	35%	0.347	S	S	.	.	S	Bend	trans	-177.6	110.2	-175.4	0	0	0	0	0	113.3	R102 F761	R102-G763 PolarHBondContact NH2-O 3.34Å; F761-G763 PolarHBondContact O-N 2.99Å
764	F	24.4	Very low	25.8	Very low	105 Å²	105	62.1 Å²	62.1	46%	0.461	36%	0.355	S	S	.	.			trans	-61	144.9	173	-87.7	-96	0	0	0	111.6	R102 L758 A766 V769	R102-F764 VanDerWaalsContact NH2-C 3.28Å; R102-F764 PolarHBondContact NH2-O 3.02Å; L758-F764 HydrophobicContact CD2-CE1 4.15Å; L758-F764 HydrophobicContact CD2-CE2 4.08Å; L758-F764 HydrophobicContact CD2-CZ 3.53Å; F764-A766 PolarHBondContact O-N 3.31Å; F764-V769 HydrophobicContact CB-CG2 4.05Å; F764-V769 HydrophobicContact CD1-CG2 3.37Å; F764-V769 HydrophobicContact CE1-CG2 4.12Å; F764-V769 HydrophobicContact CG-CG2 4.02Å
765	N	25.1	Very low	25.7	Very low	14 Å²	14	64.5 Å²	64.5	8%	0.075	36%	0.364	C	S	.	.			trans	-71.8	116.7	160.2	-172.2	5.7	0	0	0	108.5	R102 S767 M768 V769	R102-N765 HydrophobicContact CB-CB 3.9Å; R102-N765 VanDerWaalsContact CB-ND2 3.32Å; R102-N765 WeakPolarHBondContact CB-ND2 3.4Å; R102-N765 HydrophobicContact CG-CB 3.97Å; R102-N765 VanDerWaalsContact CZ-CA 3.45Å; N765-S767 WeakPolarHBondContact ND2-CB 3.43Å; N765-S767 PolarHBondContact ND2-OG 3.31Å; N765-S767 PolarHBondContact O-N 2.74Å; N765-S767 VanDerWaalsContact O-N 3.16Å; N765-S767 VanDerWaalsContact OD1-CB 3.28Å; N765-S767 WeakPolarHBondContact OD1-CB 3.36Å; N765-S767 PolarHBondContact OD1-N 2.8Å; N765-S767 PolarHBondContact OD1-OG 2.8Å; N765-M768 HydrophobicContact CB-CB 3.86Å; N765-M768 HydrophobicContact CB-CG 3.57Å; N765-M768 HydrophobicContact CB-SD 3.62Å; N765-M768 PolarHBondContact ND2-N 2.86Å; N765-M768 WeakPolarHBondContact O-CB 3.29Å; N765-M768 PolarHBondContact O-N 2.67Å; N765-V769 PolarHBondContact O-N 3.02Å; N765-V769 VanDerWaalsContact O-N 3.08Å
766	A	24.5	Very low	25.8	Very low	28 Å²	28	62.8 Å²	62.8	23%	0.231	36%	0.357	C	S	.	.	H	α-helix	trans	-52.2	-36.6	169	0	0	0	0	0	110.9	F764 M768 V769 M770	F764-A766 PolarHBondContact O-N 3.31Å; A766-M768 PolarHBondContact O-N 2.75Å; A766-V769 PolarHBondContact O-N 3.45Å; A766-M770 WeakPolarHBondContact O-CA 3.13Å; A766-M770 WeakPolarHBondContact O-CB 3.28Å; A766-M770 WeakPolarHBondContact O-CG 3.17Å; A766-M770 PolarHBondContact O-N 3.45Å
767	S	25.2	Very low	25.8	Very low	29 Å²	29	58.2 Å²	58.2	20%	0.203	34%	0.339	C	S	.	.	H	α-helix	trans	-71	-24.1	177	-17.5	0	0	0	0	114.7	Q190 N765 G771	Q190-S767 PolarHBondContact NE2-OG 3.32Å; N765-S767 WeakPolarHBondContact ND2-CB 3.43Å; N765-S767 PolarHBondContact ND2-OG 3.31Å; N765-S767 PolarHBondContact O-N 2.74Å; N765-S767 VanDerWaalsContact O-N 3.16Å; N765-S767 VanDerWaalsContact OD1-CB 3.28Å; N765-S767 WeakPolarHBondContact OD1-CB 3.36Å; N765-S767 PolarHBondContact OD1-N 2.8Å; N765-S767 PolarHBondContact OD1-OG 2.8Å; S767-G771 WeakPolarHBondContact O-CA 3.41Å; S767-G771 PolarHBondContact O-N 3.18Å
768	M	26.4	Very low	25.7	Very low	18 Å²	18	60.9 Å²	60.9	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-75.1	-49.7	170.4	-74.6	167.3	59.3	0	0	110.5	R102 L103 V757 N765 A766 M770 G771 F772	R102-M768 VanDerWaalsContact C-CG 3.47Å; R102-M768 HydrophobicContact CB-CG 4.21Å; R102-M768 HydrophobicContact CB-SD 3.74Å; R102-M768 HydrophobicContact CG-SD 4.15Å; R102-M768 WeakPolarHBondContact O-CG 3.2Å; L103-M768 HydrophobicContact CB-CE 3.83Å; L103-M768 HydrophobicContact CB-SD 4.28Å; V757-M768 HydrophobicContact CG1-CE 4.3Å; N765-M768 HydrophobicContact CB-CB 3.86Å; N765-M768 HydrophobicContact CB-CG 3.57Å; N765-M768 HydrophobicContact CB-SD 3.62Å; N765-M768 PolarHBondContact ND2-N 2.86Å; N765-M768 WeakPolarHBondContact O-CB 3.29Å; N765-M768 PolarHBondContact O-N 2.67Å; A766-M768 PolarHBondContact O-N 2.75Å; M768-M770 VanDerWaalsContact C-N 3.3Å; M768-M770 PolarHBondContact O-N 3.1Å; M768-G771 PolarHBondContact O-N 3.2Å; M768-G771 VanDerWaalsContact O-N 3.14Å; M768-F772 PolarHBondContact O-N 3.43Å
769	V	28.4	Very low	25.6	Very low	56 Å²	56	60 Å²	60	34%	0.339	36%	0.362	S	S	.	.	H	α-helix	trans	-61.5	-44	179.7	-178.7	0	0	0	0	109.3	F764 N765 A766 F772 Y773	F764-V769 HydrophobicContact CB-CG2 4.05Å; F764-V769 HydrophobicContact CD1-CG2 3.37Å; F764-V769 HydrophobicContact CE1-CG2 4.12Å; F764-V769 HydrophobicContact CG-CG2 4.02Å; N765-V769 PolarHBondContact O-N 3.02Å; N765-V769 VanDerWaalsContact O-N 3.08Å; A766-V769 PolarHBondContact O-N 3.45Å; V769-F772 PolarHBondContact O-N 2.67Å; V769-Y773 HydrophobicContact CG1-CD2 4.47Å; V769-Y773 VanDerWaalsContact O-CB 3.25Å; V769-Y773 WeakPolarHBondContact O-CB 3.25Å; V769-Y773 PolarHBondContact O-N 2.93Å
770	M	26.5	Very low	25.7	Very low	72 Å²	72	63.9 Å²	63.9	36%	0.355	37%	0.371	S	S	.	.	H	α-helix	trans	-69.3	-30.6	173.4	-73.2	-64.6	-65.5	0	0	113.6	D135 A766 M768 Y773 S774	D135-M770 VanDerWaalsContact O-CE 3.29Å; D135-M770 WeakPolarHBondContact O-CE 3.27Å; A766-M770 WeakPolarHBondContact O-CA 3.13Å; A766-M770 WeakPolarHBondContact O-CB 3.28Å; A766-M770 WeakPolarHBondContact O-CG 3.17Å; A766-M770 PolarHBondContact O-N 3.45Å; M768-M770 VanDerWaalsContact C-N 3.3Å; M768-M770 PolarHBondContact O-N 3.1Å; M770-Y773 CarbonylContact O-C 3.57Å; M770-S774 WeakPolarHBondContact O-CB 3.45Å; M770-S774 PolarHBondContact O-N 3.05Å; M770-S774 PolarHBondContact O-OG 2.82Å
771	G	25.9	Very low	25.9	Very low	9 Å²	9	61.9 Å²	61.9	9%	0.093	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-52.7	170.6	0	0	0	0	0	110.4	S767 M768 Y773 S774 E775	S767-G771 WeakPolarHBondContact O-CA 3.41Å; S767-G771 PolarHBondContact O-N 3.18Å; M768-G771 PolarHBondContact O-N 3.2Å; M768-G771 VanDerWaalsContact O-N 3.14Å; G771-Y773 VanDerWaalsContact C-N 3.31Å; G771-Y773 PolarHBondContact O-N 3.3Å; G771-S774 PolarHBondContact O-N 3.09Å; G771-S774 PolarHBondContact O-OG 2.59Å; G771-E775 PolarHBondContact O-N 2.85Å; G771-E775 VanDerWaalsContact O-N 3.09Å
772	F	29.4	Very low	26	Very low	127 Å²	127	60.3 Å²	60.3	56%	0.557	35%	0.348	S	S	*	.	H	α-helix	trans	-63.8	-42.4	178	-118.4	-88.7	0	0	0	109.2	M104 M768 V769 S774 E775 I776	M104-F772 HydrophobicContact CG-CD2 4.08Å; M104-F772 VanDerWaalsContact SD-CA 3.56Å; M104-F772 HydrophobicContact SD-CB 4.04Å; M104-F772 HydrophobicContact SD-CD2 3.48Å; M104-F772 WeakPolarHBondContact SD-CD2 3.36Å; M104-F772 HydrophobicContact SD-CE2 4.28Å; M104-F772 HydrophobicContact SD-CG 4.03Å; M104-F772 PolarHBondContact SD-N 2.95Å; M768-F772 PolarHBondContact O-N 3.43Å; V769-F772 PolarHBondContact O-N 2.67Å; F772-S774 VanDerWaalsContact C-N 3.27Å; F772-S774 PolarHBondContact O-N 2.72Å; F772-E775 PolarHBondContact O-N 2.72Å; F772-I776 HydrophobicContact CD1-CD1 4.16Å; F772-I776 VanDerWaalsContact O-CD1 3.27Å; F772-I776 WeakPolarHBondContact O-CD1 3.16Å; F772-I776 WeakPolarHBondContact O-CG1 3.13Å; F772-I776 PolarHBondContact O-N 3.31Å; F772-I776 VanDerWaalsContact O-N 3.1Å
773	Y	28.9	Very low	26.3	Very low	52 Å²	52	63 Å²	63	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-59.4	-35.3	172.4	-113.3	-102.2	0	0	0	112.6	Q136 V769 M770 G771 I776 V777 R803	Q136-Y773 VanDerWaalsContact CD-CZ 3.47Å; Q136-Y773 HydrophobicContact CG-CD1 4.15Å; Q136-Y773 HydrophobicContact CG-CE1 3.61Å; Q136-Y773 PolarHBondContact NE2-OH 3.41Å; Q136-Y773 VanDerWaalsContact NE2-OH 3.1Å; Q136-Y773 VanDerWaalsContact OE1-CZ 3.28Å; Q136-Y773 PolarHBondContact OE1-OH 3.02Å; V769-Y773 HydrophobicContact CG1-CD2 4.47Å; V769-Y773 VanDerWaalsContact O-CB 3.25Å; V769-Y773 WeakPolarHBondContact O-CB 3.25Å; V769-Y773 PolarHBondContact O-N 2.93Å; M770-Y773 CarbonylContact O-C 3.57Å; G771-Y773 VanDerWaalsContact C-N 3.31Å; G771-Y773 PolarHBondContact O-N 3.3Å; Y773-I776 CarbonylContact O-C 3.57Å; Y773-I776 PolarHBondContact O-N 3.01Å; Y773-V777 HydrophobicContact CD1-CG2 3.98Å; Y773-V777 WeakPolarHBondContact O-CA 3.27Å; Y773-V777 WeakPolarHBondContact O-CB 3.45Å; Y773-V777 WeakPolarHBondContact O-CG2 3.35Å; Y773-V777 PolarHBondContact O-N 2.75Å; Y773-R803 PolarHBondContact O-NH2 3.33Å
774	S	25.7	Very low	26.4	Very low	56 Å²	56	63.8 Å²	63.8	39%	0.392	36%	0.363	S	S	.	.	H	α-helix	trans	-73.4	-39.6	-178.5	72.8	0	0	0	0	113	M770 G771 F772 I776 V777 N778	M770-S774 WeakPolarHBondContact O-CB 3.45Å; M770-S774 PolarHBondContact O-N 3.05Å; M770-S774 PolarHBondContact O-OG 2.82Å; G771-S774 PolarHBondContact O-N 3.09Å; G771-S774 PolarHBondContact O-OG 2.59Å; F772-S774 VanDerWaalsContact C-N 3.27Å; F772-S774 PolarHBondContact O-N 2.72Å; S774-I776 VanDerWaalsContact C-N 3.28Å; S774-I776 PolarHBondContact O-N 3.36Å; S774-V777 PolarHBondContact O-N 3.42Å; S774-N778 PolarHBondContact O-N 2.95Å; S774-N778 VanDerWaalsContact O-N 3.14Å; S774-N778 PolarHBondContact O-ND2 3.1Å
775	E	26.6	Very low	26.6	Very low	106 Å²	106	60.4 Å²	60.4	50%	0.495	35%	0.35	S	S	.	.	H	α-helix	trans	-57.6	-41.8	167.6	-87	-69.8	120.2	0	0	111.3	M104 G771 F772 T781	M104-E775 HydrophobicContact CE-CG 4.3Å; G771-E775 PolarHBondContact O-N 2.85Å; G771-E775 VanDerWaalsContact O-N 3.09Å; F772-E775 PolarHBondContact O-N 2.72Å; E775-T781 PolarHBondContact O-OG1 3.44Å
776	I	27.8	Very low	27	Very low	25 Å²	25	62.2 Å²	62.2	13%	0.128	36%	0.359	C	S	.	.	H	α-helix	trans	-81.9	-21.1	178.5	-46.9	156.5	0	0	0	112.2	F772 Y773 S774 L785 R803	F772-I776 HydrophobicContact CD1-CD1 4.16Å; F772-I776 VanDerWaalsContact O-CD1 3.27Å; F772-I776 WeakPolarHBondContact O-CD1 3.16Å; F772-I776 WeakPolarHBondContact O-CG1 3.13Å; F772-I776 PolarHBondContact O-N 3.31Å; F772-I776 VanDerWaalsContact O-N 3.1Å; Y773-I776 CarbonylContact O-C 3.57Å; Y773-I776 PolarHBondContact O-N 3.01Å; S774-I776 VanDerWaalsContact C-N 3.28Å; S774-I776 PolarHBondContact O-N 3.36Å; I776-L785 HydrophobicContact CB-CD1 4.1Å; I776-L785 HydrophobicContact CG1-CD1 3.91Å; I776-L785 HydrophobicContact CG1-CD2 4.5Å; I776-L785 HydrophobicContact CG2-CB 4.28Å; I776-L785 HydrophobicContact CG2-CD1 4.17Å; I776-R803 PolarHBondContact O-NH1 2.99Å
777	V	25.2	Very low	27.3	Very low	52 Å²	52	64.5 Å²	64.5	32%	0.315	37%	0.37	S	S	.	.	H	α-helix	trans	-83.6	-22.5	-179.6	154.3	0	0	0	0	112.2	Y773 S774 G779	Y773-V777 HydrophobicContact CD1-CG2 3.98Å; Y773-V777 WeakPolarHBondContact O-CA 3.27Å; Y773-V777 WeakPolarHBondContact O-CB 3.45Å; Y773-V777 WeakPolarHBondContact O-CG2 3.35Å; Y773-V777 PolarHBondContact O-N 2.75Å; S774-V777 PolarHBondContact O-N 3.42Å; V777-G779 PolarHBondContact O-N 2.99Å
778	N	24.5	Very low	27.5	Very low	91 Å²	91	67.7 Å²	67.7	49%	0.487	38%	0.384	S	S	.	.	S	Bend	trans	-57	112.1	175.7	-82.2	-33.9	0	0	0	110.7	S774 I780 T781	S774-N778 PolarHBondContact O-N 2.95Å; S774-N778 VanDerWaalsContact O-N 3.14Å; S774-N778 PolarHBondContact O-ND2 3.1Å; N778-I780 PolarHBondContact O-N 3.17Å; N778-T781 PolarHBondContact O-N 3.46Å; N778-T781 PolarHBondContact O-OG1 2.7Å
779	G	24.7	Very low	27.8	Very low	60 Å²	60	71.4 Å²	71.4	62%	0.619	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	7.9	-169.5	0	0	0	0	0	117.2	V777 T782	V777-G779 PolarHBondContact O-N 2.99Å; G779-T782 PolarHBondContact O-OG1 3.22Å
780	I	25.6	Very low	28	Very low	161 Å²	161	71.6 Å²	71.6	83%	0.826	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-32.3	178.6	-60.1	173.3	0	0	0	110.3	N778 T782	N778-I780 PolarHBondContact O-N 3.17Å; I780-T782 PolarHBondContact O-N 3.04Å
781	T	28.3	Very low	28	Very low	40 Å²	40	68.7 Å²	68.7	25%	0.245	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.2	169.9	44.6	0	0	0	0	112.7	E775 N778 L783 G784 L785	E775-T781 PolarHBondContact O-OG1 3.44Å; N778-T781 PolarHBondContact O-N 3.46Å; N778-T781 PolarHBondContact O-OG1 2.7Å; T781-L783 PolarHBondContact O-N 2.93Å; T781-G784 CarbonylContact O-C 3.59Å; T781-G784 PolarHBondContact O-N 2.96Å; T781-L785 WeakPolarHBondContact O-CB 3.49Å; T781-L785 PolarHBondContact O-N 3.49Å
782	T	26.5	Very low	28.2	Very low	57 Å²	57	71 Å²	71	35%	0.35	39%	0.394	S	S	.	.	H	α-helix	trans	-48.3	-54.5	171.2	41.7	0	0	0	0	112.3	G779 I780 G784 L785 D786	G779-T782 PolarHBondContact O-OG1 3.22Å; I780-T782 PolarHBondContact O-N 3.04Å; T782-G784 VanDerWaalsContact C-N 3.33Å; T782-G784 PolarHBondContact O-N 3.32Å; T782-L785 PolarHBondContact O-N 2.98Å; T782-D786 WeakPolarHBondContact O-CB 3.46Å; T782-D786 PolarHBondContact O-N 3.37Å
783	L	28	Very low	28.2	Very low	140 Å²	140	66.9 Å²	66.9	73%	0.733	38%	0.377	S	S	*	.	H	α-helix	trans	-61.2	-39.4	175.8	-89.5	163.8	0	0	0	112.6	T781 V787	T781-L783 PolarHBondContact O-N 2.93Å; L783-V787 WeakPolarHBondContact O-CB 3.2Å; L783-V787 WeakPolarHBondContact O-CG2 3.49Å; L783-V787 PolarHBondContact O-N 3.19Å
784	G	27.1	Very low	28.1	Very low	41 Å²	41	65.6 Å²	65.6	42%	0.423	38%	0.379	S	S	.	.	H	α-helix	trans	-70.2	-39.7	-179.9	0	0	0	0	0	113.7	T781 T782 L788	T781-G784 CarbonylContact O-C 3.59Å; T781-G784 PolarHBondContact O-N 2.96Å; T782-G784 VanDerWaalsContact C-N 3.33Å; T782-G784 PolarHBondContact O-N 3.32Å; G784-L788 WeakPolarHBondContact O-CG 3.3Å; G784-L788 PolarHBondContact O-N 3.07Å
785	L	29	Very low	28.3	Very low	35 Å²	35	67 Å²	67	18%	0.183	38%	0.379	C	S	.	.	H	α-helix	trans	-89	-34.1	-176	-82.5	159.4	0	0	0	113	I776 T781 T782 V787 L788 W789	I776-L785 HydrophobicContact CB-CD1 4.1Å; I776-L785 HydrophobicContact CG1-CD1 3.91Å; I776-L785 HydrophobicContact CG1-CD2 4.5Å; I776-L785 HydrophobicContact CG2-CB 4.28Å; I776-L785 HydrophobicContact CG2-CD1 4.17Å; T781-L785 WeakPolarHBondContact O-CB 3.49Å; T781-L785 PolarHBondContact O-N 3.49Å; T782-L785 PolarHBondContact O-N 2.98Å; L785-V787 VanDerWaalsContact C-N 3.3Å; L785-L788 HydrophobicContact CD2-CB 4.42Å; L785-L788 HydrophobicContact CD2-CD1 3.71Å; L785-L788 HydrophobicContact CG-CD1 4.29Å; L785-L788 PolarHBondContact O-N 3.41Å; L785-W789 WeakPolarHBondContact O-CB 3.39Å; L785-W789 VanDerWaalsContact O-CD1 3.22Å; L785-W789 PolarHBondContact O-N 2.72Å
786	D	32.6	Very low	28.3	Very low	51 Å²	51	65 Å²	65	27%	0.273	37%	0.371	S	S	.	.	H	α-helix	trans	-65.8	-34.8	164.6	-75.4	-51.9	0	0	0	109.9	T782 L788 W789 I790 R803	T782-D786 WeakPolarHBondContact O-CB 3.46Å; T782-D786 PolarHBondContact O-N 3.37Å; D786-L788 PolarHBondContact O-N 3.33Å; D786-W789 PolarHBondContact O-N 2.65Å; D786-I790 HydrophobicContact CB-CD1 4.18Å; D786-I790 WeakPolarHBondContact O-CB 3.17Å; D786-I790 WeakPolarHBondContact O-CD1 3.41Å; D786-I790 WeakPolarHBondContact O-CG1 3.34Å; D786-I790 PolarHBondContact O-N 2.68Å; D786-R803 PolarHBondContact OD1-N 2.97Å
787	V	30.9	Very low	28.4	Very low	76 Å²	76	69.3 Å²	69.3	46%	0.461	40%	0.404	S	S	.	.	H	α-helix	trans	-63.1	-40.1	169.1	164.6	0	0	0	0	112.2	L783 L785 T791	L783-V787 WeakPolarHBondContact O-CB 3.2Å; L783-V787 WeakPolarHBondContact O-CG2 3.49Å; L783-V787 PolarHBondContact O-N 3.19Å; L785-V787 VanDerWaalsContact C-N 3.3Å; V787-T791 WeakPolarHBondContact O-CB 3.35Å; V787-T791 VanDerWaalsContact O-CG2 3.25Å; V787-T791 WeakPolarHBondContact O-CG2 3.28Å; V787-T791 PolarHBondContact O-N 3.27Å; V787-T791 VanDerWaalsContact O-N 3.1Å; V787-T791 PolarHBondContact O-OG1 3.29Å
788	L	29.1	Very low	28.5	Very low	96 Å²	96	67.7 Å²	67.7	50%	0.503	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-45.4	172.6	-79.1	159.9	0	0	0	111.7	G784 L785 D786 T791 T792	G784-L788 WeakPolarHBondContact O-CG 3.3Å; G784-L788 PolarHBondContact O-N 3.07Å; L785-L788 HydrophobicContact CD2-CB 4.42Å; L785-L788 HydrophobicContact CD2-CD1 3.71Å; L785-L788 HydrophobicContact CG-CD1 4.29Å; L785-L788 PolarHBondContact O-N 3.41Å; D786-L788 PolarHBondContact O-N 3.33Å; L788-T791 PolarHBondContact O-N 3.15Å; L788-T791 PolarHBondContact O-OG1 3Å; L788-T792 WeakPolarHBondContact O-CB 3.41Å; L788-T792 PolarHBondContact O-N 3.1Å; L788-T792 PolarHBondContact O-OG1 3.39Å
789	W	32.2	Very low	28.8	Very low	96 Å²	96	65.8 Å²	65.8	36%	0.364	38%	0.383	S	S	.	.	H	α-helix	trans	-74.7	-42.1	-176.8	-82.2	69.6	0	0	0	112.9	L785 D786 T791 T792 F793	L785-W789 WeakPolarHBondContact O-CB 3.39Å; L785-W789 VanDerWaalsContact O-CD1 3.22Å; L785-W789 PolarHBondContact O-N 2.72Å; D786-W789 PolarHBondContact O-N 2.65Å; W789-T791 PolarHBondContact O-N 3.03Å; W789-T792 CarbonylContact O-C 3.42Å; W789-T792 PolarHBondContact O-N 3.44Å; W789-F793 HydrophobicContact CD2-CD2 4.03Å; W789-F793 AromaticContact CD2-CE2 3.9Å; W789-F793 HydrophobicContact CD2-CE2 3.9Å; W789-F793 AromaticContact CE3-CD2 3.43Å; W789-F793 HydrophobicContact CE3-CD2 3.43Å; W789-F793 VanDerWaalsContact CE3-CD2 3.43Å; W789-F793 AromaticContact CE3-CE2 3.37Å; W789-F793 HydrophobicContact CE3-CE2 3.37Å; W789-F793 HydrophobicContact CE3-CG 4.48Å; W789-F793 HydrophobicContact CE3-CZ 4.37Å; W789-F793 AromaticContact CH2-CE2 3.96Å; W789-F793 HydrophobicContact CH2-CE2 3.96Å; W789-F793 HydrophobicContact CH2-CZ 4.4Å; W789-F793 HydrophobicContact CZ2-CE2 4.44Å; W789-F793 AromaticContact CZ3-CD2 3.87Å; W789-F793 HydrophobicContact CZ3-CD2 3.87Å; W789-F793 AromaticContact CZ3-CE2 3.4Å; W789-F793 HydrophobicContact CZ3-CE2 3.4Å; W789-F793 VanDerWaalsContact CZ3-CE2 3.4Å; W789-F793 AromaticContact CZ3-CZ 4Å; W789-F793 HydrophobicContact CZ3-CZ 4Å; W789-F793 WeakPolarHBondContact O-CB 3.35Å; W789-F793 PolarHBondContact O-N 3.03Å
790	I	34.1	Very low	29.1	Very low	61 Å²	61	65.7 Å²	65.7	31%	0.313	37%	0.367	S	S	.	.	H	α-helix	trans	-59	-36.6	171.9	-68.2	164.5	0	0	0	110.3	D786 G794 V801	D786-I790 HydrophobicContact CB-CD1 4.18Å; D786-I790 WeakPolarHBondContact O-CB 3.17Å; D786-I790 WeakPolarHBondContact O-CD1 3.41Å; D786-I790 WeakPolarHBondContact O-CG1 3.34Å; D786-I790 PolarHBondContact O-N 2.68Å; I790-G794 WeakPolarHBondContact O-CA 3.09Å; I790-G794 PolarHBondContact O-N 3.45Å; I790-V801 WeakPolarHBondContact CG1-O 3.04Å
791	T	26.8	Very low	29.4	Very low	10 Å²	10	58.5 Å²	58.5	6%	0.061	33%	0.331	C	S	.	.	H	α-helix	trans	-82.6	-25.5	176.7	58.9	0	0	0	0	114.1	V787 L788 W789	V787-T791 WeakPolarHBondContact O-CB 3.35Å; V787-T791 VanDerWaalsContact O-CG2 3.25Å; V787-T791 WeakPolarHBondContact O-CG2 3.28Å; V787-T791 PolarHBondContact O-N 3.27Å; V787-T791 VanDerWaalsContact O-N 3.1Å; V787-T791 PolarHBondContact O-OG1 3.29Å; L788-T791 PolarHBondContact O-N 3.15Å; L788-T791 PolarHBondContact O-OG1 3Å; W789-T791 PolarHBondContact O-N 3.03Å
792	T	29.5	Very low	29.7	Very low	57 Å²	57	58.3 Å²	58.3	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-88.9	-16.5	178.5	-54.5	0	0	0	0	113.5	L788 W789 H795	L788-T792 WeakPolarHBondContact O-CB 3.41Å; L788-T792 PolarHBondContact O-N 3.1Å; L788-T792 PolarHBondContact O-OG1 3.39Å; W789-T792 CarbonylContact O-C 3.42Å; W789-T792 PolarHBondContact O-N 3.44Å; T792-H795 PolarHBondContact O-CE1 3.14Å
793	F	28.1	Very low	29.7	Very low	42 Å²	42	58.3 Å²	58.3	18%	0.184	32%	0.321	C	S	.	.	H	α-helix	trans	-136.2	-19.6	-179.1	-65	-80.2	0	0	0	115.1	W789 H795 I796 V801	W789-F793 HydrophobicContact CD2-CD2 4.03Å; W789-F793 AromaticContact CD2-CE2 3.9Å; W789-F793 HydrophobicContact CD2-CE2 3.9Å; W789-F793 AromaticContact CE3-CD2 3.43Å; W789-F793 HydrophobicContact CE3-CD2 3.43Å; W789-F793 VanDerWaalsContact CE3-CD2 3.43Å; W789-F793 AromaticContact CE3-CE2 3.37Å; W789-F793 HydrophobicContact CE3-CE2 3.37Å; W789-F793 HydrophobicContact CE3-CG 4.48Å; W789-F793 HydrophobicContact CE3-CZ 4.37Å; W789-F793 AromaticContact CH2-CE2 3.96Å; W789-F793 HydrophobicContact CH2-CE2 3.96Å; W789-F793 HydrophobicContact CH2-CZ 4.4Å; W789-F793 HydrophobicContact CZ2-CE2 4.44Å; W789-F793 AromaticContact CZ3-CD2 3.87Å; W789-F793 HydrophobicContact CZ3-CD2 3.87Å; W789-F793 AromaticContact CZ3-CE2 3.4Å; W789-F793 HydrophobicContact CZ3-CE2 3.4Å; W789-F793 VanDerWaalsContact CZ3-CE2 3.4Å; W789-F793 AromaticContact CZ3-CZ 4Å; W789-F793 HydrophobicContact CZ3-CZ 4Å; W789-F793 WeakPolarHBondContact O-CB 3.35Å; W789-F793 PolarHBondContact O-N 3.03Å; F793-H795 PolarHBondContact O-N 3.23Å; F793-I796 PolarHBondContact O-N 3.19Å; F793-V801 HydrophobicContact CB-CB 4.11Å; F793-V801 HydrophobicContact CB-CG1 3.84Å; F793-V801 HydrophobicContact CB-CG2 4.28Å
794	G	26.9	Very low	29.6	Very low	24 Å²	24	56.2 Å²	56.2	25%	0.247	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	29.4	178.4	0	0	0	0	0	115	I790	I790-G794 WeakPolarHBondContact O-CA 3.09Å; I790-G794 PolarHBondContact O-N 3.45Å
795	H	31.2	Very low	29.6	Very low	87 Å²	87	56.4 Å²	56.4	40%	0.403	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	8.3	175.7	56.6	-115.8	0	0	0	112.6	H666 T792 F793	H666-H795 AromaticContact CE1-CD2 3.94Å; H666-H795 AromaticContact CE1-CE1 3.29Å; H666-H795 PolarHBondContact CE1-CE1 3.36Å; H666-H795 AromaticContact CE1-CG 3.88Å; H666-H795 AromaticContact CE1-ND1 3.49Å; H666-H795 PolarHBondContact CE1-ND1 3.34Å; H666-H795 AromaticContact CE1-NE2 3.58Å; H666-H795 AromaticContact NE2-CE1 3.25Å; H666-H795 PolarHBondContact NE2-CE1 3.27Å; H666-H795 VanDerWaalsContact NE2-CE1 3.25Å; H666-H795 AromaticContact NE2-ND1 3.67Å; H666-H795 AromaticContact NE2-NE2 3.87Å; T792-H795 PolarHBondContact O-CE1 3.14Å; F793-H795 PolarHBondContact O-N 3.23Å
796	I	26.8	Very low	29.8	Very low	62 Å²	62	57.8 Å²	57.8	32%	0.318	31%	0.305	S	S	.	.	S	Bend	trans	-84.7	114.4	170.9	-58.5	173.8	0	0	0	108.1	F793 G798 W799 W806	F793-I796 PolarHBondContact O-N 3.19Å; I796-G798 PolarHBondContact O-N 3Å; I796-W799 PolarHBondContact O-N 2.91Å; I796-W799 VanDerWaalsContact O-N 3.14Å; I796-W806 HydrophobicContact CD1-CH2 3.48Å; I796-W806 VanDerWaalsContact CD1-CH2 3.48Å; I796-W806 HydrophobicContact CD1-CZ3 3.65Å; I796-W806 HydrophobicContact CG2-CZ3 4.31Å
797	S	28.2	Very low	29.7	Very low	117 Å²	117	60.9 Å²	60.9	82%	0.818	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	111.5	-168.9	-59.9	0	0	0	0	113.8
798	G	28.6	Very low	29.7	Very low	18 Å²	18	60.7 Å²	60.7	19%	0.186	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	5.4	172.9	0	0	0	0	0	116.8	I796 L809	I796-G798 PolarHBondContact O-N 3Å; G798-L809 PolarHBondContact O-N 2.93Å; G798-L809 VanDerWaalsContact O-N 3.14Å
799	W	30.6	Very low	29.7	Very low	50 Å²	50	59.6 Å²	59.6	19%	0.189	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124	-177.7	-64	86.8	0	0	0	113.2	I796 V801 W806 R807 L808 H927	I796-W799 PolarHBondContact O-N 2.91Å; I796-W799 VanDerWaalsContact O-N 3.14Å; W799-V801 PolarHBondContact O-N 3.36Å; W799-W806 HydrophobicContact CB-CE3 4.17Å; W799-W806 HydrophobicContact CD2-CE3 4.1Å; W799-W806 HydrophobicContact CE3-CB 3.77Å; W799-W806 HydrophobicContact CE3-CE3 4.17Å; W799-W806 HydrophobicContact CG-CE3 4.12Å; W799-W806 HydrophobicContact CZ3-CB 3.93Å; W799-R807 CarbonylContact C-O 3.58Å; W799-R807 WeakPolarHBondContact CA-O 2.99Å; W799-L808 HydrophobicContact CZ2-CD1 4.41Å; W799-H927 AromaticContact CH2-CE1 3.62Å
800	E	31.5	Very low	29.4	Very low	58 Å²	58	62.4 Å²	62.4	27%	0.271	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	115.8	159.9	-178.3	-149.8	139.3	0	0	107.8	N802 R807	E800-N802 PolarHBondContact OE1-ND2 2.88Å; E800-R807 HydrophobicContact CB-CB 3.81Å; E800-R807 HydrophobicContact CG-CB 4.41Å; E800-R807 PolarHBondContact N-O 3.46Å; E800-R807 PolarHBondContact O-N 3.2Å; E800-R807 WeakPolarHBondContact OE2-CD 3.36Å; E800-R807 IonicContact OE2-NH1 3.62Å; E800-R807 PolarHBondContact OE2-NH1 3Å
801	V	32.5	Very low	29	Very low	11 Å²	11	63.7 Å²	63.7	7%	0.067	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.9	171.9	-179.2	0	0	0	0	108.9	I790 F793 W799 W806	I790-V801 WeakPolarHBondContact CG1-O 3.04Å; F793-V801 HydrophobicContact CB-CB 4.11Å; F793-V801 HydrophobicContact CB-CG1 3.84Å; F793-V801 HydrophobicContact CB-CG2 4.28Å; W799-V801 PolarHBondContact O-N 3.36Å; V801-W806 HydrophobicContact CG2-CD2 4.44Å; V801-W806 HydrophobicContact CG2-CE3 4.16Å; V801-W806 HydrophobicContact CG2-CZ3 4.33Å
802	N	32.9	Very low	28.9	Very low	35 Å²	35	67.8 Å²	67.8	19%	0.187	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	166.9	162.6	63	66.3	0	0	0	109.2	E800 N804 N805	E800-N802 PolarHBondContact OE1-ND2 2.88Å; N802-N804 PolarHBondContact O-N 3.39Å; N802-N804 PolarHBondContact OD1-N 3.49Å; N802-N805 PolarHBondContact N-O 3.42Å; N802-N805 PolarHBondContact O-N 2.9Å; N802-N805 PolarHBondContact OD1-N 3.13Å; N802-N805 VanDerWaalsContact OD1-N 3.07Å; N802-N805 PolarHBondContact OD1-ND2 3.27Å
803	R	28	Very low	28.6	Very low	57 Å²	57	72.6 Å²	72.6	22%	0.215	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-29.1	-176.1	-175.7	-172.7	179.5	169.9	14.3	115.8	Y773 I776 D786	Y773-R803 PolarHBondContact O-NH2 3.33Å; I776-R803 PolarHBondContact O-NH1 2.99Å; D786-R803 PolarHBondContact OD1-N 2.97Å
804	N	25.6	Very low	28.3	Very low	97 Å²	97	78.5 Å²	78.5	52%	0.519	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-9.6	-170.4	-56.8	-61	0	0	0	114.7	N802	N802-N804 PolarHBondContact O-N 3.39Å; N802-N804 PolarHBondContact OD1-N 3.49Å
805	N	26.3	Very low	28.2	Very low	45 Å²	45	80.1 Å²	80.1	24%	0.241	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	147.6	-173.4	-59.6	-94.3	0	0	0	112.8	N802 T930	N802-N805 PolarHBondContact N-O 3.42Å; N802-N805 PolarHBondContact O-N 2.9Å; N802-N805 PolarHBondContact OD1-N 3.13Å; N802-N805 VanDerWaalsContact OD1-N 3.07Å; N802-N805 PolarHBondContact OD1-ND2 3.27Å; N805-T930 PolarHBondContact OD1-OG1 3.4Å
806	W	32.7	Very low	27.8	Very low	64 Å²	64	78.3 Å²	78.3	24%	0.242	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.8	157	-67.4	73.8	0	0	0	107.8	I796 W799 V801 A926	I796-W806 HydrophobicContact CD1-CH2 3.48Å; I796-W806 VanDerWaalsContact CD1-CH2 3.48Å; I796-W806 HydrophobicContact CD1-CZ3 3.65Å; I796-W806 HydrophobicContact CG2-CZ3 4.31Å; W799-W806 HydrophobicContact CB-CE3 4.17Å; W799-W806 HydrophobicContact CD2-CE3 4.1Å; W799-W806 HydrophobicContact CE3-CB 3.77Å; W799-W806 HydrophobicContact CE3-CE3 4.17Å; W799-W806 HydrophobicContact CG-CE3 4.12Å; W799-W806 HydrophobicContact CZ3-CB 3.93Å; V801-W806 HydrophobicContact CG2-CD2 4.44Å; V801-W806 HydrophobicContact CG2-CE3 4.16Å; V801-W806 HydrophobicContact CG2-CZ3 4.33Å; W806-A926 PolarHBondContact NE1-O 3.47Å; W806-A926 VanDerWaalsContact NE1-O 3.17Å
807	R	31	Very low	27.6	Very low	115 Å²	115	81.3 Å²	81.3	43%	0.434	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.9	175.7	-104.6	-179.3	177.1	-175.5	1	110.3	W799 E800	W799-R807 CarbonylContact C-O 3.58Å; W799-R807 WeakPolarHBondContact CA-O 2.99Å; E800-R807 HydrophobicContact CB-CB 3.81Å; E800-R807 HydrophobicContact CG-CB 4.41Å; E800-R807 PolarHBondContact N-O 3.46Å; E800-R807 PolarHBondContact O-N 3.2Å; E800-R807 WeakPolarHBondContact OE2-CD 3.36Å; E800-R807 IonicContact OE2-NH1 3.62Å; E800-R807 PolarHBondContact OE2-NH1 3Å
808	L	30.9	Very low	27.5	Very low	72 Å²	72	80.6 Å²	80.6	38%	0.377	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	130.6	166.3	-170.7	73.7	0	0	0	108.7	W799 E810	W799-L808 HydrophobicContact CZ2-CD1 4.41Å; L808-E810 PolarHBondContact O-N 3.19Å
809	L	30	Very low	27.2	Very low	74 Å²	74	83.8 Å²	83.8	39%	0.387	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-70.4	118.6	171.8	-85.1	158.4	0	0	0	110.2	G798 G811 L812	G798-L809 PolarHBondContact O-N 2.93Å; G798-L809 VanDerWaalsContact O-N 3.14Å; L809-G811 PolarHBondContact O-N 3.05Å; L809-L812 HydrophobicContact CB-CD1 3.62Å; L809-L812 HydrophobicContact CD1-CD1 4.18Å; L809-L812 PolarHBondContact O-N 2.66Å
810	E	26.1	Very low	26.8	Very low	154 Å²	154	92 Å²	92	72%	0.72	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	121.6	176.9	-69.1	173	-152.4	0	0	110	L808 R931	L808-E810 PolarHBondContact O-N 3.19Å; E810-R931 IonicContact OE1-CZ 3.27Å; E810-R931 IonicContact OE1-NH1 2.76Å; E810-R931 PolarHBondContact OE1-NH1 3.03Å; E810-R931 IonicContact OE1-NH2 2.93Å; E810-R931 PolarHBondContact OE1-NH2 3Å
811	G	25.2	Very low	26.4	Very low	88 Å²	88	93.4 Å²	93.4	91%	0.907	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	111	-8	-176.6	0	0	0	0	0	115.3	L809	L809-G811 PolarHBondContact O-N 3.05Å
812	L	24.3	Very low	26.2	Very low	97 Å²	97	95.6 Å²	95.6	51%	0.508	51%	0.51	S	S	.	.			trans	-94.6	138.3	167.6	-82.3	137.6	0	0	0	111.3	L809	L809-L812 HydrophobicContact CB-CD1 3.62Å; L809-L812 HydrophobicContact CD1-CD1 4.18Å; L809-L812 PolarHBondContact O-N 2.66Å
813	E	23.9	Very low	25.8	Very low	158 Å²	158	97.5 Å²	97.5	74%	0.738	54%	0.537	S	S	*	.			trans	-61.8	163.6	160.3	-66.5	-172.3	170.7	0	0	110.4
814	F	21.3	Very low	25.8	Very low	165 Å²	165	103.2 Å²	103.2	72%	0.724	57%	0.566	S	S	*	*			trans	-53.3	177.6	174.6	-117	-119	0	0	0	112.9	S816	F814-S816 PolarHBondContact O-N 3.36Å; F814-S816 PolarHBondContact O-OG 3.48Å
815	P	24.7	Very low	26	Very low	58 Å²	58	100.9 Å²	100.9	38%	0.377	56%	0.555	S	S	.	*	S	Bend	trans	-61.6	43.3	155.9	-24	36.5	0	0	0	114.5	V817 L818	P815-V817 PolarHBondContact O-N 3.08Å; P815-L818 PolarHBondContact O-N 2.79Å
816	S	22	Very low	26.1	Very low	50 Å²	50	101.9 Å²	101.9	35%	0.35	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-58.7	-13.6	175.1	53.6	0	0	0	0	113.1	F814 L818 L819 R820	F814-S816 PolarHBondContact O-N 3.36Å; F814-S816 PolarHBondContact O-OG 3.48Å; S816-L818 VanDerWaalsContact C-N 3.3Å; S816-L818 PolarHBondContact O-N 3.3Å; S816-L819 CarbonylContact O-C 3.41Å; S816-L819 PolarHBondContact O-N 3.29Å; S816-R820 PolarHBondContact O-N 3.03Å
817	V	24.1	Very low	25.9	Very low	125 Å²	125	108.2 Å²	108.2	76%	0.758	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-59.9	-35.6	167	-176.6	0	0	0	0	112.3	P815 L819	P815-V817 PolarHBondContact O-N 3.08Å; V817-L819 VanDerWaalsContact C-N 3.35Å
818	L	24.7	Very low	25.7	Very low	102 Å²	102	110.5 Å²	110.5	53%	0.534	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-84	-6.4	177.2	-73	170.8	0	0	0	113.4	P815 S816 R910	P815-L818 PolarHBondContact O-N 2.79Å; S816-L818 VanDerWaalsContact C-N 3.3Å; S816-L818 PolarHBondContact O-N 3.3Å; L818-R910 PolarHBondContact O-NH1 3.49Å
819	L	23.7	Very low	25.5	Very low	84 Å²	84	110.4 Å²	110.4	44%	0.44	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-132.8	39.9	-178.5	-82.6	165.9	0	0	0	112.5	S816 V817 G821	S816-L819 CarbonylContact O-C 3.41Å; S816-L819 PolarHBondContact O-N 3.29Å; V817-L819 VanDerWaalsContact C-N 3.35Å; L819-G821 PolarHBondContact O-N 2.9Å; L819-G821 VanDerWaalsContact O-N 3.08Å
820	R	21.4	Very low	25.4	Very low	224 Å²	224	109.8 Å²	109.8	85%	0.845	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	112.3	168.1	-91.3	-169.4	169	-167.1	-2	111.1	S816	S816-R820 PolarHBondContact O-N 3.03Å
821	G	23.3	Very low	25.2	Very low	87 Å²	87	107 Å²	107	90%	0.897	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	114.5	-1.4	159.8	0	0	0	0	0	117.3	L819	L819-G821 PolarHBondContact O-N 2.9Å; L819-G821 VanDerWaalsContact O-N 3.08Å
822	D	27.7	Very low	25.1	Very low	57 Å²	57	112.8 Å²	112.8	31%	0.305	58%	0.579	S	S	.	*			trans	-129.4	111.6	-176.1	-169.3	-13.6	0	0	0	112.2	H824 T825	D822-H824 WeakPolarHBondContact OD1-CA 3.45Å; D822-H824 PolarHBondContact OD1-N 3.24Å; D822-T825 PolarHBondContact OD1-N 3.34Å; D822-T825 WeakPolarHBondContact OD2-CB 3.45Å; D822-T825 PolarHBondContact OD2-OG1 3.26Å
823	G	25.8	Very low	25	Very low	74 Å²	74	109.8 Å²	109.8	76%	0.763	57%	0.571	S	S	*	*	S	Bend	trans	-106.2	18.6	173	0	0	0	0	0	113.6
824	H	26.7	Very low	25	Very low	177 Å²	177	109.8 Å²	109.8	82%	0.819	58%	0.575	S	S	*	*	S	Bend	trans	-126	-23.2	-173.7	-59.6	-37.9	0	0	0	113.3	D822 D826	D822-H824 WeakPolarHBondContact OD1-CA 3.45Å; D822-H824 PolarHBondContact OD1-N 3.24Å; H824-D826 PolarHBondContact O-N 2.66Å
825	T	29.5	Very low	25.2	Very low	48 Å²	48	105.1 Å²	105.1	29%	0.294	56%	0.56	S	S	.	*			trans	-71.7	91.9	170.6	-71.1	0	0	0	0	111.1	D822 N829 V830	D822-T825 PolarHBondContact OD1-N 3.34Å; D822-T825 WeakPolarHBondContact OD2-CB 3.45Å; D822-T825 PolarHBondContact OD2-OG1 3.26Å; T825-N829 HydrophobicContact CG2-CB 4.22Å; T825-V830 HydrophobicContact CG2-CG2 4.36Å
826	D	29.2	Very low	25.2	Very low	66 Å²	66	103.3 Å²	103.3	35%	0.353	55%	0.549	S	S	.	.			trans	-59	145.6	163.6	-169	-46.8	0	0	0	109.7	H824 R828 N829	H824-D826 PolarHBondContact O-N 2.66Å; D826-R828 PolarHBondContact O-N 2.74Å; D826-R828 VanDerWaalsContact OD1-CG 3.31Å; D826-R828 WeakPolarHBondContact OD1-CG 3.5Å; D826-R828 IonicContact OD1-CZ 3.13Å; D826-R828 PolarHBondContact OD1-N 3.25Å; D826-R828 VanDerWaalsContact OD1-N 3.12Å; D826-R828 IonicContact OD1-NE 2.78Å; D826-R828 PolarHBondContact OD1-NE 3.48Å; D826-R828 IonicContact OD2-CZ 2.74Å; D826-R828 IonicContact OD2-NE 3.77Å; D826-R828 PolarHBondContact OD2-NE 3.24Å; D826-R828 IonicContact OD2-NH2 3.63Å; D826-R828 PolarHBondContact OD2-NH2 2.98Å; D826-N829 WeakPolarHBondContact O-CB 3.24Å; D826-N829 PolarHBondContact O-N 3.06Å
827	W	27.8	Very low	25.6	Very low	198 Å²	198	105.7 Å²	105.7	75%	0.75	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-58.7	-21.9	-179.1	-154.2	-126.8	0	0	0	112.8	N829 V830	W827-N829 PolarHBondContact O-N 2.82Å; W827-V830 HydrophobicContact CD2-CG2 4.48Å; W827-V830 HydrophobicContact CE3-CB 4.49Å; W827-V830 HydrophobicContact CE3-CG2 3.82Å; W827-V830 HydrophobicContact CZ3-CG2 3.99Å; W827-V830 PolarHBondContact O-N 3.44Å
828	R	27.2	Very low	25.8	Very low	162 Å²	162	102.4 Å²	102.4	61%	0.611	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-57.3	-20.1	169	-67.4	175.1	-113.4	-148.8	5.3	114.8	D826 M945	D826-R828 PolarHBondContact O-N 2.74Å; D826-R828 VanDerWaalsContact OD1-CG 3.31Å; D826-R828 WeakPolarHBondContact OD1-CG 3.5Å; D826-R828 IonicContact OD1-CZ 3.13Å; D826-R828 PolarHBondContact OD1-N 3.25Å; D826-R828 VanDerWaalsContact OD1-N 3.12Å; D826-R828 IonicContact OD1-NE 2.78Å; D826-R828 PolarHBondContact OD1-NE 3.48Å; D826-R828 IonicContact OD2-CZ 2.74Å; D826-R828 IonicContact OD2-NE 3.77Å; D826-R828 PolarHBondContact OD2-NE 3.24Å; D826-R828 IonicContact OD2-NH2 3.63Å; D826-R828 PolarHBondContact OD2-NH2 2.98Å; R828-M945 HydrophobicContact CG-CE 3.84Å
829	N	27.4	Very low	26.1	Very low	71 Å²	71	101.4 Å²	101.4	38%	0.38	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-95.3	-0.9	-177	-57.7	-15.8	0	0	0	112.9	T825 D826 W827	T825-N829 HydrophobicContact CG2-CB 4.22Å; D826-N829 WeakPolarHBondContact O-CB 3.24Å; D826-N829 PolarHBondContact O-N 3.06Å; W827-N829 PolarHBondContact O-N 2.82Å
830	V	26.5	Very low	26.6	Very low	60 Å²	60	101.9 Å²	101.9	36%	0.364	52%	0.523	S	S	.	.			trans	-96.7	112.7	179.7	-176.9	0	0	0	0	109.6	T825 W827	T825-V830 HydrophobicContact CG2-CG2 4.36Å; W827-V830 HydrophobicContact CD2-CG2 4.48Å; W827-V830 HydrophobicContact CE3-CB 4.49Å; W827-V830 HydrophobicContact CE3-CG2 3.82Å; W827-V830 HydrophobicContact CZ3-CG2 3.99Å; W827-V830 PolarHBondContact O-N 3.44Å
831	F	23.3	Very low	27.3	Very low	97 Å²	97	92.2 Å²	92.2	43%	0.425	49%	0.487	S	S	.	.			trans	-108.6	145.1	-177.4	-74.8	-107.9	0	0	0	112.7	G833 W907 F949	F831-G833 PolarHBondContact O-N 2.93Å; F831-W907 HydrophobicContact CB-CH2 3.59Å; F831-W907 HydrophobicContact CB-CZ3 3.79Å; F831-W907 HydrophobicContact CD1-CH2 4.44Å; F831-W907 AromaticContact CD2-CH2 3.92Å; F831-W907 HydrophobicContact CD2-CH2 3.92Å; F831-W907 HydrophobicContact CD2-CZ3 4.43Å; F831-W907 AromaticContact CG-CH2 3.77Å; F831-W907 HydrophobicContact CG-CH2 3.77Å; F831-W907 HydrophobicContact CG-CZ3 4.35Å; F831-F949 HydrophobicContact CD1-CE1 4.36Å; F831-F949 AromaticContact CE1-CE1 3.94Å; F831-F949 HydrophobicContact CE1-CE1 3.94Å
832	F	23	Very low	28	Very low	209 Å²	209	89.8 Å²	89.8	92%	0.917	45%	0.453	S	S	*	.			trans	-77.8	85.6	170.3	-70.1	-86.9	0	0	0	111.3	L834	F832-L834 PolarHBondContact O-N 3.44Å; F832-L834 VanDerWaalsContact O-N 3.14Å
833	G	22.7	Very low	28.3	Very low	33 Å²	33	91.1 Å²	91.1	34%	0.34	46%	0.46	S	S	.	.			trans	-72.7	97.7	173	0	0	0	0	0	112.3	F831 T835	F831-G833 PolarHBondContact O-N 2.93Å; G833-T835 PolarHBondContact O-N 2.76Å
834	L	23.3	Very low	29	Very low	158 Å²	158	89.5 Å²	89.5	83%	0.827	43%	0.433	S	S	*	.			trans	-68.4	68.8	164.7	-87.7	171.4	0	0	0	110.5	F832	F832-L834 PolarHBondContact O-N 3.44Å; F832-L834 VanDerWaalsContact O-N 3.14Å
835	T	25	Very low	30	Very low	67 Å²	67	84.1 Å²	84.1	41%	0.411	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-74.9	123.3	172.7	-55.4	0	0	0	0	108.2	G833 H837 W850 F899	G833-T835 PolarHBondContact O-N 2.76Å; T835-H837 PolarHBondContact O-N 2.91Å; T835-W850 HydrophobicContact CG2-CH2 4.31Å; T835-F899 HydrophobicContact CG2-CZ 4.13Å; T835-F899 VanDerWaalsContact OG1-CE2 3.29Å; T835-F899 WeakPolarHBondContact OG1-CE2 3.48Å; T835-F899 WeakPolarHBondContact OG1-CZ 3.48Å
836	P	25.1	Very low	30.5	Very low	21 Å²	21	88.3 Å²	88.3	14%	0.136	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-67	133.3	-169	27.3	-36.9	0	0	0	112.3	I840 K841 L844 W850	P836-I840 HydrophobicContact CB-CB 3.69Å; P836-I840 HydrophobicContact CB-CG2 3.57Å; P836-K841 HydrophobicContact CB-CB 4.29Å; P836-K841 HydrophobicContact CG-CB 4.05Å; P836-K841 HydrophobicContact CG-CG 4.27Å; P836-L844 HydrophobicContact CB-CD1 3.9Å; P836-L844 HydrophobicContact CG-CD1 3.91Å; P836-W850 VanDerWaalsContact CD-CZ3 3.48Å; P836-W850 HydrophobicContact CG-CD2 4.21Å; P836-W850 HydrophobicContact CG-CE3 3.87Å; P836-W850 HydrophobicContact CG-CH2 4.25Å; P836-W850 HydrophobicContact CG-CZ3 3.88Å
837	H	29.5	Very low	30.9	Very low	100 Å²	100	88.1 Å²	88.1	46%	0.463	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-60.9	164.5	167.8	-163.8	-100	0	0	0	110.4	T835 E839 I840 K841	T835-H837 PolarHBondContact O-N 2.91Å; H837-E839 VanDerWaalsContact C-N 3.3Å; H837-E839 IonicContact CE1-OE1 3.96Å; H837-E839 IonicContact CE1-OE2 2.76Å; H837-E839 IonicContact CG-OE2 3.42Å; H837-E839 IonicContact ND1-OE1 3.63Å; H837-E839 IonicContact ND1-OE2 2.7Å; H837-E839 PolarHBondContact ND1-OE2 3.35Å; H837-E839 PolarHBondContact O-N 3.41Å; H837-E839 VanDerWaalsContact O-N 3.11Å; H837-I840 CarbonylContact O-C 3.49Å; H837-I840 WeakPolarHBondContact O-CA 3.24Å; H837-I840 PolarHBondContact O-N 3.16Å; H837-K841 PolarHBondContact O-N 2.74Å
838	Y	28.8	Very low	31.5	Very low	55 Å²	55	81.9 Å²	81.9	22%	0.216	42%	0.422	C	S	.	.	H	α-helix	trans	-55.6	-39.9	-163.4	-153.9	-91.2	0	0	0	114	E543 R548 K841 I842	E543-Y838 VanDerWaalsContact CD-OH 3.3Å; E543-Y838 WeakPolarHBondContact OE1-CE2 3.45Å; E543-Y838 VanDerWaalsContact OE1-CZ 3.26Å; E543-Y838 PolarHBondContact OE1-OH 2.86Å; E543-Y838 WeakPolarHBondContact OE2-CE2 3.23Å; R548-Y838 VanDerWaalsContact NH1-CE2 3.33Å; Y838-K841 PolarHBondContact O-N 3.19Å; Y838-I842 HydrophobicContact CD1-CD1 3.56Å; Y838-I842 HydrophobicContact CD1-CG1 4.21Å; Y838-I842 HydrophobicContact CE1-CD1 3.78Å; Y838-I842 HydrophobicContact CE1-CG1 4.34Å; Y838-I842 VanDerWaalsContact O-CG1 3.28Å; Y838-I842 WeakPolarHBondContact O-CG1 3.12Å; Y838-I842 PolarHBondContact O-N 3.18Å
839	E	30.2	Very low	32	Very low	82 Å²	82	75.4 Å²	75.4	38%	0.383	40%	0.4	S	S	.	.	H	α-helix	trans	-71.1	-36.5	177.4	-46.4	75.3	-163.1	0	0	111.9	H837 I842 L843	H837-E839 VanDerWaalsContact C-N 3.3Å; H837-E839 IonicContact CE1-OE1 3.96Å; H837-E839 IonicContact CE1-OE2 2.76Å; H837-E839 IonicContact CG-OE2 3.42Å; H837-E839 IonicContact ND1-OE1 3.63Å; H837-E839 IonicContact ND1-OE2 2.7Å; H837-E839 PolarHBondContact ND1-OE2 3.35Å; H837-E839 PolarHBondContact O-N 3.41Å; H837-E839 VanDerWaalsContact O-N 3.11Å; E839-I842 WeakPolarHBondContact O-CB 3.37Å; E839-I842 PolarHBondContact O-N 3.35Å; E839-L843 PolarHBondContact O-N 3.33Å
840	I	34.8	Very low	32.6	Very low	93 Å²	93	74.4 Å²	74.4	48%	0.477	39%	0.391	S	S	.	.	H	α-helix	trans	-72.4	-32.6	174.5	-52.3	176.1	0	0	0	110.3	P836 H837 L843 L844	P836-I840 HydrophobicContact CB-CB 3.69Å; P836-I840 HydrophobicContact CB-CG2 3.57Å; H837-I840 CarbonylContact O-C 3.49Å; H837-I840 WeakPolarHBondContact O-CA 3.24Å; H837-I840 PolarHBondContact O-N 3.16Å; I840-L843 WeakPolarHBondContact O-CB 3.1Å; I840-L843 PolarHBondContact O-N 2.87Å; I840-L844 HydrophobicContact CG2-CD1 4.08Å; I840-L844 HydrophobicContact CG2-CG 4.45Å; I840-L844 WeakPolarHBondContact O-CG 3.41Å; I840-L844 PolarHBondContact O-N 3.32Å
841	K	36.9	Very low	33.6	Very low	21 Å²	21	72.6 Å²	72.6	9%	0.091	38%	0.38	C	S	.	.	H	α-helix	trans	-68.8	-42.4	172.8	-163.8	-150.3	170.9	-160.3	0	109.5	P836 H837 Y838 L843 L844 V845 W850 D852	P836-K841 HydrophobicContact CB-CB 4.29Å; P836-K841 HydrophobicContact CG-CB 4.05Å; P836-K841 HydrophobicContact CG-CG 4.27Å; H837-K841 PolarHBondContact O-N 2.74Å; Y838-K841 PolarHBondContact O-N 3.19Å; K841-L843 VanDerWaalsContact C-N 3.25Å; K841-L843 PolarHBondContact O-N 3.03Å; K841-L844 PolarHBondContact O-N 3.34Å; K841-V845 HydrophobicContact CG-CG2 4.16Å; K841-V845 VanDerWaalsContact O-CB 3.23Å; K841-V845 WeakPolarHBondContact O-CB 3.42Å; K841-V845 WeakPolarHBondContact O-CG2 3.15Å; K841-V845 PolarHBondContact O-N 2.73Å; K841-W850 HydrophobicContact CG-CG 4.34Å; K841-D852 IonicContact NZ-OD1 2.74Å; K841-D852 PolarHBondContact NZ-OD1 3.46Å
842	I	36.7	Very low	34.6	Very low	37 Å²	37	73.8 Å²	73.8	19%	0.19	39%	0.392	C	S	.	.	H	α-helix	trans	-56	-42.5	169.8	-73.4	163.3	0	0	0	110.4	T512 Y838 E839 K846	T512-I842 HydrophobicContact CG2-CD1 4.46Å; T512-I842 WeakPolarHBondContact OG1-CD1 3.14Å; Y838-I842 HydrophobicContact CD1-CD1 3.56Å; Y838-I842 HydrophobicContact CD1-CG1 4.21Å; Y838-I842 HydrophobicContact CE1-CD1 3.78Å; Y838-I842 HydrophobicContact CE1-CG1 4.34Å; Y838-I842 VanDerWaalsContact O-CG1 3.28Å; Y838-I842 WeakPolarHBondContact O-CG1 3.12Å; Y838-I842 PolarHBondContact O-N 3.18Å; E839-I842 WeakPolarHBondContact O-CB 3.37Å; E839-I842 PolarHBondContact O-N 3.35Å; I842-K846 HydrophobicContact CG2-CD 3.92Å; I842-K846 HydrophobicContact CG2-CG 4.4Å; I842-K846 VanDerWaalsContact O-CB 3.25Å; I842-K846 WeakPolarHBondContact O-CB 3.32Å; I842-K846 WeakPolarHBondContact O-CG 3.1Å; I842-K846 PolarHBondContact O-N 3.44Å
843	L	35.4	Very low	35.2	Very low	84 Å²	84	69.7 Å²	69.7	44%	0.44	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-53.1	176.3	-150.7	85.7	0	0	0	111.5	E839 I840 K841 V845 K846 L847	E839-L843 PolarHBondContact O-N 3.33Å; I840-L843 WeakPolarHBondContact O-CB 3.1Å; I840-L843 PolarHBondContact O-N 2.87Å; K841-L843 VanDerWaalsContact C-N 3.25Å; K841-L843 PolarHBondContact O-N 3.03Å; L843-V845 VanDerWaalsContact C-N 3.35Å; L843-V845 PolarHBondContact O-N 3.05Å; L843-K846 PolarHBondContact O-N 3.17Å; L843-L847 HydrophobicContact CD2-CD1 4.41Å; L843-L847 HydrophobicContact CG-CD1 4.3Å; L843-L847 WeakPolarHBondContact O-CB 3.25Å; L843-L847 VanDerWaalsContact O-CG 3.23Å; L843-L847 WeakPolarHBondContact O-CG 3.41Å; L843-L847 PolarHBondContact O-N 3.4Å
844	L	40.7	Very low	35.9	Very low	40 Å²	40	69 Å²	69	21%	0.209	37%	0.372	C	S	.	.	H	α-helix	trans	-70.6	-27.5	-176.9	-66.3	167.3	0	0	0	113.3	P836 I840 K841 G848 I849 W850	P836-L844 HydrophobicContact CB-CD1 3.9Å; P836-L844 HydrophobicContact CG-CD1 3.91Å; I840-L844 HydrophobicContact CG2-CD1 4.08Å; I840-L844 HydrophobicContact CG2-CG 4.45Å; I840-L844 WeakPolarHBondContact O-CG 3.41Å; I840-L844 PolarHBondContact O-N 3.32Å; K841-L844 PolarHBondContact O-N 3.34Å; L844-G848 PolarHBondContact O-N 3.12Å; L844-I849 HydrophobicContact CD2-CB 4.16Å; L844-I849 HydrophobicContact CD2-CD1 3.99Å; L844-I849 HydrophobicContact CD2-CG2 4.11Å; L844-I849 PolarHBondContact O-N 2.88Å; L844-W850 HydrophobicContact CB-CB 3.69Å; L844-W850 HydrophobicContact CD1-CE3 4.39Å; L844-W850 PolarHBondContact O-N 3.35Å
845	V	46	Very low	36.5	Very low	64 Å²	64	68.5 Å²	68.5	39%	0.388	36%	0.359	S	S	.	.	H	α-helix	trans	-71.9	-43.9	169.6	169.3	0	0	0	0	110.6	K841 L843 L847 G848 W850	K841-V845 HydrophobicContact CG-CG2 4.16Å; K841-V845 VanDerWaalsContact O-CB 3.23Å; K841-V845 WeakPolarHBondContact O-CB 3.42Å; K841-V845 WeakPolarHBondContact O-CG2 3.15Å; K841-V845 PolarHBondContact O-N 2.73Å; L843-V845 VanDerWaalsContact C-N 3.35Å; L843-V845 PolarHBondContact O-N 3.05Å; V845-L847 PolarHBondContact O-N 3.44Å; V845-G848 PolarHBondContact O-N 3.4Å; V845-W850 HydrophobicContact CG2-CB 4.14Å; V845-W850 HydrophobicContact CG2-CG 4.45Å; V845-W850 WeakPolarHBondContact CG2-O 3.33Å
846	K	41	Very low	36.9	Very low	137 Å²	137	72.8 Å²	72.8	60%	0.596	37%	0.368	S	S	*	.	H	α-helix	trans	-61.3	-31.7	173.3	-79.3	175	176.7	179.1	0	112.8	I842 L843 G848	I842-K846 HydrophobicContact CG2-CD 3.92Å; I842-K846 HydrophobicContact CG2-CG 4.4Å; I842-K846 VanDerWaalsContact O-CB 3.25Å; I842-K846 WeakPolarHBondContact O-CB 3.32Å; I842-K846 WeakPolarHBondContact O-CG 3.1Å; I842-K846 PolarHBondContact O-N 3.44Å; L843-K846 PolarHBondContact O-N 3.17Å; K846-G848 VanDerWaalsContact C-N 3.33Å
847	L	37.5	Very low	37.2	Very low	62 Å²	62	75.7 Å²	75.7	33%	0.325	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.1	176	-63.7	171.4	0	0	0	113.4	L843 V845 I849 I871	L843-L847 HydrophobicContact CD2-CD1 4.41Å; L843-L847 HydrophobicContact CG-CD1 4.3Å; L843-L847 WeakPolarHBondContact O-CB 3.25Å; L843-L847 VanDerWaalsContact O-CG 3.23Å; L843-L847 WeakPolarHBondContact O-CG 3.41Å; L843-L847 PolarHBondContact O-N 3.4Å; V845-L847 PolarHBondContact O-N 3.44Å; L847-I849 HydrophobicContact CB-CD1 3.87Å; L847-I849 HydrophobicContact CB-CG1 4.12Å; L847-I849 HydrophobicContact CD1-CD1 4.27Å; L847-I849 PolarHBondContact O-N 3.42Å; L847-I871 HydrophobicContact CB-CD1 4.36Å; L847-I871 HydrophobicContact CD1-CD1 4.38Å; L847-I871 HydrophobicContact CD2-CD1 3.89Å; L847-I871 HydrophobicContact CG-CD1 4.42Å
848	G	39.7	Very low	37.1	Very low	66 Å²	66	75.6 Å²	75.6	68%	0.68	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	4.5	-179.6	0	0	0	0	0	115.6	L844 V845 K846	L844-G848 PolarHBondContact O-N 3.12Å; V845-G848 PolarHBondContact O-N 3.4Å; K846-G848 VanDerWaalsContact C-N 3.33Å
849	I	38	Very low	37.2	Very low	27 Å²	27	77.5 Å²	77.5	14%	0.138	42%	0.419	C	S	.	.	S	Bend	trans	-78.8	-29.6	-177.6	-61.3	167.6	0	0	0	111	L844 L847 I869 I871	L844-I849 HydrophobicContact CD2-CB 4.16Å; L844-I849 HydrophobicContact CD2-CD1 3.99Å; L844-I849 HydrophobicContact CD2-CG2 4.11Å; L844-I849 PolarHBondContact O-N 2.88Å; L847-I849 HydrophobicContact CB-CD1 3.87Å; L847-I849 HydrophobicContact CB-CG1 4.12Å; L847-I849 HydrophobicContact CD1-CD1 4.27Å; L847-I849 PolarHBondContact O-N 3.42Å; I849-I869 HydrophobicContact CD1-CD1 4.42Å; I849-I871 HydrophobicContact CD1-CD1 4.35Å
850	W	40.3	Very low	37	Very low	50 Å²	50	80.6 Å²	80.6	19%	0.189	44%	0.437	C	S	.	.			trans	-119.1	139.2	-177.6	-165.3	-70.9	0	0	0	111.6	T835 P836 K841 L844 V845 W855	T835-W850 HydrophobicContact CG2-CH2 4.31Å; P836-W850 VanDerWaalsContact CD-CZ3 3.48Å; P836-W850 HydrophobicContact CG-CD2 4.21Å; P836-W850 HydrophobicContact CG-CE3 3.87Å; P836-W850 HydrophobicContact CG-CH2 4.25Å; P836-W850 HydrophobicContact CG-CZ3 3.88Å; K841-W850 HydrophobicContact CG-CG 4.34Å; L844-W850 HydrophobicContact CB-CB 3.69Å; L844-W850 HydrophobicContact CD1-CE3 4.39Å; L844-W850 PolarHBondContact O-N 3.35Å; V845-W850 HydrophobicContact CG2-CB 4.14Å; V845-W850 HydrophobicContact CG2-CG 4.45Å; V845-W850 WeakPolarHBondContact CG2-O 3.33Å; W850-W855 HydrophobicContact CE3-CE3 4.41Å; W850-W855 HydrophobicContact CZ3-CE3 4.03Å
851	S	48.1	Very low	36.6	Very low	21 Å²	21	81.4 Å²	81.4	15%	0.147	45%	0.446	C	S	.	.	B	Isolated β-bridge	trans	-126.7	171.4	173.1	73.1	0	0	0	0	111.2	D853 G854 R856	S851-D853 PolarHBondContact O-N 3.42Å; S851-D853 PolarHBondContact OG-N 2.83Å; S851-G854 PolarHBondContact N-O 3.4Å; S851-G854 WeakPolarHBondContact O-CA 3.33Å; S851-G854 PolarHBondContact O-N 3.4Å; S851-G854 PolarHBondContact OG-O 3.38Å; S851-R856 WeakPolarHBondContact OG-CD 3.25Å; S851-R856 WeakPolarHBondContact OG-CG 3.43Å; S851-R856 PolarHBondContact OG-NE 3.49Å
852	D	43.1	Very low	36.1	Very low	123 Å²	123	83.5 Å²	83.5	66%	0.658	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.2	175.1	-69.9	-64.1	0	0	0	113.6	K841 G854	K841-D852 IonicContact NZ-OD1 2.74Å; K841-D852 PolarHBondContact NZ-OD1 3.46Å; D852-G854 PolarHBondContact O-N 3Å
853	D	37.1	Very low	35.6	Very low	123 Å²	123	91.1 Å²	91.1	66%	0.658	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	2.2	163.5	-42.9	-62.2	0	0	0	112.8	S851 R856	S851-D853 PolarHBondContact O-N 3.42Å; S851-D853 PolarHBondContact OG-N 2.83Å; D853-R856 IonicContact OD2-CZ 2.76Å; D853-R856 IonicContact OD2-NE 3.79Å; D853-R856 PolarHBondContact OD2-NE 2.98Å; D853-R856 IonicContact OD2-NH2 3.65Å; D853-R856 PolarHBondContact OD2-NH2 3.27Å
854	G	37.4	Very low	35.1	Very low	19 Å²	19	93 Å²	93	20%	0.196	49%	0.492	C	S	.	.	B	Isolated β-bridge	trans	87.7	-145.1	-171.8	0	0	0	0	0	113.2	S851 D852 R856	S851-G854 PolarHBondContact N-O 3.4Å; S851-G854 WeakPolarHBondContact O-CA 3.33Å; S851-G854 PolarHBondContact O-N 3.4Å; S851-G854 PolarHBondContact OG-O 3.38Å; D852-G854 PolarHBondContact O-N 3Å; G854-R856 PolarHBondContact O-N 2.79Å
855	W	34.8	Very low	34.4	Very low	147 Å²	147	93.3 Å²	93.3	56%	0.557	51%	0.505	S	S	*	.			trans	-79.2	96.4	-173.6	-164.3	-54.4	0	0	0	110.8	W850 A857 F864	W850-W855 HydrophobicContact CE3-CE3 4.41Å; W850-W855 HydrophobicContact CZ3-CE3 4.03Å; W855-A857 VanDerWaalsContact C-N 3.29Å; W855-A857 PolarHBondContact O-N 3Å; W855-F864 HydrophobicContact CZ2-CE1 4.13Å; W855-F864 AromaticContact CZ2-CZ 3.69Å; W855-F864 HydrophobicContact CZ2-CZ 3.69Å; W855-F864 AromaticContact NE1-CE2 3.99Å; W855-F864 AromaticContact NE1-CZ 3.81Å
856	R	34.6	Very low	33.3	Very low	156 Å²	156	101.5 Å²	101.5	59%	0.589	53%	0.529	S	S	*	.			trans	-74.8	77.7	176.9	-81.6	176.8	176.7	-150.6	3.6	111.3	S851 D853 G854 S858	S851-R856 WeakPolarHBondContact OG-CD 3.25Å; S851-R856 WeakPolarHBondContact OG-CG 3.43Å; S851-R856 PolarHBondContact OG-NE 3.49Å; D853-R856 IonicContact OD2-CZ 2.76Å; D853-R856 IonicContact OD2-NE 3.79Å; D853-R856 PolarHBondContact OD2-NE 2.98Å; D853-R856 IonicContact OD2-NH2 3.65Å; D853-R856 PolarHBondContact OD2-NH2 3.27Å; G854-R856 PolarHBondContact O-N 2.79Å; R856-S858 PolarHBondContact O-N 3.37Å
857	A	29.5	Very low	32.5	Very low	83 Å²	83	103.8 Å²	103.8	69%	0.686	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	33.1	173.5	0	0	0	0	0	113.5	W855	W855-A857 VanDerWaalsContact C-N 3.29Å; W855-A857 PolarHBondContact O-N 3Å
858	S	29.5	Very low	31.9	Very low	98 Å²	98	102.8 Å²	102.8	69%	0.685	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-5.3	-163.4	50.2	0	0	0	0	115.4	R856	R856-S858 PolarHBondContact O-N 3.37Å
859	D	29.2	Very low	31.2	Very low	95 Å²	95	103.9 Å²	103.9	51%	0.508	53%	0.528	S	S	.	.			trans	-95.6	125.9	172.9	-159.7	-50.1	0	0	0	111.2	T861 T862	D859-T861 PolarHBondContact O-N 3.06Å; D859-T861 WeakPolarHBondContact OD1-CB 3.39Å; D859-T861 WeakPolarHBondContact OD1-CG2 3.46Å; D859-T861 PolarHBondContact OD1-N 3.21Å; D859-T861 PolarHBondContact OD1-OG1 2.9Å; D859-T862 PolarHBondContact O-N 2.76Å
860	L	27	Very low	30.7	Very low	147 Å²	147	112.3 Å²	112.3	77%	0.77	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-9.1	-177.1	-75.1	165.2	0	0	0	114	R863	L860-R863 WeakPolarHBondContact O-CG 3.47Å; L860-R863 PolarHBondContact O-NE 2.99Å
861	T	25.7	Very low	30.1	Very low	110 Å²	110	114.2 Å²	114.2	68%	0.675	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-41.1	171.4	56.4	0	0	0	0	112.1	D859 R863	D859-T861 PolarHBondContact O-N 3.06Å; D859-T861 WeakPolarHBondContact OD1-CB 3.39Å; D859-T861 WeakPolarHBondContact OD1-CG2 3.46Å; D859-T861 PolarHBondContact OD1-N 3.21Å; D859-T861 PolarHBondContact OD1-OG1 2.9Å; T861-R863 PolarHBondContact O-N 3.04Å
862	T	27.7	Very low	29	Very low	65 Å²	65	121.1 Å²	121.1	40%	0.399	61%	0.606	S	S	.	*	S	Bend	trans	-78.5	60.5	178.8	-47.6	0	0	0	0	111.3	D859 F864	D859-T862 PolarHBondContact O-N 2.76Å; T862-F864 HydrophobicContact CG2-CE2 4.45Å; T862-F864 PolarHBondContact O-N 2.95Å
863	R	24.5	Very low	28.2	Very low	196 Å²	196	118.2 Å²	118.2	74%	0.74	60%	0.596	S	S	*	*			trans	-68.9	115.4	176.6	-66.3	-172.1	177.6	-167	-3.3	110.1	L860 T861 G865	L860-R863 WeakPolarHBondContact O-CG 3.47Å; L860-R863 PolarHBondContact O-NE 2.99Å; T861-R863 PolarHBondContact O-N 3.04Å; R863-G865 PolarHBondContact O-N 3.01Å
864	F	24.8	Very low	27.6	Very low	124 Å²	124	115.5 Å²	115.5	54%	0.544	60%	0.596	S	S	.	*			trans	-65.9	69.8	154.6	-71.6	-90.5	0	0	0	109.4	W855 T862	W855-F864 HydrophobicContact CZ2-CE1 4.13Å; W855-F864 AromaticContact CZ2-CZ 3.69Å; W855-F864 HydrophobicContact CZ2-CZ 3.69Å; W855-F864 AromaticContact NE1-CE2 3.99Å; W855-F864 AromaticContact NE1-CZ 3.81Å; T862-F864 HydrophobicContact CG2-CE2 4.45Å; T862-F864 PolarHBondContact O-N 2.95Å
865	G	26.5	Very low	27	Very low	47 Å²	47	122.1 Å²	122.1	49%	0.485	63%	0.627	S	S	.	*			trans	-68	172.3	166.7	0	0	0	0	0	109.8	R863 R867	R863-G865 PolarHBondContact O-N 3.01Å; G865-R867 PolarHBondContact O-N 3.14Å
866	R	23.5	Very low	26.5	Very low	236 Å²	236	121.7 Å²	121.7	89%	0.891	64%	0.635	S	S	*	*	S	Bend	trans	-60.7	-11.8	171.3	-74.7	-178.4	172.1	176.1	-3.5	113.4	W974	R866-W974 WeakPolarHBondContact O-CH2 3.27Å; R866-W974 WeakPolarHBondContact O-CZ2 3.5Å
867	R	23.2	Very low	26	Very low	185 Å²	185	119.2 Å²	119.2	70%	0.698	64%	0.641	S	S	*	*	S	Bend	trans	-114.3	50.6	-167.4	-59.4	-178.2	170.7	-168.7	-6.2	114.3	G865 W974	G865-R867 PolarHBondContact O-N 3.14Å; R867-W974 HydrophobicContact CB-CH2 4.19Å; R867-W974 HydrophobicContact CB-CZ3 3.97Å; R867-W974 HydrophobicContact CG-CH2 3.78Å; R867-W974 HydrophobicContact CG-CZ3 3.86Å
868	G	24.8	Very low	25.8	Very low	40 Å²	40	120 Å²	120	41%	0.412	63%	0.632	S	S	.	*			trans	65.4	-160.5	174.5	0	0	0	0	0	115.5
869	I	27	Very low	25.5	Very low	90 Å²	90	119.8 Å²	119.8	46%	0.462	62%	0.623	S	S	.	*			trans	-104.5	118.4	-174.1	-56.3	174.6	0	0	0	109.6	I849 I871	I849-I869 HydrophobicContact CD1-CD1 4.42Å; I869-I871 HydrophobicContact CG2-CG1 3.93Å
870	R	25.5	Very low	25.2	Very low	203 Å²	203	122.6 Å²	122.6	77%	0.766	63%	0.633	S	S	*	*			trans	-88.9	119.2	166.4	-91.1	-175.7	160.7	-171.6	-10.3	110.4	E988	R870-E988 IonicContact NH2-OE1 2.95Å
871	I	27.8	Very low	25	Very low	91 Å²	91	120.2 Å²	120.2	47%	0.467	62%	0.619	S	S	.	*			trans	-105.9	122.3	169.6	-52.8	-174.9	0	0	0	107.3	L847 I849 I869	L847-I871 HydrophobicContact CB-CD1 4.36Å; L847-I871 HydrophobicContact CD1-CD1 4.38Å; L847-I871 HydrophobicContact CD2-CD1 3.89Å; L847-I871 HydrophobicContact CG-CD1 4.42Å; I849-I871 HydrophobicContact CD1-CD1 4.35Å; I869-I871 HydrophobicContact CG2-CG1 3.93Å
872	N	25.4	Very low	25.1	Very low	166 Å²	166	119.6 Å²	119.6	89%	0.888	61%	0.609	S	S	*	*			trans	-119.4	77.1	-170	-169.8	29.7	0	0	0	111.1
873	S	27.1	Very low	25	Very low	62 Å²	62	120 Å²	120	43%	0.434	61%	0.611	S	S	.	*			trans	-142	95.1	-179.1	58	0	0	0	0	110.7	D875	S873-D875 PolarHBondContact O-N 3.42Å; S873-D875 VanDerWaalsContact O-N 3.14Å
874	G	23.2	Very low	24.9	Very low	65 Å²	65	112.4 Å²	112.4	67%	0.67	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-5.9	-171.4	0	0	0	0	0	116.4
875	D	24.9	Very low	24.9	Very low	158 Å²	158	112.4 Å²	112.4	85%	0.845	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	2.9	-169	-53.9	-72.3	0	0	0	114.4	S873	S873-D875 PolarHBondContact O-N 3.42Å; S873-D875 VanDerWaalsContact O-N 3.14Å
876	L	25	Very low	24.8	Very low	139 Å²	139	113 Å²	113	73%	0.728	59%	0.593	S	S	*	*			trans	-122.8	78.5	-171.5	-72.3	174.2	0	0	0	113.3	L878	L876-L878 PolarHBondContact O-N 3.04Å
877	C	23.6	Very low	24.9	Very low	104 Å²	104	109 Å²	109	70%	0.703	59%	0.588	S	S	*	*			trans	-76	108.4	169.7	-169.6	0	0	0	0	110.7	L879	C877-L879 PolarHBondContact O-N 3.43Å
878	L	25.1	Very low	24.9	Very low	98 Å²	98	104.7 Å²	104.7	51%	0.513	59%	0.586	S	S	.	*			trans	-67.9	114.5	171.5	-78	168.9	0	0	0	110	L876	L876-L878 PolarHBondContact O-N 3.04Å
879	L	24	Very low	24.8	Very low	94 Å²	94	106.7 Å²	106.7	49%	0.492	60%	0.599	S	S	.	*			trans	-72	138.8	175	-70.3	168.4	0	0	0	109.7	C877 M881 Q882	C877-L879 PolarHBondContact O-N 3.43Å; L879-M881 HydrophobicContact CD1-CE 4.29Å; L879-M881 PolarHBondContact O-N 3.05Å; L879-Q882 HydrophobicContact CB-CG 4.16Å; L879-Q882 WeakPolarHBondContact O-CA 3.13Å; L879-Q882 VanDerWaalsContact O-CB 3.29Å; L879-Q882 WeakPolarHBondContact O-CB 3.39Å; L879-Q882 PolarHBondContact O-N 3.39Å
880	E	23.6	Very low	24.5	Very low	154 Å²	154	106.2 Å²	106.2	72%	0.72	61%	0.608	S	S	*	*	H	α-helix	trans	-50.8	-34	176.6	-171.8	-179.9	-148.4	0	0	112.8	Q882 V883 G884	E880-Q882 VanDerWaalsContact C-N 3.28Å; E880-Q882 PolarHBondContact O-N 3.47Å; E880-V883 PolarHBondContact O-N 3.4Å; E880-V883 VanDerWaalsContact O-N 3.1Å; E880-G884 PolarHBondContact O-N 3.23Å
881	M	23.2	Very low	24.5	Very low	97 Å²	97	104.3 Å²	104.3	48%	0.478	61%	0.613	S	S	.	*	H	α-helix	trans	-61	-32.1	174.7	-57.5	-172	-65.4	0	0	113.5	K419 L879 V883 E885	K419-M881 HydrophobicContact CD-SD 4.39Å; K419-M881 PolarHBondContact NZ-SD 3.27Å; L879-M881 HydrophobicContact CD1-CE 4.29Å; L879-M881 PolarHBondContact O-N 3.05Å; M881-V883 PolarHBondContact O-N 2.81Å; M881-E885 PolarHBondContact O-N 2.93Å
882	Q	26.1	Very low	24.4	Very low	98 Å²	98	110.9 Å²	110.9	46%	0.458	63%	0.632	S	S	.	*	H	α-helix	trans	-76.1	-13	178.2	-61.8	169.9	-31.4	0	0	112.8	L879 E880	L879-Q882 HydrophobicContact CB-CG 4.16Å; L879-Q882 WeakPolarHBondContact O-CA 3.13Å; L879-Q882 VanDerWaalsContact O-CB 3.29Å; L879-Q882 WeakPolarHBondContact O-CB 3.39Å; L879-Q882 PolarHBondContact O-N 3.39Å; E880-Q882 VanDerWaalsContact C-N 3.28Å; E880-Q882 PolarHBondContact O-N 3.47Å
883	V	25.7	Very low	24.4	Very low	72 Å²	72	105.3 Å²	105.3	44%	0.436	60%	0.604	S	S	.	*	H	α-helix	trans	-96.9	-42.4	172.5	-174.1	0	0	0	0	110	E880 M881 E885 S886	E880-V883 PolarHBondContact O-N 3.4Å; E880-V883 VanDerWaalsContact O-N 3.1Å; M881-V883 PolarHBondContact O-N 2.81Å; V883-E885 PolarHBondContact O-N 3.05Å; V883-S886 PolarHBondContact O-N 3.32Å
884	G	23.5	Very low	24.3	Very low	37 Å²	37	104.6 Å²	104.6	38%	0.381	60%	0.598	S	S	.	*	H	α-helix	trans	-60.8	-42	-178.8	0	0	0	0	0	114.9	E880 S886 L887 S888	E880-G884 PolarHBondContact O-N 3.23Å; G884-S886 PolarHBondContact O-N 2.98Å; G884-S886 VanDerWaalsContact O-N 3.13Å; G884-L887 PolarHBondContact O-N 3.16Å; G884-L887 VanDerWaalsContact O-N 3.17Å; G884-S888 PolarHBondContact O-N 3.46Å; G884-S888 PolarHBondContact O-OG 3.35Å
885	E	24.2	Very low	24.5	Very low	125 Å²	125	109.2 Å²	109.2	58%	0.584	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-19.8	-178.6	-74.1	-164.4	167.6	0	0	113.8	M881 V883	M881-E885 PolarHBondContact O-N 2.93Å; V883-E885 PolarHBondContact O-N 3.05Å
886	S	24.8	Very low	24.6	Very low	60 Å²	60	103.2 Å²	103.2	42%	0.42	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.8	-7	179.8	-59.7	0	0	0	0	114.2	V883 G884	V883-S886 PolarHBondContact O-N 3.32Å; G884-S886 PolarHBondContact O-N 2.98Å; G884-S886 VanDerWaalsContact O-N 3.13Å
887	L	24.6	Very low	24.7	Very low	152 Å²	152	100.7 Å²	100.7	80%	0.796	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	-3	-177.8	-68.3	171.5	0	0	0	113.5	G884	G884-L887 PolarHBondContact O-N 3.16Å; G884-L887 VanDerWaalsContact O-N 3.17Å
888	S	23.3	Very low	24.8	Very low	93 Å²	93	101 Å²	101	65%	0.65	54%	0.544	S	S	*	.			trans	-107.9	7.8	-171.7	60.5	0	0	0	0	115.4	G884	G884-S888 PolarHBondContact O-N 3.46Å; G884-S888 PolarHBondContact O-OG 3.35Å
889	A	22.7	Very low	24.9	Very low	83 Å²	83	97.9 Å²	97.9	69%	0.686	53%	0.526	S	S	*	.	S	Bend	trans	-85.7	126.7	177.6	0	0	0	0	0	111.7
890	A	22.1	Very low	25.2	Very low	80 Å²	80	95.7 Å²	95.7	66%	0.661	51%	0.513	S	S	*	.	S	Bend	trans	-60.5	142.4	-166.5	0	0	0	0	0	116
891	N	24.2	Very low	25.3	Very low	163 Å²	163	93 Å²	93	87%	0.872	50%	0.497	S	S	*	.			trans	59.5	50.9	156.4	-62.3	-17.6	0	0	0	118.1
892	R	25.9	Very low	25.8	Very low	229 Å²	229	90.4 Å²	90.4	86%	0.864	49%	0.485	S	S	*	.			trans	-127.2	91.9	176.8	-66.1	-170	177.4	-163	-2.2	115.9
893	V	25.2	Very low	25.8	Very low	49 Å²	49	89 Å²	89	30%	0.297	50%	0.497	S	S	.	.			trans	25.4	105.4	131.6	172.1	0	0	0	0	116.6	R895 A914 F915	V893-R895 HydrophobicContact CG1-CG 3.96Å; V893-A914 HydrophobicContact CG1-CB 4.3Å; V893-F915 WeakPolarHBondContact CG1-O 3.24Å
894	P	25.1	Very low	25.9	Very low	47 Å²	47	93.5 Å²	93.5	31%	0.305	51%	0.513	S	S	.	.			trans	-68.9	157.2	161.2	31.1	-33.6	0	0	0	110.9	F915 L921	P894-F915 HydrophobicContact CG-CB 4.4Å; P894-F915 PolarHBondContact O-N 3.32Å; P894-L921 HydrophobicContact CB-CD1 3.78Å; P894-L921 HydrophobicContact CG-CD1 3.88Å
895	R	28	Very low	25.9	Very low	161 Å²	161	93.6 Å²	93.6	61%	0.608	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.1	-177.5	-58	-169.6	-179.9	-175.4	-0.4	111.3	V893 I913	V893-R895 HydrophobicContact CG1-CG 3.96Å; R895-I913 WeakPolarHBondContact CA-O 3.37Å; R895-I913 WeakPolarHBondContact CB-O 3.14Å
896	A	26	Very low	26	Very low	32 Å²	32	93.9 Å²	93.9	26%	0.264	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	144	170.9	0	0	0	0	0	109.9	A912 I913 F915	A896-A912 WeakPolarHBondContact O-CA 3.29Å; A896-I913 PolarHBondContact N-O 3.18Å; A896-I913 PolarHBondContact O-N 3.03Å; A896-F915 HydrophobicContact CB-CE2 3.68Å; A896-F915 HydrophobicContact CB-CZ 4.24Å
897	I	27.3	Very low	26.1	Very low	87 Å²	87	96.8 Å²	96.8	45%	0.446	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.4	180	-57.7	175.8	0	0	0	107.9	F899 P909 E911 A912	I897-F899 HydrophobicContact CB-CE2 3.97Å; I897-F899 HydrophobicContact CB-CZ 4.41Å; I897-F899 HydrophobicContact CG2-CD2 4.28Å; I897-F899 HydrophobicContact CG2-CE1 4.46Å; I897-F899 HydrophobicContact CG2-CE2 3.64Å; I897-F899 HydrophobicContact CG2-CZ 3.74Å; I897-P909 HydrophobicContact CG2-CB 4.23Å; I897-E911 WeakPolarHBondContact CA-O 3.5Å; I897-A912 HydrophobicContact CG1-CB 4.17Å
898	F	26	Very low	26.3	Very low	111 Å²	111	93.3 Å²	93.3	49%	0.487	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.3	178.5	-65.2	-90.8	0	0	0	110.3	R910 E911 I913	F898-R910 PolarHBondContact O-N 3.09Å; F898-E911 HydrophobicContact CD2-CB 4.47Å; F898-E911 PolarHBondContact N-O 3.2Å; F898-I913 HydrophobicContact CE2-CD1 3.73Å; F898-I913 HydrophobicContact CE2-CG1 4.1Å; F898-I913 HydrophobicContact CZ-CD1 4.4Å
899	F	27.7	Very low	26.5	Very low	32 Å²	32	93.2 Å²	93.2	14%	0.14	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.3	177.7	-68.7	-88.2	0	0	0	110.6	T835 I897 W907 L908 P909	T835-F899 HydrophobicContact CG2-CZ 4.13Å; T835-F899 VanDerWaalsContact OG1-CE2 3.29Å; T835-F899 WeakPolarHBondContact OG1-CE2 3.48Å; T835-F899 WeakPolarHBondContact OG1-CZ 3.48Å; I897-F899 HydrophobicContact CB-CE2 3.97Å; I897-F899 HydrophobicContact CB-CZ 4.41Å; I897-F899 HydrophobicContact CG2-CD2 4.28Å; I897-F899 HydrophobicContact CG2-CE1 4.46Å; I897-F899 HydrophobicContact CG2-CE2 3.64Å; I897-F899 HydrophobicContact CG2-CZ 3.74Å; F899-W907 HydrophobicContact CB-CE3 4.23Å; F899-W907 HydrophobicContact CD1-CB 4.4Å; F899-L908 WeakPolarHBondContact CA-O 3.46Å; F899-P909 HydrophobicContact CD1-CB 4.23Å; F899-P909 HydrophobicContact CE1-CB 3.91Å
900	H	29.4	Very low	26.8	Very low	48 Å²	48	95.1 Å²	95.1	22%	0.222	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.9	171.7	130	-57.1	0	0	0	109.2	D902 L908	H900-D902 VanDerWaalsContact CE1-CA 3.49Å; H900-D902 WeakPolarHBondContact CE1-CA 3.08Å; H900-L908 PolarHBondContact N-O 3.06Å; H900-L908 PolarHBondContact O-N 3.32Å
901	Y	27	Very low	26.9	Very low	96 Å²	96	96 Å²	96	38%	0.376	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.8	178.6	-166.6	-96.2	0	0	0	109.2	G903 W907	Y901-G903 PolarHBondContact O-N 2.85Å; Y901-G903 VanDerWaalsContact O-N 3.07Å; Y901-W907 HydrophobicContact CD2-CD2 4.04Å; Y901-W907 AromaticContact CD2-CE2 3.87Å; Y901-W907 HydrophobicContact CD2-CE3 4.03Å; Y901-W907 AromaticContact CD2-CH2 3.74Å; Y901-W907 HydrophobicContact CD2-CH2 3.74Å; Y901-W907 AromaticContact CD2-CZ2 3.74Å; Y901-W907 HydrophobicContact CD2-CZ2 3.74Å; Y901-W907 AromaticContact CD2-CZ3 3.89Å; Y901-W907 HydrophobicContact CD2-CZ3 3.89Å; Y901-W907 HydrophobicContact CE2-CH2 4.35Å; Y901-W907 AromaticContact CE2-CZ2 3.95Å; Y901-W907 HydrophobicContact CE2-CZ2 3.95Å
902	D	32.3	Very low	27.1	Very low	43 Å²	43	91.5 Å²	91.5	23%	0.23	46%	0.46	C	S	.	.			trans	-78.1	9.7	-164.2	77.4	-17.1	0	0	0	116.2	H900 Q904 G905 K906 L908	H900-D902 VanDerWaalsContact CE1-CA 3.49Å; H900-D902 WeakPolarHBondContact CE1-CA 3.08Å; D902-Q904 PolarHBondContact O-N 3.25Å; D902-Q904 WeakPolarHBondContact OD1-CA 3.32Å; D902-Q904 PolarHBondContact OD1-N 2.99Å; D902-G905 PolarHBondContact OD1-N 2.96Å; D902-G905 VanDerWaalsContact OD1-N 3.12Å; D902-K906 PolarHBondContact N-O 3.14Å; D902-K906 VanDerWaalsContact N-O 3.09Å; D902-K906 PolarHBondContact OD1-N 3.39Å; D902-K906 WeakPolarHBondContact OD2-CB 3.43Å; D902-L908 HydrophobicContact CB-CD1 4.1Å; D902-L908 HydrophobicContact CB-CG 4.46Å
903	G	25.8	Very low	27.1	Very low	68 Å²	68	83.7 Å²	83.7	70%	0.701	44%	0.435	S	S	*	.	S	Bend	trans	70.2	-10.6	-173.5	0	0	0	0	0	115	Y901	Y901-G903 PolarHBondContact O-N 2.85Å; Y901-G903 VanDerWaalsContact O-N 3.07Å
904	Q	28.4	Very low	27.2	Very low	167 Å²	167	84.3 Å²	84.3	78%	0.78	45%	0.445	S	S	*	.	S	Bend	trans	-103.7	4.6	176.3	-55	-168.4	6.1	0	0	112.8	D902	D902-Q904 PolarHBondContact O-N 3.25Å; D902-Q904 WeakPolarHBondContact OD1-CA 3.32Å; D902-Q904 PolarHBondContact OD1-N 2.99Å
905	G	24.2	Very low	27.2	Very low	40 Å²	40	82.5 Å²	82.5	41%	0.412	43%	0.432	S	S	.	.	S	Bend	trans	92.1	12.6	178.1	0	0	0	0	0	114.7	D902	D902-G905 PolarHBondContact OD1-N 2.96Å; D902-G905 VanDerWaalsContact OD1-N 3.12Å
906	K	25.5	Very low	27	Very low	130 Å²	130	76.3 Å²	76.3	57%	0.565	42%	0.419	S	S	*	.			trans	-106.4	141.1	174.6	-64.8	172.5	178	168.8	0	112.2	D902	D902-K906 PolarHBondContact N-O 3.14Å; D902-K906 VanDerWaalsContact N-O 3.09Å; D902-K906 PolarHBondContact OD1-N 3.39Å; D902-K906 WeakPolarHBondContact OD2-CB 3.43Å
907	W	27.9	Very low	26.9	Very low	121 Å²	121	75.5 Å²	75.5	46%	0.458	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.1	166.9	-60.9	99.7	0	0	0	109.3	F831 F899 Y901	F831-W907 HydrophobicContact CB-CH2 3.59Å; F831-W907 HydrophobicContact CB-CZ3 3.79Å; F831-W907 HydrophobicContact CD1-CH2 4.44Å; F831-W907 AromaticContact CD2-CH2 3.92Å; F831-W907 HydrophobicContact CD2-CH2 3.92Å; F831-W907 HydrophobicContact CD2-CZ3 4.43Å; F831-W907 AromaticContact CG-CH2 3.77Å; F831-W907 HydrophobicContact CG-CH2 3.77Å; F831-W907 HydrophobicContact CG-CZ3 4.35Å; F899-W907 HydrophobicContact CB-CE3 4.23Å; F899-W907 HydrophobicContact CD1-CB 4.4Å; Y901-W907 HydrophobicContact CD2-CD2 4.04Å; Y901-W907 AromaticContact CD2-CE2 3.87Å; Y901-W907 HydrophobicContact CD2-CE3 4.03Å; Y901-W907 AromaticContact CD2-CH2 3.74Å; Y901-W907 HydrophobicContact CD2-CH2 3.74Å; Y901-W907 AromaticContact CD2-CZ2 3.74Å; Y901-W907 HydrophobicContact CD2-CZ2 3.74Å; Y901-W907 AromaticContact CD2-CZ3 3.89Å; Y901-W907 HydrophobicContact CD2-CZ3 3.89Å; Y901-W907 HydrophobicContact CE2-CH2 4.35Å; Y901-W907 AromaticContact CE2-CZ2 3.95Å; Y901-W907 HydrophobicContact CE2-CZ2 3.95Å
908	L	27.5	Very low	26.7	Very low	80 Å²	80	74.4 Å²	74.4	42%	0.419	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.8	172.8	-62	-179.6	0	0	0	109.8	F899 H900 D902	F899-L908 WeakPolarHBondContact CA-O 3.46Å; H900-L908 PolarHBondContact N-O 3.06Å; H900-L908 PolarHBondContact O-N 3.32Å; D902-L908 HydrophobicContact CB-CD1 4.1Å; D902-L908 HydrophobicContact CB-CG 4.46Å
909	P	28.5	Very low	26.7	Very low	90 Å²	90	75.2 Å²	75.2	58%	0.584	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	133.5	170.7	30.5	-32.9	0	0	0	109.2	I897 F899	I897-P909 HydrophobicContact CG2-CB 4.23Å; F899-P909 HydrophobicContact CD1-CB 4.23Å; F899-P909 HydrophobicContact CE1-CB 3.91Å
910	R	28.1	Very low	26.6	Very low	124 Å²	124	76 Å²	76	47%	0.468	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-38	-169.6	-144.2	178.5	-168.7	-146.4	0.4	113.7	L818 F898	L818-R910 PolarHBondContact O-NH1 3.49Å; F898-R910 PolarHBondContact O-N 3.09Å
911	E	26	Very low	26.4	Very low	97 Å²	97	76.4 Å²	76.4	45%	0.453	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	151.7	178.2	-168.7	164.5	-154.7	0	0	110.7	I897 F898	I897-E911 WeakPolarHBondContact CA-O 3.5Å; F898-E911 HydrophobicContact CD2-CB 4.47Å; F898-E911 PolarHBondContact N-O 3.2Å
912	A	27.1	Very low	26.3	Very low	70 Å²	70	76 Å²	76	58%	0.579	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	112.7	178.8	0	0	0	0	0	110.6	A896 I897	A896-A912 WeakPolarHBondContact O-CA 3.29Å; I897-A912 HydrophobicContact CG1-CB 4.17Å
913	I	26.7	Very low	26	Very low	65 Å²	65	78.2 Å²	78.2	33%	0.333	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	129	-177.1	-59.3	-175.3	0	0	0	110.1	R895 A896 F898 F915	R895-I913 WeakPolarHBondContact CA-O 3.37Å; R895-I913 WeakPolarHBondContact CB-O 3.14Å; A896-I913 PolarHBondContact N-O 3.18Å; A896-I913 PolarHBondContact O-N 3.03Å; F898-I913 HydrophobicContact CE2-CD1 3.73Å; F898-I913 HydrophobicContact CE2-CG1 4.1Å; F898-I913 HydrophobicContact CZ-CD1 4.4Å; I913-F915 HydrophobicContact CB-CE2 4.1Å; I913-F915 HydrophobicContact CB-CZ 4.07Å; I913-F915 HydrophobicContact CG2-CD1 4.28Å; I913-F915 HydrophobicContact CG2-CD2 4.35Å; I913-F915 HydrophobicContact CG2-CE1 3.84Å; I913-F915 HydrophobicContact CG2-CE2 3.9Å; I913-F915 HydrophobicContact CG2-CZ 3.63Å
914	A	25.9	Very low	25.9	Very low	62 Å²	62	79.1 Å²	79.1	51%	0.512	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	107	177.3	0	0	0	0	0	111.1	V893 G916	V893-A914 HydrophobicContact CG1-CB 4.3Å; A914-G916 PolarHBondContact O-N 3.41Å
915	F	25.9	Very low	25.7	Very low	9 Å²	9	74.5 Å²	74.5	4%	0.039	40%	0.402	C	S	.	.			trans	-85.4	106.5	-178.8	-60.1	-84.3	0	0	0	110.4	V893 P894 A896 I913 G917 Q920 L921 H924	V893-F915 WeakPolarHBondContact CG1-O 3.24Å; P894-F915 HydrophobicContact CG-CB 4.4Å; P894-F915 PolarHBondContact O-N 3.32Å; A896-F915 HydrophobicContact CB-CE2 3.68Å; A896-F915 HydrophobicContact CB-CZ 4.24Å; I913-F915 HydrophobicContact CB-CE2 4.1Å; I913-F915 HydrophobicContact CB-CZ 4.07Å; I913-F915 HydrophobicContact CG2-CD1 4.28Å; I913-F915 HydrophobicContact CG2-CD2 4.35Å; I913-F915 HydrophobicContact CG2-CE1 3.84Å; I913-F915 HydrophobicContact CG2-CE2 3.9Å; I913-F915 HydrophobicContact CG2-CZ 3.63Å; F915-G917 VanDerWaalsContact C-N 3.31Å; F915-G917 PolarHBondContact O-N 2.75Å; F915-Q920 HydrophobicContact CB-CB 3.9Å; F915-Q920 HydrophobicContact CD1-CB 4.03Å; F915-Q920 WeakPolarHBondContact CD1-O 3.43Å; F915-Q920 HydrophobicContact CG-CB 4.47Å; F915-L921 HydrophobicContact CD1-CB 4.37Å; F915-L921 HydrophobicContact CD1-CG 4.18Å; F915-L921 HydrophobicContact CD2-CB 4.5Å; F915-L921 HydrophobicContact CD2-CD1 3.57Å; F915-L921 HydrophobicContact CD2-CG 3.76Å; F915-L921 HydrophobicContact CE1-CG 4.23Å; F915-L921 HydrophobicContact CE2-CD1 3.84Å; F915-L921 HydrophobicContact CE2-CG 3.82Å; F915-L921 HydrophobicContact CG-CB 4.23Å; F915-L921 HydrophobicContact CG-CD1 4.1Å; F915-L921 HydrophobicContact CG-CG 3.95Å; F915-L921 HydrophobicContact CZ-CG 4.05Å; F915-H924 HydrophobicContact CE1-CB 4.18Å
916	G	23.3	Very low	25.7	Very low	31 Å²	31	75 Å²	75	32%	0.32	40%	0.402	S	S	.	.	S	Bend	trans	-65.9	83	-179.1	0	0	0	0	0	112.4	A914 W919	A914-G916 PolarHBondContact O-N 3.41Å; G916-W919 PolarHBondContact O-NE1 2.88Å
917	G	23.7	Very low	25.6	Very low	14 Å²	14	75.1 Å²	75.1	14%	0.144	41%	0.405	C	S	.	.	S	Bend	trans	92.2	147.3	-175.1	0	0	0	0	0	112.4	F915 W919 Q920	F915-G917 VanDerWaalsContact C-N 3.31Å; F915-G917 PolarHBondContact O-N 2.75Å; G917-W919 PolarHBondContact O-N 3.4Å; G917-Q920 PolarHBondContact O-N 3.02Å; G917-Q920 VanDerWaalsContact O-N 3.07Å
918	P	24.1	Very low	25.4	Very low	64 Å²	64	75.3 Å²	75.3	42%	0.416	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-28.1	-177.1	-28.3	32.6	0	0	0	115.6	F755 Q920 L921	F755-P918 HydrophobicContact CE1-CG 4.4Å; F755-P918 HydrophobicContact CZ-CB 4.01Å; F755-P918 HydrophobicContact CZ-CG 3.87Å; P918-Q920 VanDerWaalsContact C-N 3.27Å; P918-Q920 PolarHBondContact O-N 3.4Å; P918-L921 PolarHBondContact O-N 3.45Å
919	W	25.9	Very low	25.2	Very low	129 Å²	129	76.7 Å²	76.7	49%	0.489	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.6	176	40.3	45.8	0	0	0	114.1	F755 G916 G917 L921 F922	F755-W919 HydrophobicContact CB-CZ3 4.38Å; F755-W919 HydrophobicContact CD2-CD2 4.3Å; F755-W919 AromaticContact CD2-CE3 3.28Å; F755-W919 HydrophobicContact CD2-CE3 3.28Å; F755-W919 HydrophobicContact CD2-CH2 4.38Å; F755-W919 AromaticContact CD2-CZ3 3.33Å; F755-W919 HydrophobicContact CD2-CZ3 3.33Å; F755-W919 HydrophobicContact CE2-CB 4.45Å; F755-W919 AromaticContact CE2-CD2 3.84Å; F755-W919 HydrophobicContact CE2-CD2 3.84Å; F755-W919 AromaticContact CE2-CE3 3.24Å; F755-W919 HydrophobicContact CE2-CE3 3.24Å; F755-W919 HydrophobicContact CE2-CG 4.38Å; F755-W919 AromaticContact CE2-CZ3 3.69Å; F755-W919 HydrophobicContact CE2-CZ3 3.69Å; F755-W919 HydrophobicContact CG-CE3 4.26Å; F755-W919 AromaticContact CG-CZ3 3.87Å; F755-W919 HydrophobicContact CG-CZ3 3.87Å; F755-W919 HydrophobicContact CZ-CE3 4.2Å; F755-W919 HydrophobicContact CZ-CZ3 4.46Å; G916-W919 PolarHBondContact O-NE1 2.88Å; G917-W919 PolarHBondContact O-N 3.4Å; W919-L921 VanDerWaalsContact C-N 3.27Å; W919-L921 PolarHBondContact O-N 3.28Å; W919-F922 PolarHBondContact O-N 2.8Å; W919-F922 VanDerWaalsContact O-N 3.08Å
920	Q	26	Very low	25	Very low	47 Å²	47	75.4 Å²	75.4	22%	0.22	41%	0.413	C	S	.	.	H	α-helix	trans	-74.8	-16.9	-172	-87.4	-179.2	3.8	0	0	112.8	F915 G917 P918 F922 H924	F915-Q920 HydrophobicContact CB-CB 3.9Å; F915-Q920 HydrophobicContact CD1-CB 4.03Å; F915-Q920 WeakPolarHBondContact CD1-O 3.43Å; F915-Q920 HydrophobicContact CG-CB 4.47Å; G917-Q920 PolarHBondContact O-N 3.02Å; G917-Q920 VanDerWaalsContact O-N 3.07Å; P918-Q920 VanDerWaalsContact C-N 3.27Å; P918-Q920 PolarHBondContact O-N 3.4Å; Q920-F922 VanDerWaalsContact C-N 3.35Å; Q920-H924 WeakPolarHBondContact O-CB 3.46Å; Q920-H924 PolarHBondContact O-CD2 2.97Å
921	L	24.8	Very low	24.7	Very low	57 Å²	57	76.9 Å²	76.9	30%	0.298	42%	0.419	S	S	.	.	H	α-helix	trans	-85	-9.3	173.5	-130.9	159.1	0	0	0	112.6	P894 F915 P918 W919	P894-L921 HydrophobicContact CB-CD1 3.78Å; P894-L921 HydrophobicContact CG-CD1 3.88Å; F915-L921 HydrophobicContact CD1-CB 4.37Å; F915-L921 HydrophobicContact CD1-CG 4.18Å; F915-L921 HydrophobicContact CD2-CB 4.5Å; F915-L921 HydrophobicContact CD2-CD1 3.57Å; F915-L921 HydrophobicContact CD2-CG 3.76Å; F915-L921 HydrophobicContact CE1-CG 4.23Å; F915-L921 HydrophobicContact CE2-CD1 3.84Å; F915-L921 HydrophobicContact CE2-CG 3.82Å; F915-L921 HydrophobicContact CG-CB 4.23Å; F915-L921 HydrophobicContact CG-CD1 4.1Å; F915-L921 HydrophobicContact CG-CG 3.95Å; F915-L921 HydrophobicContact CZ-CG 4.05Å; P918-L921 PolarHBondContact O-N 3.45Å; W919-L921 VanDerWaalsContact C-N 3.27Å; W919-L921 PolarHBondContact O-N 3.28Å
922	F	24.7	Very low	24.5	Very low	87 Å²	87	77.5 Å²	77.5	38%	0.382	43%	0.433	S	S	.	.	H	α-helix	trans	-91.2	-28.2	175.6	-80.3	-89.3	0	0	0	113.7	W919 Q920 R960	W919-F922 PolarHBondContact O-N 2.8Å; W919-F922 VanDerWaalsContact O-N 3.08Å; Q920-F922 VanDerWaalsContact C-N 3.35Å; F922-R960 HydrophobicContact CD1-CG 4.26Å; F922-R960 HydrophobicContact CE1-CG 4.42Å
923	D	25.2	Very low	24.4	Very low	91 Å²	91	81 Å²	81	49%	0.487	44%	0.441	S	S	.	.	H	α-helix	trans	-94.3	-22.8	-179	-75.9	-22.7	0	0	0	114.4
924	H	25.6	Very low	24.2	Very low	87 Å²	87	89.4 Å²	89.4	40%	0.403	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	11.8	-163.9	-66.6	-22.2	0	0	0	117.1	F915 Q920	F915-H924 HydrophobicContact CE1-CB 4.18Å; Q920-H924 WeakPolarHBondContact O-CB 3.46Å; Q920-H924 PolarHBondContact O-CD2 2.97Å
925	C	23	Very low	24.1	Very low	69 Å²	69	93.6 Å²	93.6	47%	0.466	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	13.8	-177.5	-60.5	0	0	0	0	116	H927 F961	C925-H927 PolarHBondContact O-N 3.26Å; C925-H927 VanDerWaalsContact O-N 3.14Å; C925-F961 VanDerWaalsContact C-CE1 3.42Å; C925-F961 HydrophobicContact CB-CE1 3.84Å; C925-F961 HydrophobicContact CB-CE2 4Å; C925-F961 HydrophobicContact CB-CZ 3.56Å; C925-F961 WeakPolarHBondContact O-CE1 3.39Å
926	A	24.2	Very low	24	Very low	50 Å²	50	103.5 Å²	103.5	41%	0.413	52%	0.521	S	S	.	.			trans	-87.3	69.5	-175.5	0	0	0	0	0	113.8	W806 Y928 F961	W806-A926 PolarHBondContact NE1-O 3.47Å; W806-A926 VanDerWaalsContact NE1-O 3.17Å; A926-Y928 PolarHBondContact O-N 3.13Å; A926-F961 HydrophobicContact CB-CE1 4.1Å
927	H	24.3	Very low	23.9	Very low	133 Å²	133	105.2 Å²	105.2	62%	0.616	54%	0.538	S	S	*	.			trans	-77.4	115.3	174.1	-174.9	32.8	0	0	0	111.6	W799 C925	W799-H927 AromaticContact CH2-CE1 3.62Å; C925-H927 PolarHBondContact O-N 3.26Å; C925-H927 VanDerWaalsContact O-N 3.14Å
928	Y	23.4	Very low	23.9	Very low	126 Å²	126	110.3 Å²	110.3	49%	0.494	57%	0.572	S	S	.	*			trans	-110.7	120.3	178.3	-152.8	-105.6	0	0	0	110.2	A926 T930 L964	A926-Y928 PolarHBondContact O-N 3.13Å; Y928-T930 HydrophobicContact CD1-CG2 3.47Å; Y928-T930 VanDerWaalsContact CD1-CG2 3.47Å; Y928-T930 HydrophobicContact CE1-CG2 3.43Å; Y928-T930 VanDerWaalsContact CE1-CG2 3.43Å; Y928-L964 HydrophobicContact CE2-CD1 3.98Å
929	S	23.5	Very low	23.9	Very low	108 Å²	108	112.9 Å²	112.9	76%	0.755	59%	0.591	S	S	*	*			trans	-93.9	97.1	-178.3	-179.9	0	0	0	0	111.4
930	T	22.7	Very low	23.8	Very low	64 Å²	64	113.9 Å²	113.9	39%	0.393	60%	0.599	S	S	.	*			trans	-117.3	80.1	-177.5	29	0	0	0	0	114.2	N805 Y928	N805-T930 PolarHBondContact OD1-OG1 3.4Å; Y928-T930 HydrophobicContact CD1-CG2 3.47Å; Y928-T930 VanDerWaalsContact CD1-CG2 3.47Å; Y928-T930 HydrophobicContact CE1-CG2 3.43Å; Y928-T930 VanDerWaalsContact CE1-CG2 3.43Å
931	R	22.6	Very low	23.6	Very low	154 Å²	154	114.9 Å²	114.9	58%	0.581	62%	0.616	S	S	*	*			trans	-169	144.5	156.4	-110.1	161.4	175.2	-165.4	-3.4	111.3	E810	E810-R931 IonicContact OE1-CZ 3.27Å; E810-R931 IonicContact OE1-NH1 2.76Å; E810-R931 PolarHBondContact OE1-NH1 3.03Å; E810-R931 IonicContact OE1-NH2 2.93Å; E810-R931 PolarHBondContact OE1-NH2 3Å
932	C	23	Very low	23.6	Very low	111 Å²	111	116.4 Å²	116.4	75%	0.75	63%	0.629	S	S	*	*			trans	52	129.7	162.5	-49.7	0	0	0	0	117.7
933	D	24.3	Very low	23.6	Very low	142 Å²	142	119 Å²	119	76%	0.759	64%	0.644	S	S	*	*			cis	-143	159.7	20.9	-96	-51.8	0	0	0	113.2
934	R	23	Very low	23.7	Very low	243 Å²	243	120.1 Å²	120.1	92%	0.917	65%	0.646	S	S	*	*	S	Bend	trans	-112.6	1	-177.8	-120.6	-177.3	-171.7	-175.8	2.1	115.1
935	L	23.8	Very low	23.7	Very low	150 Å²	150	120.3 Å²	120.3	79%	0.785	65%	0.648	S	S	*	*	S	Bend	trans	-139.1	-19	-162.8	-84.8	164.7	0	0	0	117.3
936	Y	22.5	Very low	23.9	Very low	216 Å²	216	123 Å²	123	85%	0.847	66%	0.657	S	S	*	*	S	Bend	trans	-134.2	164.3	-179.8	-76.6	-81.6	0	0	0	112.3
937	G	21.7	Very low	23.9	Very low	67 Å²	67	124.7 Å²	124.7	69%	0.691	67%	0.67	S	S	*	*			trans	-82.4	163.7	-155.2	0	0	0	0	0	117.6
938	S	23	Very low	24	Very low	121 Å²	121	126.3 Å²	126.3	85%	0.846	68%	0.678	S	S	*	*			trans	58.7	89	162.8	57.4	0	0	0	0	118.7
939	S	23.7	Very low	24	Very low	118 Å²	118	126.5 Å²	126.5	83%	0.825	68%	0.682	S	S	*	*			trans	-115.9	53	152.1	50.6	0	0	0	0	110.7	A941	S939-A941 PolarHBondContact O-N 3.06Å
940	K	24.5	Very low	24	Very low	151 Å²	151	125.4 Å²	125.4	66%	0.657	69%	0.687	S	S	*	*			trans	-76.9	28.3	-172.2	-151.2	174	-173.6	-81.1	0	114.3	E944	K940-E944 IonicContact NZ-OE1 3.73Å; K940-E944 PolarHBondContact NZ-OE1 3.5Å; K940-E944 IonicContact NZ-OE2 3.33Å; K940-E944 PolarHBondContact NZ-OE2 2.95Å
941	A	22.7	Very low	24	Very low	68 Å²	68	127.5 Å²	127.5	56%	0.562	70%	0.7	S	S	*	*			trans	-148.8	137.5	175.2	0	0	0	0	0	108	S939	S939-A941 PolarHBondContact O-N 3.06Å
942	P	25.2	Very low	24.1	Very low	89 Å²	89	126.3 Å²	126.3	58%	0.578	70%	0.704	S	S	*	*	S	Bend	cis	-112.5	3.1	22	12.4	10.3	0	0	0	115.6	E944 M945	P942-E944 VanDerWaalsContact C-N 3.33Å; P942-E944 PolarHBondContact O-N 3.43Å; P942-M945 WeakPolarHBondContact O-CB 3.38Å; P942-M945 PolarHBondContact O-N 3.28Å
943	M	24.5	Very low	24.1	Very low	141 Å²	141	125.4 Å²	125.4	70%	0.695	70%	0.695	S	S	*	*	H	α-helix	trans	-59.6	-34	-168.4	-74.2	-179.3	169.2	0	0	115	M945	M943-M945 PolarHBondContact O-N 2.72Å
944	E	26.2	Very low	24	Very low	114 Å²	114	126 Å²	126	53%	0.533	69%	0.693	S	S	.	*	H	α-helix	trans	-70.8	-14.6	175.5	-69.5	-178.2	152.5	0	0	113.5	K940 P942	K940-E944 IonicContact NZ-OE1 3.73Å; K940-E944 PolarHBondContact NZ-OE1 3.5Å; K940-E944 IonicContact NZ-OE2 3.33Å; K940-E944 PolarHBondContact NZ-OE2 2.95Å; P942-E944 VanDerWaalsContact C-N 3.33Å; P942-E944 PolarHBondContact O-N 3.43Å
945	M	25.8	Very low	23.9	Very low	92 Å²	92	120 Å²	120	45%	0.453	69%	0.686	S	S	.	*	H	α-helix	trans	-89.8	-24.7	-176.8	-62.3	-166.8	63.4	0	0	114.2	R828 P942 M943 A947 F949	R828-M945 HydrophobicContact CG-CE 3.84Å; P942-M945 WeakPolarHBondContact O-CB 3.38Å; P942-M945 PolarHBondContact O-N 3.28Å; M943-M945 PolarHBondContact O-N 2.72Å; M945-A947 VanDerWaalsContact C-N 3.27Å; M945-A947 PolarHBondContact O-N 2.96Å; M945-F949 WeakPolarHBondContact O-CD2 3.43Å; M945-F949 WeakPolarHBondContact O-CE2 3.46Å
946	I	26.9	Very low	23.8	Very low	125 Å²	125	119 Å²	119	64%	0.641	68%	0.68	S	S	*	*	H	α-helix	trans	-71.5	-27.6	177	-62.4	173.1	0	0	0	110.7	H948 F949	I946-H948 PolarHBondContact O-N 3.39Å; I946-F949 PolarHBondContact O-N 3.37Å
947	A	25.3	Very low	23.8	Very low	85 Å²	85	112.7 Å²	112.7	70%	0.702	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-1	-176.3	0	0	0	0	0	116.1	M945	M945-A947 VanDerWaalsContact C-N 3.27Å; M945-A947 PolarHBondContact O-N 2.96Å
948	H	24.8	Very low	23.8	Very low	167 Å²	167	114.7 Å²	114.7	77%	0.773	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-3.5	178.2	-75.9	58.2	0	0	0	114	I946	I946-H948 PolarHBondContact O-N 3.39Å
949	F	24.9	Very low	23.8	Very low	130 Å²	130	112 Å²	112	57%	0.57	65%	0.647	S	S	*	*			trans	-102.4	83.8	-176.4	-66.1	-84.1	0	0	0	112.1	F831 M945 I946 V951	F831-F949 HydrophobicContact CD1-CE1 4.36Å; F831-F949 AromaticContact CE1-CE1 3.94Å; F831-F949 HydrophobicContact CE1-CE1 3.94Å; M945-F949 WeakPolarHBondContact O-CD2 3.43Å; M945-F949 WeakPolarHBondContact O-CE2 3.46Å; I946-F949 PolarHBondContact O-N 3.37Å; F949-V951 PolarHBondContact O-N 2.7Å
950	G	22.2	Very low	23.8	Very low	85 Å²	85	112.9 Å²	112.9	88%	0.876	63%	0.632	S	S	*	*			trans	-71	92.7	179.2	0	0	0	0	0	113.4
951	V	23.7	Very low	23.7	Very low	108 Å²	108	110.3 Å²	110.3	66%	0.655	62%	0.621	S	S	*	*			trans	-124.3	133.4	175.3	-177.6	0	0	0	0	109.5	F949	F949-V951 PolarHBondContact O-N 2.7Å
952	L	23.5	Very low	23.8	Very low	129 Å²	129	112.5 Å²	112.5	68%	0.675	63%	0.627	S	S	*	*			trans	-121.2	134.7	-173.7	-156.2	153.9	0	0	0	109.6
953	V	24.2	Very low	23.8	Very low	92 Å²	92	116.6 Å²	116.6	56%	0.558	64%	0.639	S	S	*	*			trans	-108.3	139	-171.5	-179.7	0	0	0	0	110.9
954	H	22.1	Very low	23.8	Very low	154 Å²	154	115.9 Å²	115.9	71%	0.713	64%	0.637	S	S	*	*			trans	-63.4	142.5	-174.5	-163.1	-94.9	0	0	0	112.7	I956	H954-I956 VanDerWaalsContact C-N 3.29Å; H954-I956 PolarHBondContact O-N 3.28Å
955	P	21.5	Very low	23.7	Very low	118 Å²	118	113.7 Å²	113.7	77%	0.766	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	11.1	-148.5	-21.2	35.7	0	0	0	118.6
956	I	20.9	Very low	23.6	Very low	129 Å²	129	115.8 Å²	115.8	66%	0.662	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-25.8	-163	-59.4	179.9	0	0	0	113.7	H954	H954-I956 VanDerWaalsContact C-N 3.29Å; H954-I956 PolarHBondContact O-N 3.28Å
957	C	22.6	Very low	23.4	Very low	83 Å²	83	114.3 Å²	114.3	56%	0.561	66%	0.658	S	S	*	*			trans	-159	113	175.6	-139.6	0	0	0	0	113.2
958	P	21.8	Very low	23.5	Very low	109 Å²	109	116 Å²	116	71%	0.708	66%	0.66	S	S	*	*			trans	-73.4	133.8	176.1	-16.7	31	0	0	0	112.7
959	P	22.8	Very low	23.3	Very low	65 Å²	65	112.3 Å²	112.3	42%	0.422	65%	0.652	S	S	.	*			trans	-62	141.3	167.7	-21.6	33.5	0	0	0	111.7	F961	P959-F961 HydrophobicContact CB-CD2 4.19Å; P959-F961 PolarHBondContact O-N 2.85Å
960	R	22.9	Very low	23.2	Very low	136 Å²	136	112.2 Å²	112.2	51%	0.513	66%	0.657	S	S	.	*	G	3₁₀ helix	trans	-65.9	-2.1	-176.8	-82	-174.2	167.3	172.2	-4.3	115.7	F922 V962	F922-R960 HydrophobicContact CD1-CG 4.26Å; F922-R960 HydrophobicContact CE1-CG 4.42Å; R960-V962 VanDerWaalsContact C-N 3.31Å; R960-V962 PolarHBondContact O-N 3.08Å
961	F	23.9	Very low	23.3	Very low	97 Å²	97	113.1 Å²	113.1	43%	0.425	65%	0.65	S	S	.	*	G	3₁₀ helix	trans	-85.6	7.8	-174	-55	-64.8	0	0	0	115	C925 A926 P959	C925-F961 VanDerWaalsContact C-CE1 3.42Å; C925-F961 HydrophobicContact CB-CE1 3.84Å; C925-F961 HydrophobicContact CB-CE2 4Å; C925-F961 HydrophobicContact CB-CZ 3.56Å; C925-F961 WeakPolarHBondContact O-CE1 3.39Å; A926-F961 HydrophobicContact CB-CE1 4.1Å; P959-F961 HydrophobicContact CB-CD2 4.19Å; P959-F961 PolarHBondContact O-N 2.85Å
962	V	24.2	Very low	23.3	Very low	115 Å²	115	110.1 Å²	110.1	70%	0.697	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-114.1	-10.8	-171.4	-168	0	0	0	0	113.7	R960 L964	R960-V962 VanDerWaalsContact C-N 3.31Å; R960-V962 PolarHBondContact O-N 3.08Å; V962-L964 PolarHBondContact O-N 3.25Å
963	Q	25	Very low	23.3	Very low	174 Å²	174	108.6 Å²	108.6	81%	0.813	63%	0.629	S	S	*	*			trans	-92.4	55.1	-174.6	-72.9	-168.5	-42.4	0	0	114.7
964	L	23.6	Very low	23.3	Very low	127 Å²	127	108.1 Å²	108.1	67%	0.665	62%	0.617	S	S	*	*			trans	-157	57.7	166.7	-125.9	167.2	0	0	0	115.3	Y928 V962	Y928-L964 HydrophobicContact CE2-CD1 3.98Å; V962-L964 PolarHBondContact O-N 3.25Å
965	C	24.4	Very low	23.4	Very low	68 Å²	68	104.5 Å²	104.5	46%	0.459	60%	0.602	S	S	.	*			trans	-149.7	101.6	162	-96.3	0	0	0	0	111.2	S967 V968	C965-S967 PolarHBondContact O-N 3.3Å; C965-V968 HydrophobicContact CB-CG2 4.49Å
966	S	24.4	Very low	23.6	Very low	136 Å²	136	103.7 Å²	103.7	95%	0.951	59%	0.591	S	S	*	*	S	Bend	trans	-78.7	29.5	177.8	43.9	0	0	0	0	113.7
967	S	23.2	Very low	23.7	Very low	94 Å²	94	100.6 Å²	100.6	66%	0.657	58%	0.579	S	S	*	*			trans	-154.8	41.2	-164.3	54.2	0	0	0	0	114.5	C965	C965-S967 PolarHBondContact O-N 3.3Å
968	V	26.4	Very low	23.9	Very low	121 Å²	121	101.5 Å²	101.5	73%	0.733	58%	0.581	S	S	*	*			trans	-106.5	105.6	168	-174.4	0	0	0	0	109.7	C965	C965-V968 HydrophobicContact CB-CG2 4.49Å
969	S	21.8	Very low	24.1	Very low	88 Å²	88	99.1 Å²	99.1	62%	0.615	56%	0.564	S	S	*	*			trans	-98.1	143.1	167.6	-63.6	0	0	0	0	109.3
970	L	21.9	Very low	24.2	Very low	129 Å²	129	100.6 Å²	100.6	68%	0.675	58%	0.576	S	S	*	*			trans	75.1	106.1	-179.9	-50.8	158.2	0	0	0	115.3	A997	L970-A997 HydrophobicContact CD2-CB 3.83Å
971	S	24.1	Very low	24.4	Very low	104 Å²	104	100.2 Å²	100.2	73%	0.727	58%	0.58	S	S	*	*			trans	-166.7	163.8	147.8	-85.2	0	0	0	0	109.6
972	A	23.8	Very low	24.6	Very low	45 Å²	45	98.5 Å²	98.5	37%	0.372	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	142.3	-174.8	0	0	0	0	0	112.5
973	L	23.8	Very low	24.7	Very low	97 Å²	97	99.4 Å²	99.4	51%	0.508	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80	142.3	173.1	-178.7	71.6	0	0	0	109.9	I975 C993 V994	L973-I975 HydrophobicContact CD2-CD1 3.83Å; L973-I975 HydrophobicContact CD2-CG1 3.68Å; L973-I975 HydrophobicContact CG-CG1 3.97Å; L973-C993 CarbonylContact O-C 3.49Å; L973-C993 WeakPolarHBondContact O-CA 3.5Å; L973-V994 HydrophobicContact CB-CB 4.25Å; L973-V994 HydrophobicContact CD2-CB 4.47Å; L973-V994 PolarHBondContact N-O 3.45Å; L973-V994 PolarHBondContact O-N 2.77Å
974	W	24.8	Very low	24.8	Very low	81 Å²	81	97 Å²	97	31%	0.307	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.9	126.7	163.5	-73.4	89	0	0	0	109.1	R866 R867 S991 D992 C993	R866-W974 WeakPolarHBondContact O-CH2 3.27Å; R866-W974 WeakPolarHBondContact O-CZ2 3.5Å; R867-W974 HydrophobicContact CB-CH2 4.19Å; R867-W974 HydrophobicContact CB-CZ3 3.97Å; R867-W974 HydrophobicContact CG-CH2 3.78Å; R867-W974 HydrophobicContact CG-CZ3 3.86Å; W974-S991 WeakPolarHBondContact CZ3-O 3.48Å; W974-D992 WeakPolarHBondContact CA-O 3.48Å; W974-C993 HydrophobicContact CD2-CB 4.25Å; W974-C993 HydrophobicContact CE3-CB 4.1Å; W974-C993 HydrophobicContact CH2-CB 3.5Å; W974-C993 VanDerWaalsContact CH2-CB 3.5Å; W974-C993 HydrophobicContact CZ2-CB 3.63Å; W974-C993 VanDerWaalsContact CZ2-SG 3.54Å; W974-C993 HydrophobicContact CZ3-CB 3.74Å
975	I	24.2	Very low	24.8	Very low	79 Å²	79	96.5 Å²	96.5	41%	0.405	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.9	107.9	175.2	-55.1	178	0	0	0	107.7	L973 T977 S991 D992 V994	L973-I975 HydrophobicContact CD2-CD1 3.83Å; L973-I975 HydrophobicContact CD2-CG1 3.68Å; L973-I975 HydrophobicContact CG-CG1 3.97Å; I975-T977 PolarHBondContact O-N 3.24Å; I975-S991 WeakPolarHBondContact O-CA 3.35Å; I975-D992 PolarHBondContact N-O 3.33Å; I975-D992 PolarHBondContact O-N 3.22Å; I975-V994 HydrophobicContact CD1-CG2 4.29Å
976	D	25.1	Very low	24.8	Very low	100 Å²	100	99 Å²	99	54%	0.535	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80	99.1	169.5	-73.4	-34.5	0	0	0	109.2	V989 S991	D976-V989 HydrophobicContact CB-CG1 3.87Å; D976-S991 WeakPolarHBondContact OD1-CB 3.15Å; D976-S991 PolarHBondContact OD1-OG 2.97Å
977	T	24.2	Very low	24.9	Very low	65 Å²	65	96.8 Å²	96.8	40%	0.399	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.5	118.9	177.8	-46.6	0	0	0	0	109.2	I975 V979 V989 T990	I975-T977 PolarHBondContact O-N 3.24Å; T977-V979 HydrophobicContact CG2-CG2 4Å; T977-V989 WeakPolarHBondContact O-CA 3.19Å; T977-T990 PolarHBondContact N-O 3.26Å; T977-T990 PolarHBondContact O-N 3.43Å; T977-T990 PolarHBondContact O-OG1 3.4Å
978	V	25.6	Very low	25	Very low	101 Å²	101	96.5 Å²	96.5	61%	0.612	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.5	103.3	-179.8	-176.1	0	0	0	0	109	T987 V989	V978-T987 HydrophobicContact CG1-CG2 3.4Å; V978-V989 HydrophobicContact CG2-CG2 4.41Å
979	V	25.9	Very low	25.1	Very low	59 Å²	59	94 Å²	94	36%	0.358	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105	124.5	-178.3	-172.3	0	0	0	0	109.6	T977 E981 E988	T977-V979 HydrophobicContact CG2-CG2 4Å; V979-E981 HydrophobicContact CG1-CG 4.21Å; V979-E988 PolarHBondContact N-O 2.67Å; V979-E988 PolarHBondContact O-N 2.74Å
980	S	25.9	Very low	25.2	Very low	97 Å²	97	92.4 Å²	92.4	68%	0.678	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	100.7	171.4	-173.6	0	0	0	0	108.6
981	E	26.2	Very low	25.4	Very low	127 Å²	127	87.3 Å²	87.3	59%	0.593	52%	0.519	S	S	*	.			trans	-78.9	156.4	177.8	-73.4	-141.2	135.6	0	0	112	V979 Q986	V979-E981 HydrophobicContact CG1-CG 4.21Å; E981-Q986 PolarHBondContact N-O 3.31Å
982	G	27.6	Very low	25.4	Very low	61 Å²	61	87.6 Å²	87.6	63%	0.629	51%	0.513	S	S	*	.	S	Bend	trans	-59.5	139.3	-158.9	0	0	0	0	0	116.2	N984	G982-N984 PolarHBondContact O-N 3.18Å
983	C	26	Very low	25.4	Very low	134 Å²	134	88.3 Å²	88.3	91%	0.905	51%	0.514	S	S	*	.	S	Bend	trans	61.8	-17.4	163.3	-62.8	0	0	0	0	119.1
984	N	27	Very low	25.5	Very low	123 Å²	123	86.6 Å²	86.6	66%	0.658	51%	0.508	S	S	*	.	S	Bend	trans	-112.3	14.2	-167.6	-69.3	-16.4	0	0	0	114.9	G982 Q986	G982-N984 PolarHBondContact O-N 3.18Å; N984-Q986 PolarHBondContact O-N 3.02Å; N984-Q986 VanDerWaalsContact O-N 3.13Å
985	C	24.2	Very low	25.4	Very low	117 Å²	117	86.7 Å²	86.7	79%	0.791	52%	0.52	S	S	*	.			trans	56.3	25.3	179.9	-60	0	0	0	0	115
986	Q	24.3	Very low	25.5	Very low	122 Å²	122	89.5 Å²	89.5	57%	0.57	54%	0.535	S	S	*	.			trans	-91.3	121.8	177.4	-71.8	-172.6	-23.2	0	0	111.1	E981 N984	E981-Q986 PolarHBondContact N-O 3.31Å; N984-Q986 PolarHBondContact O-N 3.02Å; N984-Q986 VanDerWaalsContact O-N 3.13Å
987	T	26.4	Very low	25.4	Very low	89 Å²	89	87.4 Å²	87.4	55%	0.546	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	103.5	175.9	-55.1	0	0	0	0	108.7	V978	V978-T987 HydrophobicContact CG1-CG2 3.4Å
988	E	25.7	Very low	25.5	Very low	88 Å²	88	90 Å²	90	41%	0.411	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	136	170.7	-165.9	172.4	-154.4	0	0	110.2	R870 V979 T990	R870-E988 IonicContact NH2-OE1 2.95Å; V979-E988 PolarHBondContact N-O 2.67Å; V979-E988 PolarHBondContact O-N 2.74Å; E988-T990 HydrophobicContact CG-CG2 4.05Å
989	V	27.7	Very low	25.3	Very low	69 Å²	69	96.1 Å²	96.1	42%	0.418	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.4	110.7	171.3	-174.7	0	0	0	0	108.2	D976 T977 V978	D976-V989 HydrophobicContact CB-CG1 3.87Å; T977-V989 WeakPolarHBondContact O-CA 3.19Å; V978-V989 HydrophobicContact CG2-CG2 4.41Å
990	T	25.2	Very low	25.2	Very low	54 Å²	54	98.2 Å²	98.2	33%	0.331	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.8	101.6	179.9	45.8	0	0	0	0	110.6	T977 E988	T977-T990 PolarHBondContact N-O 3.26Å; T977-T990 PolarHBondContact O-N 3.43Å; T977-T990 PolarHBondContact O-OG1 3.4Å; E988-T990 HydrophobicContact CG-CG2 4.05Å
991	S	26.2	Very low	25.1	Very low	22 Å²	22	104.4 Å²	104.4	15%	0.154	58%	0.584	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.4	107.8	178.6	-42.8	0	0	0	0	111.2	W974 I975 D976	W974-S991 WeakPolarHBondContact CZ3-O 3.48Å; I975-S991 WeakPolarHBondContact O-CA 3.35Å; D976-S991 WeakPolarHBondContact OD1-CB 3.15Å; D976-S991 PolarHBondContact OD1-OG 2.97Å
992	D	23.3	Very low	24.9	Very low	110 Å²	110	105.1 Å²	105.1	59%	0.588	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.1	147.7	179.9	-130	-22	0	0	0	113.9	W974 I975	W974-D992 WeakPolarHBondContact CA-O 3.48Å; I975-D992 PolarHBondContact N-O 3.33Å; I975-D992 PolarHBondContact O-N 3.22Å
993	C	24.5	Very low	24.6	Very low	60 Å²	60	108.8 Å²	108.8	41%	0.405	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.9	107.4	-165.1	-174.3	0	0	0	0	112.9	L973 W974	L973-C993 CarbonylContact O-C 3.49Å; L973-C993 WeakPolarHBondContact O-CA 3.5Å; W974-C993 HydrophobicContact CD2-CB 4.25Å; W974-C993 HydrophobicContact CE3-CB 4.1Å; W974-C993 HydrophobicContact CH2-CB 3.5Å; W974-C993 VanDerWaalsContact CH2-CB 3.5Å; W974-C993 HydrophobicContact CZ2-CB 3.63Å; W974-C993 VanDerWaalsContact CZ2-SG 3.54Å; W974-C993 HydrophobicContact CZ3-CB 3.74Å
994	V	24.7	Very low	24.5	Very low	61 Å²	61	106.9 Å²	106.9	37%	0.37	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.1	101	-178.9	-169.3	0	0	0	0	110	L973 I975 I996	L973-V994 HydrophobicContact CB-CB 4.25Å; L973-V994 HydrophobicContact CD2-CB 4.47Å; L973-V994 PolarHBondContact N-O 3.45Å; L973-V994 PolarHBondContact O-N 2.77Å; I975-V994 HydrophobicContact CD1-CG2 4.29Å; V994-I996 HydrophobicContact CG1-CD1 4.23Å; V994-I996 HydrophobicContact CG1-CG1 4.07Å
995	S	23.4	Very low	24.5	Very low	82 Å²	82	108.3 Å²	108.3	57%	0.573	60%	0.601	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.2	123.2	172.4	-170.7	0	0	0	0	110.4
996	I	26.2	Very low	24.5	Very low	138 Å²	138	107.1 Å²	107.1	71%	0.708	59%	0.594	S	S	*	*			trans	-120.9	103.2	175	-55.2	-177.6	0	0	0	108.8	V994	V994-I996 HydrophobicContact CG1-CD1 4.23Å; V994-I996 HydrophobicContact CG1-CG1 4.07Å
997	A	23.9	Very low	24.5	Very low	56 Å²	56	111.3 Å²	111.3	46%	0.463	61%	0.611	S	S	.	*			trans	-108.1	167.2	171	0	0	0	0	0	110.6	L970	L970-A997 HydrophobicContact CD2-CB 3.83Å
998	V	24.6	Very low	24.6	Very low	120 Å²	120	110.9 Å²	110.9	73%	0.727	62%	0.624	S	S	*	*	S	Bend	trans	-56.9	138.7	-174.6	-177.8	0	0	0	0	112.7
999	R	21.9	Very low	24.8	Very low	229 Å²	229	112.4 Å²	112.4	86%	0.864	64%	0.644	S	S	*	*	S	Bend	trans	-17.2	156.9	165.7	-52.3	171.7	173.9	179.1	-2.6	117
1000	P	24.8	Very low	24.8	Very low	103 Å²	103	124.1 Å²	124.1	67%	0.669	68%	0.681	S	S	*	*			cis	-129.6	154.9	-43.3	38.9	-26.1	0	0	0	111.7
1001	Y	22.6	Very low	24.8	Very low	227 Å²	227	127.7 Å²	127.7	89%	0.89	70%	0.698	S	S	*	*			trans	-179.8	129.4	157.9	-94.5	-69.3	0	0	0	105.5
1002	I	22.3	Very low	24.8	Very low	143 Å²	143	133.2 Å²	133.2	73%	0.733	73%	0.727	S	S	*	*			cis	70.7	113.9	32.5	-59.3	-178.6	0	0	0	113.3
1003	V	22.1	Very low	24.8	Very low	138 Å²	138	134.5 Å²	134.5	84%	0.836	74%	0.735	S	S	*	*			trans	62.8	88.3	179.6	-170.2	0	0	0	0	116.3
1004	A	23.5	Very low	24.9	Very low	94 Å²	94	138.9 Å²	138.9	78%	0.777	75%	0.754	S	S	*	*			trans	-144.1	81.7	152.1	0	0	0	0	0	111.2
1005	L	26.1	Very low	24.9	Very low	152 Å²	152	143.8 Å²	143.8	80%	0.796	78%	0.778	S	S	*	*			trans	50.6	92	148.9	-55.5	165	0	0	0	116.7
1006	S	23.9	Very low	25	Very low	92 Å²	92	147.9 Å²	147.9	64%	0.643	79%	0.792	S	S	*	*				61.8	123.5	62.1	93.5	0	0	0	0	115
1007	K	25.6	Very low	24.9	Very low	211 Å²	211	148.6 Å²	148.6	92%	0.917	80%	0.798	S	S	*	*			trans	70.2	127.4	-171.7	-46.1	166.8	-174.8	175.9	0	112.1
1008	G	27.8	Very low	24.9	Very low	80 Å²	80	155.7 Å²	155.7	83%	0.825	82%	0.823	S	S	*	*			cis	-174.2	178	-5.9	0	0	0	0	0	106.4
1009	S	29.7	Very low	25	Very low	119 Å²	119	158.7 Å²	158.7	83%	0.832	83%	0.831	S	S	*	*			cis	-162.5	157	2.8	53.5	0	0	0	0	106.6
1010	R	29.3	Very low	25.2	Very low	316 Å²	316	152.3 Å²	152.3	100%	1.192	83%	0.828	S	S	*	*			cis	-118	0	18	-70.2	174.8	167.8	167.2	-4.6	112.1

Retrieved 1,010 of 1,010 residues in 1670 ms (Link to these results)

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