A0A5K4FE88_SCHMA Loading...

DUF3883 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FE88, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 925 aa.

						>A0A5K4FE88_SCHMA|A0A5K4FE88
MKIKSEVKSLNHSISLMDSSSFQDTLNTDPELTFDDLPMPFKMLDKLLWNIFEETWNLIEAKEKHESEEFNFQQSCLQKLDVNVDIENIHIFTIVGQYLFRIFENQISAYDLNDLKLISEWNYLNGLNSCSVIRTFKTIQYDKNVILQLIINDSGQLSLVMFVEGLFIPIKQINLPSDSLLYHTLNGKISPCGKYFISLNEDSINSKIWLEVYRLPVDVWMKEILPIVQEFQNAKMSTSSMETSTTQEITVNLIERKLFYENQFQLSSPVLLGRIKYQVIPPSPACKSVTAALKQANDKANLLSYSNLGTHLFSDAIIETNQLAFIEHRNYPSCLTAIPKPQLDEKNSVSVQEFIESPESVKQISEPTTERSQPHSASSIKHQTRSTKSSKRKQPINREHKEKTTNGRNNNKKAEKMNATAETIDELSNKDNNDKSKKKKNKSNNKKQEIELDIETNLKDLIIDETDLVDNLFKKSQQNEEIRRQLLKDLNEVQPKCYPYFEFLPISLTSDSKQSEISSLTNLSYSGSICVYWSRSCYLFFYPLDKFSKTEEGVIEEVRYFGSEITYISVIYSSRSVNANETSIDDKENLPKKLDLINSRNNYLVIGLQSRLVIIKELQSGRYLPLFYTELGSLVDAGLSISAKYINLLTACYLNGNRHSNKDDLMLHKKFTFDIYNLDENQLTWKKTHIVGKKNFHCQAITILTVDDNFNVVVCLVSSKDLLIYSLDHQQNCLHHQQPVKQHIESDQSNQVVDADLDQFCQSSIQISLPNPYVINLNTGTVSLFPEVNEQWIDNVEFYNQLCLTSCSAKSSIQEVENDSHVNHEGKKEEKLNRRQGTYQLWIRGTKIEQQDESRIQSKLFRVDLEFKSLEINTDSSELNNEKNFKEIYSEPLQNYSNNLLMKRSRNEAVRRLSFQKVWEQLAAF
					

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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	37	Very low	32.9	Very low	240 Å²	240	157.7 Å²	157.7	100%	1.182	81%	0.805	S	S	*	*				0	122.1	0	-85	169.1	165.2	0	0	108.6	I3	M1-I3 PolarHBondContact O-N 3.14Å
2	K	33.2	Very low	32.6	Very low	211 Å²	211	157.9 Å²	157.9	92%	0.917	80%	0.799	S	S	*	*			trans	-78.8	108.7	177.1	-91.4	179.4	173.5	177.1	0	108.9	K4	K2-K4 PolarHBondContact O-N 2.79Å; K2-K4 VanDerWaalsContact O-N 3.14Å
3	I	34.1	Very low	32.5	Very low	164 Å²	164	154.1 Å²	154.1	84%	0.841	80%	0.796	S	S	*	*			trans	-71.7	103	173.7	-61.3	168.7	0	0	0	107	M1 S5	M1-I3 PolarHBondContact O-N 3.14Å; I3-S5 PolarHBondContact O-N 3.42Å
4	K	34.5	Very low	32.4	Very low	193 Å²	193	155 Å²	155	84%	0.839	80%	0.8	S	S	*	*			trans	-77.2	109	168.5	-82	-177.9	173.4	-178.3	0	107.4	K2 E6	K2-K4 PolarHBondContact O-N 2.79Å; K2-K4 VanDerWaalsContact O-N 3.14Å; K4-E6 PolarHBondContact O-N 2.88Å; K4-E6 VanDerWaalsContact O-N 3.15Å
5	S	34.2	Very low	32.4	Very low	102 Å²	102	150.6 Å²	150.6	71%	0.713	79%	0.789	S	S	*	*			trans	-71.8	96.3	168.1	53.6	0	0	0	0	109.2	I3 V7	I3-S5 PolarHBondContact O-N 3.42Å; S5-V7 PolarHBondContact O-N 2.72Å; S5-V7 VanDerWaalsContact O-N 3.15Å
6	E	31.1	Very low	32.3	Very low	163 Å²	163	152.1 Å²	152.1	76%	0.762	80%	0.796	S	S	*	*			trans	-71.4	100.1	165.2	-83.1	-175.7	166.6	0	0	108.9	K4 K8	K4-E6 PolarHBondContact O-N 2.88Å; K4-E6 VanDerWaalsContact O-N 3.15Å; E6-K8 VanDerWaalsContact C-N 3.34Å; E6-K8 PolarHBondContact O-N 3.18Å
7	V	31.8	Very low	32.2	Very low	132 Å²	132	151.8 Å²	151.8	80%	0.8	79%	0.792	S	S	*	*			trans	-72.7	91.2	166.6	-179.8	0	0	0	0	107.1	S5 S9	S5-V7 PolarHBondContact O-N 2.72Å; S5-V7 VanDerWaalsContact O-N 3.15Å; V7-S9 PolarHBondContact O-N 3.37Å; V7-S9 VanDerWaalsContact O-N 3.12Å
8	K	33.3	Very low	32.4	Very low	169 Å²	169	149.7 Å²	149.7	74%	0.735	78%	0.782	S	S	*	*			trans	-72.6	97.4	168.5	-78.7	-178.9	177.9	175.9	0	108.4	E6 L10	E6-K8 VanDerWaalsContact C-N 3.34Å; E6-K8 PolarHBondContact O-N 3.18Å; K8-L10 PolarHBondContact O-N 3.49Å; K8-L10 VanDerWaalsContact O-N 3.09Å
9	S	30.8	Very low	32.5	Very low	90 Å²	90	148.1 Å²	148.1	63%	0.629	78%	0.784	S	S	*	*			trans	-64.3	102.1	165.8	57	0	0	0	0	109.2	V7 N11	V7-S9 PolarHBondContact O-N 3.37Å; V7-S9 VanDerWaalsContact O-N 3.12Å; S9-N11 VanDerWaalsContact C-N 3.33Å; S9-N11 PolarHBondContact O-N 2.98Å
10	L	29.6	Very low	32.7	Very low	133 Å²	133	146 Å²	146	70%	0.696	78%	0.783	S	S	*	*			trans	-70	91	168.7	-102.6	80.1	0	0	0	108.8	K8 H12	K8-L10 PolarHBondContact O-N 3.49Å; K8-L10 VanDerWaalsContact O-N 3.09Å; L10-H12 PolarHBondContact O-N 3.4Å
11	N	31.8	Very low	32.9	Very low	138 Å²	138	143.7 Å²	143.7	74%	0.738	78%	0.778	S	S	*	*			trans	-77	93.4	164.2	-73.8	-21.9	0	0	0	108	S9 S13	S9-N11 VanDerWaalsContact C-N 3.33Å; S9-N11 PolarHBondContact O-N 2.98Å; N11-S13 PolarHBondContact O-N 3.02Å
12	H	30.2	Very low	32.8	Very low	160 Å²	160	141.1 Å²	141.1	74%	0.741	76%	0.76	S	S	*	*			trans	-74.1	85.2	163.1	-82.9	-61.4	0	0	0	108.8	L10 I14	L10-H12 PolarHBondContact O-N 3.4Å; H12-I14 PolarHBondContact O-N 2.98Å
13	S	31.1	Very low	32.8	Very low	108 Å²	108	139 Å²	139	76%	0.755	75%	0.754	S	S	*	*			trans	-67.5	106.6	161.3	49.5	0	0	0	0	108.3	N11 S15	N11-S13 PolarHBondContact O-N 3.02Å; S13-S15 PolarHBondContact O-N 2.95Å
14	I	30.6	Very low	33	Very low	167 Å²	167	138.8 Å²	138.8	86%	0.856	75%	0.754	S	S	*	*			trans	-66.1	99.5	172.7	-61.8	166.8	0	0	0	107	H12 L16	H12-I14 PolarHBondContact O-N 2.98Å; I14-L16 PolarHBondContact O-N 3.32Å
15	S	32.7	Very low	33.3	Very low	89 Å²	89	135.4 Å²	135.4	62%	0.622	75%	0.75	S	S	*	*			trans	-73.8	121.5	173.5	67.6	0	0	0	0	109.3	S13 M17	S13-S15 PolarHBondContact O-N 2.95Å; S15-M17 VanDerWaalsContact C-N 3.27Å; S15-M17 PolarHBondContact O-N 3.46Å
16	L	30.1	Very low	33.5	Very low	174 Å²	174	138 Å²	138	91%	0.911	76%	0.755	S	S	*	*			trans	-70	79.9	173.7	-144.7	112.7	0	0	0	108.8	I14	I14-L16 PolarHBondContact O-N 3.32Å
17	M	31.7	Very low	34	Very low	147 Å²	147	138.1 Å²	138.1	72%	0.724	76%	0.761	S	S	*	*			trans	-93.1	112.5	177.7	-84.8	-88.5	147.5	0	0	110.1	S15	S15-M17 VanDerWaalsContact C-N 3.27Å; S15-M17 PolarHBondContact O-N 3.46Å
18	D	34.9	Very low	34.6	Very low	115 Å²	115	136.2 Å²	136.2	62%	0.615	75%	0.75	S	S	*	*			trans	56.1	89.1	149.2	-59.5	-18.4	0	0	0	119.1	S20	D18-S20 PolarHBondContact O-N 3.34Å
19	S	34.7	Very low	35	Very low	118 Å²	118	132.4 Å²	132.4	83%	0.825	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	25.8	168.1	41.5	0	0	0	0	115.1
20	S	37.3	Very low	35.7	Very low	107 Å²	107	132.4 Å²	132.4	75%	0.748	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	-0.9	-175.7	56	0	0	0	0	115.4	D18	D18-S20 PolarHBondContact O-N 3.34Å
21	S	35.8	Very low	36.7	Very low	97 Å²	97	133.7 Å²	133.7	68%	0.678	74%	0.737	S	S	*	*	S	Bend	trans	-93.5	3.8	177.4	56.9	0	0	0	0	114.9	Q23	S21-Q23 PolarHBondContact O-N 2.93Å
22	F	34.7	Very low	37.5	Very low	187 Å²	187	132.5 Å²	132.5	82%	0.82	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	9.5	-167.8	-97.3	-80.2	0	0	0	117.1
23	Q	34.2	Very low	38.5	Very low	166 Å²	166	129 Å²	129	78%	0.776	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	-7.7	-173.1	-76.3	-154.8	-26.9	0	0	119.1	S21	S21-Q23 PolarHBondContact O-N 2.93Å
24	D	38.6	Very low	39.3	Very low	160 Å²	160	132.3 Å²	132.3	86%	0.856	72%	0.722	S	S	*	*	S	Bend	trans	-119.5	19.6	-169.2	-78.7	-22	0	0	0	117.6
25	T	40.7	Very low	40.3	Very low	122 Å²	122	131 Å²	131	75%	0.748	72%	0.716	S	S	*	*			trans	-126.9	60.3	167.6	49	0	0	0	0	111.9	N27	T25-N27 PolarHBondContact O-N 3.19Å
26	L	38.7	Very low	41.6	Very low	157 Å²	157	131.8 Å²	131.8	82%	0.822	71%	0.713	S	S	*	*			trans	-85.6	39.3	168.8	-81.7	167.2	0	0	0	112.4
27	N	41.6	Very low	43	Very low	165 Å²	165	128.4 Å²	128.4	88%	0.882	70%	0.696	S	S	*	*			trans	-131	26.4	-179.2	-89.5	-5.8	0	0	0	113.4	T25	T25-N27 PolarHBondContact O-N 3.19Å
28	T	44.3	Very low	44.8	Very low	92 Å²	92	125.5 Å²	125.5	56%	0.564	69%	0.688	S	S	*	*	S	Bend	trans	-91.7	121.9	176.3	-39	0	0	0	0	109.3	L32	T28-L32 HydrophobicContact CG2-CB 4.38Å; T28-L32 HydrophobicContact CG2-CD1 4.22Å
29	D	41.1	Very low	45.7	Very low	89 Å²	89	125.7 Å²	125.7	48%	0.476	69%	0.687	S	S	.	*			trans	-35.5	127.4	177.7	-167.8	-25.2	0	0	0	113.2	E31 L32	D29-E31 PolarHBondContact O-N 3.44Å; D29-E31 PolarHBondContact OD1-N 3.39Å; D29-L32 HydrophobicContact CB-CD1 4.28Å; D29-L32 WeakPolarHBondContact O-CB 3.36Å; D29-L32 PolarHBondContact O-N 3.33Å
30	P	46.6	Very low	46.7	Very low	89 Å²	89	123.7 Å²	123.7	58%	0.578	67%	0.671	S	S	*	*	H	α-helix	trans	-60.4	-22.9	179.3	23	-32.8	0	0	0	113.9	L32 T33 F34	P30-L32 VanDerWaalsContact C-N 3.3Å; P30-L32 PolarHBondContact O-N 2.87Å; P30-T33 PolarHBondContact O-N 2.94Å; P30-T33 VanDerWaalsContact O-N 3.16Å; P30-T33 PolarHBondContact O-OG1 3.48Å; P30-F34 WeakPolarHBondContact O-CD2 3.3Å
31	E	50	Low	48.1	Very low	160 Å²	160	123.8 Å²	123.8	75%	0.748	66%	0.658	S	S	*	*	H	α-helix	trans	-68	-30.5	173.8	-70.8	-161.4	164.5	0	0	112.4	D29 T33 F34	D29-E31 PolarHBondContact O-N 3.44Å; D29-E31 PolarHBondContact OD1-N 3.39Å; E31-T33 VanDerWaalsContact C-N 3.26Å; E31-T33 PolarHBondContact O-N 3.28Å; E31-F34 PolarHBondContact O-N 2.94Å
32	L	48.6	Very low	49.7	Very low	113 Å²	113	123.4 Å²	123.4	59%	0.592	64%	0.644	S	S	*	*	H	α-helix	trans	-71.3	-19.2	172.9	-86.8	157.3	0	0	0	112.9	T28 D29 P30 F34	T28-L32 HydrophobicContact CG2-CB 4.38Å; T28-L32 HydrophobicContact CG2-CD1 4.22Å; D29-L32 HydrophobicContact CB-CD1 4.28Å; D29-L32 WeakPolarHBondContact O-CB 3.36Å; D29-L32 PolarHBondContact O-N 3.33Å; P30-L32 VanDerWaalsContact C-N 3.3Å; P30-L32 PolarHBondContact O-N 2.87Å; L32-F34 VanDerWaalsContact C-N 3.31Å; L32-F34 PolarHBondContact O-N 2.96Å
33	T	50	Low	51.3	Low	87 Å²	87	120.3 Å²	120.3	53%	0.534	63%	0.634	S	S	.	*	H	α-helix	trans	-76.3	-18	178.2	61.8	0	0	0	0	113.7	P30 E31	P30-T33 PolarHBondContact O-N 2.94Å; P30-T33 VanDerWaalsContact O-N 3.16Å; P30-T33 PolarHBondContact O-OG1 3.48Å; E31-T33 VanDerWaalsContact C-N 3.26Å; E31-T33 PolarHBondContact O-N 3.28Å
34	F	48.7	Very low	53	Low	178 Å²	178	116.7 Å²	116.7	78%	0.781	62%	0.619	S	S	*	*	S	Bend	trans	-87.1	-14.6	179.9	-75.8	-76.8	0	0	0	114.3	P30 E31 L32	P30-F34 WeakPolarHBondContact O-CD2 3.3Å; E31-F34 PolarHBondContact O-N 2.94Å; L32-F34 VanDerWaalsContact C-N 3.31Å; L32-F34 PolarHBondContact O-N 2.96Å
35	D	50.8	Low	54.9	Low	139 Å²	139	113 Å²	113	74%	0.743	60%	0.6	S	S	*	*	S	Bend	trans	-92	-2.9	-178.9	-104.9	-11.9	0	0	0	114.2	L37	D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 3.39Å
36	D	60.5	Low	56.6	Low	105 Å²	105	114.4 Å²	114.4	56%	0.561	60%	0.595	S	S	*	*			trans	-79.1	78.7	174.1	-90	-31.6	0	0	0	110.7	P38 K42	D36-P38 VanDerWaalsContact O-N 3.15Å; D36-K42 VanDerWaalsContact CG-NZ 3.33Å; D36-K42 IonicContact OD1-NZ 2.81Å; D36-K42 PolarHBondContact OD1-NZ 2.99Å; D36-K42 IonicContact OD2-NZ 2.72Å
37	L	60.3	Low	58.6	Low	104 Å²	104	111.8 Å²	111.8	55%	0.545	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-47.2	124	171.5	-86.7	165.4	0	0	0	109.9	D35 F41 K42	D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 3.39Å; L37-F41 HydrophobicContact CB-CB 4Å; L37-F41 HydrophobicContact CD2-CB 4.43Å; L37-F41 HydrophobicContact CD2-CD2 4.27Å; L37-F41 HydrophobicContact CD2-CG 4.28Å; L37-K42 WeakPolarHBondContact O-CD 3.38Å; L37-K42 VanDerWaalsContact O-CE 3.29Å; L37-K42 WeakPolarHBondContact O-CE 3.41Å; L37-K42 WeakPolarHBondContact O-CG 3.31Å
38	P	68.8	Low	60.5	Low	86 Å²	86	108.1 Å²	108.1	56%	0.558	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-66.9	157	-174.9	24.3	-32.2	0	0	0	111.5	D36 F41	D36-P38 VanDerWaalsContact O-N 3.15Å; P38-F41 HydrophobicContact CG-CD2 4.46Å; P38-F41 WeakPolarHBondContact O-CB 3.35Å; P38-F41 WeakPolarHBondContact O-CD2 3.32Å; P38-F41 PolarHBondContact O-N 3.03Å
39	M	53.3	Low	62.4	Low	118 Å²	118	110.8 Å²	110.8	58%	0.581	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.2	132.9	160.7	-94.4	-77.9	118.3	0	0	108.9	K42 M43	M39-K42 HydrophobicContact CE-CB 3.68Å; M39-M43 HydrophobicContact CE-CB 3.42Å; M39-M43 VanDerWaalsContact CE-CB 3.42Å; M39-M43 HydrophobicContact CE-CG 3.9Å; M39-M43 HydrophobicContact SD-CB 3.99Å; M39-M43 HydrophobicContact SD-CG 4.28Å; M39-M43 HydrophobicContact SD-SD 4.32Å
40	P	56	Low	64.6	Low	76 Å²	76	111.7 Å²	111.7	49%	0.494	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	cis	-97.9	4	15.6	37	-35	0	0	0	115.5	K42 M43 L44	P40-K42 VanDerWaalsContact C-N 3.35Å; P40-K42 PolarHBondContact O-N 3.28Å; P40-M43 WeakPolarHBondContact O-CA 3.17Å; P40-M43 WeakPolarHBondContact O-CB 3.28Å; P40-M43 PolarHBondContact O-N 3.26Å; P40-L44 PolarHBondContact O-N 2.93Å
41	F	66.2	Low	66.5	Low	110 Å²	110	111.4 Å²	111.4	48%	0.482	56%	0.559	S	S	.	*	H	α-helix	trans	-59.4	-42.5	-175.6	-68.8	-77.1	0	0	0	112.3	L37 P38 M43 L44 D45	L37-F41 HydrophobicContact CB-CB 4Å; L37-F41 HydrophobicContact CD2-CB 4.43Å; L37-F41 HydrophobicContact CD2-CD2 4.27Å; L37-F41 HydrophobicContact CD2-CG 4.28Å; P38-F41 HydrophobicContact CG-CD2 4.46Å; P38-F41 WeakPolarHBondContact O-CB 3.35Å; P38-F41 WeakPolarHBondContact O-CD2 3.32Å; P38-F41 PolarHBondContact O-N 3.03Å; F41-M43 PolarHBondContact O-N 2.89Å; F41-M43 VanDerWaalsContact O-N 3.16Å; F41-L44 PolarHBondContact O-N 2.99Å; F41-L44 VanDerWaalsContact O-N 3.15Å; F41-D45 WeakPolarHBondContact O-CB 3.34Å; F41-D45 PolarHBondContact O-N 3Å
42	K	69.3	Low	68.4	Low	88 Å²	88	109.7 Å²	109.7	38%	0.383	55%	0.549	S	S	.	.	H	α-helix	trans	-58.7	-26.2	171.8	-76.5	178.1	179	-175.1	0	113.7	D36 L37 M39 P40 K46	D36-K42 VanDerWaalsContact CG-NZ 3.33Å; D36-K42 IonicContact OD1-NZ 2.81Å; D36-K42 PolarHBondContact OD1-NZ 2.99Å; D36-K42 IonicContact OD2-NZ 2.72Å; L37-K42 WeakPolarHBondContact O-CD 3.38Å; L37-K42 VanDerWaalsContact O-CE 3.29Å; L37-K42 WeakPolarHBondContact O-CE 3.41Å; L37-K42 WeakPolarHBondContact O-CG 3.31Å; M39-K42 HydrophobicContact CE-CB 3.68Å; P40-K42 VanDerWaalsContact C-N 3.35Å; P40-K42 PolarHBondContact O-N 3.28Å; K42-K46 WeakPolarHBondContact O-CB 3.46Å; K42-K46 WeakPolarHBondContact O-CG 3.24Å; K42-K46 PolarHBondContact O-N 3.18Å
43	M	69	Low	70.4	Confident	122 Å²	122	109.2 Å²	109.2	60%	0.601	54%	0.544	S	S	*	.	H	α-helix	trans	-78.8	-43.7	177.6	-135.9	179.8	74.8	0	0	110.2	M39 P40 F41 D45 K46 L47	M39-M43 HydrophobicContact CE-CB 3.42Å; M39-M43 VanDerWaalsContact CE-CB 3.42Å; M39-M43 HydrophobicContact CE-CG 3.9Å; M39-M43 HydrophobicContact SD-CB 3.99Å; M39-M43 HydrophobicContact SD-CG 4.28Å; M39-M43 HydrophobicContact SD-SD 4.32Å; P40-M43 WeakPolarHBondContact O-CA 3.17Å; P40-M43 WeakPolarHBondContact O-CB 3.28Å; P40-M43 PolarHBondContact O-N 3.26Å; F41-M43 PolarHBondContact O-N 2.89Å; F41-M43 VanDerWaalsContact O-N 3.16Å; M43-D45 VanDerWaalsContact C-N 3.34Å; M43-K46 PolarHBondContact O-N 2.92Å; M43-L47 WeakPolarHBondContact O-CB 3.48Å; M43-L47 PolarHBondContact O-N 2.69Å
44	L	70.7	Confident	72.3	Confident	90 Å²	90	111.4 Å²	111.4	47%	0.471	55%	0.548	S	S	.	.	H	α-helix	trans	-63	-42.4	175.3	-70	170.9	0	0	0	110.9	P40 F41 L47 L48	P40-L44 PolarHBondContact O-N 2.93Å; F41-L44 PolarHBondContact O-N 2.99Å; F41-L44 VanDerWaalsContact O-N 3.15Å; L44-L47 WeakPolarHBondContact O-CB 3.23Å; L44-L47 PolarHBondContact O-N 3.47Å; L44-L48 WeakPolarHBondContact O-CB 3.28Å; L44-L48 WeakPolarHBondContact O-CG 3.35Å; L44-L48 PolarHBondContact O-N 3.29Å
45	D	77.4	Confident	74.1	Confident	84 Å²	84	106.1 Å²	106.1	45%	0.449	53%	0.531	S	S	.	.	H	α-helix	trans	-62.2	-47.6	176.9	-170.5	55.8	0	0	0	111.3	F41 M43 L47 L48 W49	F41-D45 WeakPolarHBondContact O-CB 3.34Å; F41-D45 PolarHBondContact O-N 3Å; M43-D45 VanDerWaalsContact C-N 3.34Å; D45-L47 VanDerWaalsContact C-N 3.31Å; D45-L47 PolarHBondContact O-N 3.34Å; D45-L48 PolarHBondContact O-N 3.18Å; D45-W49 PolarHBondContact O-N 2.89Å; D45-W49 PolarHBondContact OD1-NE1 3.28Å
46	K	77.7	Confident	76	Confident	151 Å²	151	107.3 Å²	107.3	66%	0.657	53%	0.525	S	S	*	.	H	α-helix	trans	-59.7	-39	172.3	-78.7	-176.7	178.4	-173.7	0	113.3	K42 M43 N50	K42-K46 WeakPolarHBondContact O-CB 3.46Å; K42-K46 WeakPolarHBondContact O-CG 3.24Å; K42-K46 PolarHBondContact O-N 3.18Å; M43-K46 PolarHBondContact O-N 2.92Å; K46-N50 WeakPolarHBondContact O-CB 3.47Å; K46-N50 VanDerWaalsContact O-CG 3.26Å; K46-N50 PolarHBondContact O-N 2.8Å
47	L	80.6	Confident	77.3	Confident	102 Å²	102	106.2 Å²	106.2	53%	0.534	52%	0.519	S	S	.	.	H	α-helix	trans	-65.9	-44.7	177.6	-169.1	88.6	0	0	0	110.7	M43 L44 D45 N50 I51	M43-L47 WeakPolarHBondContact O-CB 3.48Å; M43-L47 PolarHBondContact O-N 2.69Å; L44-L47 WeakPolarHBondContact O-CB 3.23Å; L44-L47 PolarHBondContact O-N 3.47Å; D45-L47 VanDerWaalsContact C-N 3.31Å; D45-L47 PolarHBondContact O-N 3.34Å; L47-N50 PolarHBondContact O-N 2.88Å; L47-I51 HydrophobicContact CD2-CD1 4.29Å; L47-I51 HydrophobicContact CG-CD1 4.16Å; L47-I51 VanDerWaalsContact O-CG1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.32Å; L47-I51 PolarHBondContact O-N 3.46Å
48	L	79.8	Confident	78.4	Confident	88 Å²	88	106.8 Å²	106.8	46%	0.461	52%	0.522	S	S	.	.	H	α-helix	trans	-61	-48.7	176.8	-78.9	165.3	0	0	0	110.8	L44 D45 N50 I51 F52	L44-L48 WeakPolarHBondContact O-CB 3.28Å; L44-L48 WeakPolarHBondContact O-CG 3.35Å; L44-L48 PolarHBondContact O-N 3.29Å; D45-L48 PolarHBondContact O-N 3.18Å; L48-N50 VanDerWaalsContact C-N 3.32Å; L48-N50 PolarHBondContact O-N 3.46Å; L48-I51 PolarHBondContact O-N 3Å; L48-I51 VanDerWaalsContact O-N 3.13Å; L48-F52 HydrophobicContact CB-CD2 4.38Å; L48-F52 HydrophobicContact CB-CE2 4.23Å; L48-F52 HydrophobicContact CD2-CE2 4.38Å; L48-F52 WeakPolarHBondContact O-CD2 3.4Å; L48-F52 PolarHBondContact O-N 3.01Å
49	W	85.4	Confident	78.8	Confident	147 Å²	147	106.8 Å²	106.8	56%	0.557	52%	0.516	S	S	*	.	H	α-helix	trans	-59.7	-41.4	175.9	-79	113.6	0	0	0	112.5	D45 I51 F52 E53	D45-W49 PolarHBondContact O-N 2.89Å; D45-W49 PolarHBondContact OD1-NE1 3.28Å; W49-I51 VanDerWaalsContact C-N 3.35Å; W49-I51 PolarHBondContact O-N 3.34Å; W49-F52 PolarHBondContact O-N 3.32Å; W49-E53 WeakPolarHBondContact O-CB 3.45Å; W49-E53 WeakPolarHBondContact O-CG 3.42Å; W49-E53 PolarHBondContact O-N 2.9Å
50	N	86.7	Confident	80.2	Confident	109 Å²	109	104.6 Å²	104.6	58%	0.583	51%	0.505	S	S	*	.	H	α-helix	trans	-61.9	-41.4	174.2	-77.8	-8.9	0	0	0	112.3	K46 L47 L48 E54	K46-N50 WeakPolarHBondContact O-CB 3.47Å; K46-N50 VanDerWaalsContact O-CG 3.26Å; K46-N50 PolarHBondContact O-N 2.8Å; L47-N50 PolarHBondContact O-N 2.88Å; L48-N50 VanDerWaalsContact C-N 3.32Å; L48-N50 PolarHBondContact O-N 3.46Å; N50-E54 VanDerWaalsContact O-CB 3.31Å; N50-E54 WeakPolarHBondContact O-CB 3.24Å; N50-E54 PolarHBondContact O-N 2.95Å
51	I	87.5	Confident	81.3	Confident	82 Å²	82	103.8 Å²	103.8	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-66.1	-43.4	176.8	-67.6	164.1	0	0	0	110.5	L47 L48 W49 E54 T55	L47-I51 HydrophobicContact CD2-CD1 4.29Å; L47-I51 HydrophobicContact CG-CD1 4.16Å; L47-I51 VanDerWaalsContact O-CG1 3.29Å; L47-I51 WeakPolarHBondContact O-CG1 3.32Å; L47-I51 PolarHBondContact O-N 3.46Å; L48-I51 PolarHBondContact O-N 3Å; L48-I51 VanDerWaalsContact O-N 3.13Å; W49-I51 VanDerWaalsContact C-N 3.35Å; W49-I51 PolarHBondContact O-N 3.34Å; I51-E54 PolarHBondContact O-N 3.35Å; I51-T55 VanDerWaalsContact O-CB 3.31Å; I51-T55 WeakPolarHBondContact O-CB 3.32Å; I51-T55 PolarHBondContact O-N 2.92Å; I51-T55 PolarHBondContact O-OG1 3.38Å
52	F	89.9	Confident	81.6	Confident	124 Å²	124	105 Å²	105	54%	0.544	51%	0.509	S	S	.	.	H	α-helix	trans	-61.5	-46.6	177	-76.9	-58.3	0	0	0	111.4	L48 W49 T55 W56	L48-F52 HydrophobicContact CB-CD2 4.38Å; L48-F52 HydrophobicContact CB-CE2 4.23Å; L48-F52 HydrophobicContact CD2-CE2 4.38Å; L48-F52 WeakPolarHBondContact O-CD2 3.4Å; L48-F52 PolarHBondContact O-N 3.01Å; W49-F52 PolarHBondContact O-N 3.32Å; F52-T55 PolarHBondContact O-N 3.42Å; F52-W56 WeakPolarHBondContact O-CB 3.5Å; F52-W56 PolarHBondContact O-N 3.14Å
53	E	88.9	Confident	81.6	Confident	103 Å²	103	106.4 Å²	106.4	48%	0.481	52%	0.517	S	S	.	.	H	α-helix	trans	-62	-45.7	176	-76.5	-66.6	158.8	0	0	111.9	W49 T55 W56 N57	W49-E53 WeakPolarHBondContact O-CB 3.45Å; W49-E53 WeakPolarHBondContact O-CG 3.42Å; W49-E53 PolarHBondContact O-N 2.9Å; E53-T55 VanDerWaalsContact C-N 3.34Å; E53-T55 PolarHBondContact O-N 3.46Å; E53-W56 PolarHBondContact O-N 3.34Å; E53-N57 WeakPolarHBondContact O-CB 3.37Å; E53-N57 VanDerWaalsContact O-CG 3.29Å; E53-N57 PolarHBondContact O-N 3.49Å; E53-N57 PolarHBondContact O-ND2 2.62Å
54	E	89.9	Confident	81.7	Confident	133 Å²	133	105.8 Å²	105.8	62%	0.621	51%	0.511	S	S	*	.	H	α-helix	trans	-62.6	-42.8	178	-169.9	174.7	-175	0	0	111.5	N50 I51 N57 L58	N50-E54 VanDerWaalsContact O-CB 3.31Å; N50-E54 WeakPolarHBondContact O-CB 3.24Å; N50-E54 PolarHBondContact O-N 2.95Å; I51-E54 PolarHBondContact O-N 3.35Å; E54-N57 PolarHBondContact O-N 2.89Å; E54-L58 WeakPolarHBondContact O-CG 3.19Å; E54-L58 PolarHBondContact O-N 3.34Å
55	T	88	Confident	81.2	Confident	68 Å²	68	106.9 Å²	106.9	42%	0.417	51%	0.514	S	S	.	.	H	α-helix	trans	-67.5	-41.7	177.8	-48.9	0	0	0	0	111.2	I51 F52 E53 L58 I59	I51-T55 VanDerWaalsContact O-CB 3.31Å; I51-T55 WeakPolarHBondContact O-CB 3.32Å; I51-T55 PolarHBondContact O-N 2.92Å; I51-T55 PolarHBondContact O-OG1 3.38Å; F52-T55 PolarHBondContact O-N 3.42Å; E53-T55 VanDerWaalsContact C-N 3.34Å; E53-T55 PolarHBondContact O-N 3.46Å; T55-L58 PolarHBondContact O-N 3.48Å; T55-I59 HydrophobicContact CG2-CD1 4.25Å; T55-I59 VanDerWaalsContact O-CG1 3.32Å; T55-I59 WeakPolarHBondContact O-CG1 2.99Å; T55-I59 PolarHBondContact O-N 3.35Å
56	W	89.5	Confident	80.2	Confident	163 Å²	163	108.2 Å²	108.2	62%	0.617	52%	0.517	S	S	*	.	H	α-helix	trans	-63.6	-44.4	177.3	-172.2	-100.5	0	0	0	111.6	F52 E53 L58 I59 E60	F52-W56 WeakPolarHBondContact O-CB 3.5Å; F52-W56 PolarHBondContact O-N 3.14Å; E53-W56 PolarHBondContact O-N 3.34Å; W56-L58 VanDerWaalsContact C-N 3.3Å; W56-L58 PolarHBondContact O-N 3.09Å; W56-I59 PolarHBondContact O-N 2.63Å; W56-I59 VanDerWaalsContact O-N 3.15Å; W56-E60 WeakPolarHBondContact O-CB 3.37Å; W56-E60 PolarHBondContact O-N 2.79Å
57	N	88.1	Confident	79	Confident	83 Å²	83	103.5 Å²	103.5	44%	0.444	50%	0.503	S	S	.	.	H	α-helix	trans	-61.7	-36.8	175.1	-76.3	-56.9	0	0	0	112.3	E53 E54 A61	E53-N57 WeakPolarHBondContact O-CB 3.37Å; E53-N57 VanDerWaalsContact O-CG 3.29Å; E53-N57 PolarHBondContact O-N 3.49Å; E53-N57 PolarHBondContact O-ND2 2.62Å; E54-N57 PolarHBondContact O-N 2.89Å; N57-A61 WeakPolarHBondContact O-CB 3.36Å; N57-A61 PolarHBondContact O-N 3.21Å
58	L	83.2	Confident	77.8	Confident	116 Å²	116	104.9 Å²	104.9	61%	0.607	51%	0.507	S	S	*	.	H	α-helix	trans	-66.6	-41.1	173.6	-74.7	172.3	0	0	0	112.2	E54 T55 W56 K62	E54-L58 WeakPolarHBondContact O-CG 3.19Å; E54-L58 PolarHBondContact O-N 3.34Å; T55-L58 PolarHBondContact O-N 3.48Å; W56-L58 VanDerWaalsContact C-N 3.3Å; W56-L58 PolarHBondContact O-N 3.09Å; L58-K62 VanDerWaalsContact O-CB 3.28Å; L58-K62 WeakPolarHBondContact O-CB 3.32Å; L58-K62 PolarHBondContact O-N 3.25Å
59	I	77.8	Confident	76.1	Confident	85 Å²	85	105.4 Å²	105.4	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-49.6	175.3	-67.2	165.3	0	0	0	109.8	T55 W56 A61 K62 E63	T55-I59 HydrophobicContact CG2-CD1 4.25Å; T55-I59 VanDerWaalsContact O-CG1 3.32Å; T55-I59 WeakPolarHBondContact O-CG1 2.99Å; T55-I59 PolarHBondContact O-N 3.35Å; W56-I59 PolarHBondContact O-N 2.63Å; W56-I59 VanDerWaalsContact O-N 3.15Å; I59-A61 PolarHBondContact O-N 2.82Å; I59-K62 PolarHBondContact O-N 2.84Å; I59-K62 VanDerWaalsContact O-N 3.16Å; I59-E63 WeakPolarHBondContact O-CB 3.33Å; I59-E63 PolarHBondContact O-N 2.9Å
60	E	82.1	Confident	74	Confident	73 Å²	73	100.8 Å²	100.8	34%	0.341	49%	0.491	S	S	.	.	H	α-helix	trans	-63.6	-40.2	-179.5	-163	-167.3	168.6	0	0	112	W56 K62 E63 K64	W56-E60 WeakPolarHBondContact O-CB 3.37Å; W56-E60 PolarHBondContact O-N 2.79Å; E60-K62 VanDerWaalsContact C-N 3.34Å; E60-E63 PolarHBondContact O-N 3.41Å; E60-K64 WeakPolarHBondContact O-CB 3.38Å; E60-K64 WeakPolarHBondContact O-CG 3.43Å; E60-K64 PolarHBondContact O-N 2.87Å; E60-K64 WeakPolarHBondContact OE1-CE 3.31Å; E60-K64 IonicContact OE1-NZ 2.62Å; E60-K64 PolarHBondContact OE1-NZ 2.99Å
61	A	79.9	Confident	72	Confident	58 Å²	58	100 Å²	100	48%	0.479	49%	0.487	S	S	.	.	H	α-helix	trans	-64.6	-39.1	174.9	0	0	0	0	0	111.9	N57 I59 H65	N57-A61 WeakPolarHBondContact O-CB 3.36Å; N57-A61 PolarHBondContact O-N 3.21Å; I59-A61 PolarHBondContact O-N 2.82Å; A61-H65 PolarHBondContact O-N 3.09Å
62	K	72.3	Confident	69.8	Low	135 Å²	135	101 Å²	101	59%	0.587	49%	0.488	S	S	*	.	H	α-helix	trans	-68.1	-42.9	176.4	-170.3	-178.1	173.5	-170.9	0	111.3	L58 I59 E60 H65 E66	L58-K62 VanDerWaalsContact O-CB 3.28Å; L58-K62 WeakPolarHBondContact O-CB 3.32Å; L58-K62 PolarHBondContact O-N 3.25Å; I59-K62 PolarHBondContact O-N 2.84Å; I59-K62 VanDerWaalsContact O-N 3.16Å; E60-K62 VanDerWaalsContact C-N 3.34Å; K62-H65 PolarHBondContact O-N 3.47Å; K62-E66 VanDerWaalsContact CE-OE1 3.31Å; K62-E66 WeakPolarHBondContact CE-OE1 3.23Å; K62-E66 PolarHBondContact O-N 2.88Å
63	E	69.2	Low	67.4	Low	118 Å²	118	100 Å²	100	55%	0.551	49%	0.485	S	S	*	.	H	α-helix	trans	-66.1	-37.9	177	-171.6	175.5	-174.5	0	0	111.8	I59 E60 E66 S67	I59-E63 WeakPolarHBondContact O-CB 3.33Å; I59-E63 PolarHBondContact O-N 2.9Å; E60-E63 PolarHBondContact O-N 3.41Å; E63-E66 PolarHBondContact O-N 2.83Å; E63-S67 VanDerWaalsContact O-CB 3.24Å; E63-S67 WeakPolarHBondContact O-CB 3.37Å; E63-S67 PolarHBondContact O-N 3.11Å; E63-S67 PolarHBondContact O-OG 3.13Å
64	K	70.3	Confident	64.8	Low	109 Å²	109	96 Å²	96	47%	0.474	47%	0.466	S	S	.	.	H	α-helix	trans	-62.4	-44.4	171.2	-81.5	172.9	180	158.5	0	111.9	E60 S67 E68	E60-K64 WeakPolarHBondContact O-CB 3.38Å; E60-K64 WeakPolarHBondContact O-CG 3.43Å; E60-K64 PolarHBondContact O-N 2.87Å; E60-K64 WeakPolarHBondContact OE1-CE 3.31Å; E60-K64 IonicContact OE1-NZ 2.62Å; E60-K64 PolarHBondContact OE1-NZ 2.99Å; K64-S67 PolarHBondContact O-N 2.83Å; K64-E68 WeakPolarHBondContact O-CB 2.88Å; K64-E68 VanDerWaalsContact O-CG 3.3Å; K64-E68 WeakPolarHBondContact O-CG 3.4Å; K64-E68 PolarHBondContact O-N 3.4Å
65	H	60.4	Low	62.3	Low	113 Å²	113	91.8 Å²	91.8	52%	0.523	45%	0.452	S	S	.	.	H	α-helix	trans	-63.9	-44.2	176.4	-174.3	-72.9	0	0	0	111.9	A61 K62 S67 E68 E69	A61-H65 PolarHBondContact O-N 3.09Å; K62-H65 PolarHBondContact O-N 3.47Å; H65-S67 VanDerWaalsContact C-N 3.32Å; H65-S67 PolarHBondContact O-N 2.96Å; H65-E68 PolarHBondContact O-N 3.45Å; H65-E69 IonicContact CE1-OE2 2.71Å; H65-E69 IonicContact ND1-OE2 2.69Å; H65-E69 VanDerWaalsContact O-CB 3.31Å; H65-E69 WeakPolarHBondContact O-CB 2.95Å; H65-E69 PolarHBondContact O-N 2.91Å
66	E	57.5	Low	59.9	Low	112 Å²	112	88.9 Å²	88.9	52%	0.523	44%	0.435	S	S	.	.	H	α-helix	trans	-62.6	-39.2	175	-76.8	177.7	-174.4	0	0	111.3	K62 E63 F70	K62-E66 VanDerWaalsContact CE-OE1 3.31Å; K62-E66 WeakPolarHBondContact CE-OE1 3.23Å; K62-E66 PolarHBondContact O-N 2.88Å; E63-E66 PolarHBondContact O-N 2.83Å; E66-F70 WeakPolarHBondContact O-CB 3.3Å; E66-F70 PolarHBondContact O-N 3.25Å
67	S	51.5	Low	57.3	Low	52 Å²	52	82.2 Å²	82.2	36%	0.364	41%	0.411	S	S	.	.	H	α-helix	trans	-69.4	-35.7	175.6	-61.4	0	0	0	0	113.1	E63 K64 H65 N71	E63-S67 VanDerWaalsContact O-CB 3.24Å; E63-S67 WeakPolarHBondContact O-CB 3.37Å; E63-S67 PolarHBondContact O-N 3.11Å; E63-S67 PolarHBondContact O-OG 3.13Å; K64-S67 PolarHBondContact O-N 2.83Å; H65-S67 VanDerWaalsContact C-N 3.32Å; H65-S67 PolarHBondContact O-N 2.96Å; S67-N71 WeakPolarHBondContact O-CB 3.4Å; S67-N71 VanDerWaalsContact O-CG 3.28Å; S67-N71 PolarHBondContact O-N 3.1Å; S67-N71 PolarHBondContact O-ND2 3.1Å
68	E	54.8	Low	54.7	Low	132 Å²	132	82.7 Å²	82.7	62%	0.617	41%	0.41	S	S	*	.	H	α-helix	trans	-70.7	-44.4	175.1	-77.9	176.2	-173.5	0	0	111.2	K64 H65 F70 N71 F72	K64-E68 WeakPolarHBondContact O-CB 2.88Å; K64-E68 VanDerWaalsContact O-CG 3.3Å; K64-E68 WeakPolarHBondContact O-CG 3.4Å; K64-E68 PolarHBondContact O-N 3.4Å; H65-E68 PolarHBondContact O-N 3.45Å; E68-F70 VanDerWaalsContact C-N 3.26Å; E68-F70 PolarHBondContact O-N 3.36Å; E68-N71 PolarHBondContact O-N 3.05Å; E68-F72 WeakPolarHBondContact O-CB 3.32Å; E68-F72 PolarHBondContact O-N 2.93Å
69	E	44.3	Very low	52.5	Low	99 Å²	99	81.5 Å²	81.5	46%	0.463	40%	0.4	S	S	.	.	H	α-helix	trans	-61.7	-37.7	174.2	-167.5	169.3	-177	0	0	110.9	H65 F72 Q73	H65-E69 IonicContact CE1-OE2 2.71Å; H65-E69 IonicContact ND1-OE2 2.69Å; H65-E69 VanDerWaalsContact O-CB 3.31Å; H65-E69 WeakPolarHBondContact O-CB 2.95Å; H65-E69 PolarHBondContact O-N 2.91Å; E69-F72 WeakPolarHBondContact O-CB 3.26Å; E69-Q73 WeakPolarHBondContact O-CB 3.31Å; E69-Q73 VanDerWaalsContact O-CG 3.3Å; E69-Q73 WeakPolarHBondContact O-CG 3.31Å; E69-Q73 PolarHBondContact O-N 3.36Å
70	F	41.9	Very low	50.6	Low	50 Å²	50	77.7 Å²	77.7	22%	0.219	38%	0.381	C	S	.	.	H	α-helix	trans	-66.4	-51.7	172.3	175.3	-96.4	0	0	0	112.9	E66 E68 F72 Q73 Q74 P786 E787	E66-F70 WeakPolarHBondContact O-CB 3.3Å; E66-F70 PolarHBondContact O-N 3.25Å; E68-F70 VanDerWaalsContact C-N 3.26Å; E68-F70 PolarHBondContact O-N 3.36Å; F70-F72 PolarHBondContact O-N 3.04Å; F70-Q73 PolarHBondContact O-N 2.94Å; F70-Q74 WeakPolarHBondContact O-CB 3.36Å; F70-Q74 PolarHBondContact O-N 3.41Å; F70-P786 HydrophobicContact CD2-CG 4.36Å; F70-P786 HydrophobicContact CE2-CB 4.08Å; F70-P786 HydrophobicContact CE2-CG 4.1Å; F70-E787 HydrophobicContact CE2-CB 4.23Å; F70-E787 HydrophobicContact CZ-CB 3.66Å; F70-E787 WeakPolarHBondContact CZ-O 3.31Å
71	N	44.6	Very low	48.4	Very low	93 Å²	93	76.4 Å²	76.4	50%	0.497	38%	0.376	S	S	.	.	H	α-helix	trans	-59.4	-34.1	176	-80.1	-50.5	0	0	0	111.5	S67 E68 Q74 S75	S67-N71 WeakPolarHBondContact O-CB 3.4Å; S67-N71 VanDerWaalsContact O-CG 3.28Å; S67-N71 PolarHBondContact O-N 3.1Å; S67-N71 PolarHBondContact O-ND2 3.1Å; E68-N71 PolarHBondContact O-N 3.05Å; N71-Q74 WeakPolarHBondContact O-CB 3.38Å; N71-Q74 PolarHBondContact O-N 3.45Å; N71-S75 WeakPolarHBondContact O-CB 3.29Å; N71-S75 PolarHBondContact O-N 2.8Å; N71-S75 PolarHBondContact O-OG 3.32Å
72	F	42	Very low	46.4	Very low	102 Å²	102	79.3 Å²	79.3	45%	0.447	39%	0.388	S	S	.	.	H	α-helix	trans	-65.2	-55.1	174.1	-178.3	-103.3	0	0	0	111	E68 E69 F70 Q74 S75 C76 N113	E68-F72 WeakPolarHBondContact O-CB 3.32Å; E68-F72 PolarHBondContact O-N 2.93Å; E69-F72 WeakPolarHBondContact O-CB 3.26Å; F70-F72 PolarHBondContact O-N 3.04Å; F72-Q74 PolarHBondContact O-N 3.49Å; F72-S75 PolarHBondContact O-N 2.81Å; F72-S75 VanDerWaalsContact O-N 3.09Å; F72-S75 PolarHBondContact O-OG 3.07Å; F72-C76 PolarHBondContact O-N 3.21Å; F72-C76 PolarHBondContact O-SG 3.32Å; F72-N113 HydrophobicContact CE1-CB 4.43Å; F72-N113 WeakPolarHBondContact CE1-OD1 3.37Å; F72-N113 HydrophobicContact CE2-CB 4.45Å; F72-N113 HydrophobicContact CZ-CB 3.78Å; F72-N113 WeakPolarHBondContact CZ-OD1 3.24Å
73	Q	39.3	Very low	45	Very low	103 Å²	103	78 Å²	78	48%	0.481	39%	0.387	S	S	.	.	H	α-helix	trans	-54.2	-35.1	173.3	-74.6	176.1	-2.9	0	0	112.4	E69 F70 C76 L77	E69-Q73 WeakPolarHBondContact O-CB 3.31Å; E69-Q73 VanDerWaalsContact O-CG 3.3Å; E69-Q73 WeakPolarHBondContact O-CG 3.31Å; E69-Q73 PolarHBondContact O-N 3.36Å; F70-Q73 PolarHBondContact O-N 2.94Å; Q73-C76 VanDerWaalsContact O-CB 3.31Å; Q73-C76 WeakPolarHBondContact O-CB 3.32Å; Q73-L77 PolarHBondContact O-N 3.39Å
74	Q	33.8	Very low	44	Very low	18 Å²	18	73.8 Å²	73.8	8%	0.084	37%	0.369	C	S	.	.	H	α-helix	trans	-64.8	-57.9	174.3	-154.8	166.4	23.6	0	0	110	F70 N71 F72 C76 L77 Q78 E787 W792	F70-Q74 WeakPolarHBondContact O-CB 3.36Å; F70-Q74 PolarHBondContact O-N 3.41Å; N71-Q74 WeakPolarHBondContact O-CB 3.38Å; N71-Q74 PolarHBondContact O-N 3.45Å; F72-Q74 PolarHBondContact O-N 3.49Å; Q74-C76 PolarHBondContact O-N 2.96Å; Q74-L77 WeakPolarHBondContact O-CB 3.49Å; Q74-L77 PolarHBondContact O-N 3.07Å; Q74-Q78 PolarHBondContact O-N 3.29Å; Q74-E787 PolarHBondContact NE2-O 3.07Å; Q74-W792 HydrophobicContact CB-CH2 4.27Å; Q74-W792 HydrophobicContact CB-CZ3 4.21Å; Q74-W792 HydrophobicContact CG-CD2 4.3Å; Q74-W792 HydrophobicContact CG-CE3 3.9Å; Q74-W792 HydrophobicContact CG-CH2 3.71Å; Q74-W792 HydrophobicContact CG-CZ2 4.08Å; Q74-W792 HydrophobicContact CG-CZ3 3.64Å; Q74-W792 WeakPolarHBondContact O-CZ3 3.28Å
75	S	38.5	Very low	43.1	Very low	45 Å²	45	74.8 Å²	74.8	32%	0.315	38%	0.38	S	S	.	.	H	α-helix	trans	-54.9	-28.9	179.9	70.7	0	0	0	0	114.6	N71 F72	N71-S75 WeakPolarHBondContact O-CB 3.29Å; N71-S75 PolarHBondContact O-N 2.8Å; N71-S75 PolarHBondContact O-OG 3.32Å; F72-S75 PolarHBondContact O-N 2.81Å; F72-S75 VanDerWaalsContact O-N 3.09Å; F72-S75 PolarHBondContact O-OG 3.07Å
76	C	36.5	Very low	42.5	Very low	8 Å²	8	72.9 Å²	72.9	5%	0.054	37%	0.373	C	S	.	.	H	α-helix	trans	-59.2	-54.6	170.4	-63.7	0	0	0	0	111.4	F72 Q73 Q74 Q78 K79 L112 N113 L115	F72-C76 PolarHBondContact O-N 3.21Å; F72-C76 PolarHBondContact O-SG 3.32Å; Q73-C76 VanDerWaalsContact O-CB 3.31Å; Q73-C76 WeakPolarHBondContact O-CB 3.32Å; Q74-C76 PolarHBondContact O-N 2.96Å; C76-Q78 VanDerWaalsContact C-N 3.27Å; C76-Q78 PolarHBondContact O-N 3.14Å; C76-K79 PolarHBondContact O-N 2.84Å; C76-K79 VanDerWaalsContact O-N 3.14Å; C76-L112 WeakPolarHBondContact CB-O 3.45Å; C76-N113 WeakPolarHBondContact SG-CA 3.34Å; C76-L115 WeakPolarHBondContact O-CD1 3.4Å
77	L	35.6	Very low	42.1	Very low	22 Å²	22	71.6 Å²	71.6	12%	0.115	37%	0.367	C	S	.	.	H	α-helix	trans	-61.3	-33.3	-177.6	-67.2	171.7	0	0	0	112.4	Q73 Q74 K79 L80 F785 V796	Q73-L77 PolarHBondContact O-N 3.39Å; Q74-L77 WeakPolarHBondContact O-CB 3.49Å; Q74-L77 PolarHBondContact O-N 3.07Å; L77-K79 VanDerWaalsContact C-N 3.27Å; L77-K79 PolarHBondContact O-N 2.92Å; L77-L80 WeakPolarHBondContact O-CB 3.46Å; L77-L80 PolarHBondContact O-N 3.06Å; L77-F785 HydrophobicContact CD1-CD1 4.17Å; L77-F785 HydrophobicContact CD1-CE1 4.29Å; L77-V796 HydrophobicContact CB-CG2 4.5Å; L77-V796 HydrophobicContact CD2-CG1 4.48Å; L77-V796 WeakPolarHBondContact O-CG2 3.02Å
78	Q	33.2	Very low	42.4	Very low	93 Å²	93	72.4 Å²	72.4	44%	0.435	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-32.6	176.2	-123.9	168.3	17.4	0	0	114	Q74 C76 L80 W792	Q74-Q78 PolarHBondContact O-N 3.29Å; C76-Q78 VanDerWaalsContact C-N 3.27Å; C76-Q78 PolarHBondContact O-N 3.14Å; Q78-L80 PolarHBondContact O-N 3.11Å; Q78-W792 HydrophobicContact CB-CE3 3.6Å; Q78-W792 HydrophobicContact CB-CH2 4.16Å; Q78-W792 HydrophobicContact CB-CZ3 3.32Å; Q78-W792 VanDerWaalsContact CD-CE3 3.49Å; Q78-W792 HydrophobicContact CG-CD2 3.72Å; Q78-W792 HydrophobicContact CG-CE3 3.23Å; Q78-W792 HydrophobicContact CG-CH2 3.82Å; Q78-W792 HydrophobicContact CG-CZ2 4.28Å; Q78-W792 HydrophobicContact CG-CZ3 3.22Å
79	K	37.4	Very low	42.6	Very low	91 Å²	91	67.2 Å²	67.2	40%	0.396	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.5	179.1	-77.1	177.5	-169.6	152.2	0	112.4	C76 L77 N113 D114 L115	C76-K79 PolarHBondContact O-N 2.84Å; C76-K79 VanDerWaalsContact O-N 3.14Å; L77-K79 VanDerWaalsContact C-N 3.27Å; L77-K79 PolarHBondContact O-N 2.92Å; K79-N113 PolarHBondContact NZ-O 3.3Å; K79-D114 IonicContact NZ-OD1 3.34Å; K79-D114 PolarHBondContact NZ-OD1 2.66Å; K79-L115 HydrophobicContact CB-CB 4.35Å; K79-L115 HydrophobicContact CB-CD1 3.9Å
80	L	37	Very low	43.4	Very low	5 Å²	5	65.5 Å²	65.5	3%	0.026	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-75.6	-32.1	-174	-152.3	129.1	0	0	0	113	L77 Q78 V82 N83 V84 L99 L115 E797 Y799	L77-L80 WeakPolarHBondContact O-CB 3.46Å; L77-L80 PolarHBondContact O-N 3.06Å; Q78-L80 PolarHBondContact O-N 3.11Å; L80-V82 PolarHBondContact O-N 3.15Å; L80-N83 PolarHBondContact O-N 2.78Å; L80-V84 HydrophobicContact CG-CG2 4.36Å; L80-L99 HydrophobicContact CD1-CD2 4.39Å; L80-L115 HydrophobicContact CB-CD1 3.26Å; L80-L115 HydrophobicContact CD1-CD1 3.49Å; L80-L115 VanDerWaalsContact CD1-CD1 3.49Å; L80-L115 HydrophobicContact CD1-CD2 3.48Å; L80-L115 VanDerWaalsContact CD1-CD2 3.48Å; L80-L115 HydrophobicContact CD1-CG 4.13Å; L80-L115 HydrophobicContact CG-CD1 3.67Å; L80-L115 HydrophobicContact CG-CD2 4.33Å; L80-E797 HydrophobicContact CD2-CB 4.25Å; L80-E797 HydrophobicContact CD2-CG 4.19Å; L80-Y799 HydrophobicContact CD1-CE2 4.18Å; L80-Y799 WeakPolarHBondContact CD1-OH 3.3Å; L80-Y799 WeakPolarHBondContact CD2-OH 3.44Å; L80-Y799 WeakPolarHBondContact CG-OH 3.4Å
81	D	35.5	Very low	44.5	Very low	47 Å²	47	64.4 Å²	64.4	25%	0.251	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-50.7	-25.7	-177.3	-122.2	43.5	0	0	0	114.3	N795 V796	D81-N795 HydrophobicContact CB-CB 4.22Å; D81-N795 WeakPolarHBondContact OD1-CA 3.37Å; D81-N795 WeakPolarHBondContact OD1-CB 3.36Å; D81-N795 PolarHBondContact OD1-N 3.03Å; D81-N795 PolarHBondContact OD2-ND2 2.54Å; D81-V796 PolarHBondContact OD1-N 3.01Å
82	V	39	Very low	45.5	Very low	119 Å²	119	62.1 Å²	62.1	72%	0.721	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-107.5	-19	-165.4	-171.5	0	0	0	0	114.4	L80	L80-V82 PolarHBondContact O-N 3.15Å
83	N	42	Very low	46.6	Very low	108 Å²	108	58.8 Å²	58.8	58%	0.578	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	3.4	-161.2	-77.6	-18.2	0	0	0	117.3	L80	L80-N83 PolarHBondContact O-N 2.78Å
84	V	49.9	Very low	47.7	Very low	29 Å²	29	57.1 Å²	57.1	18%	0.176	30%	0.299	C	S	.	.			trans	-118.3	108.6	-172.5	-169.1	0	0	0	0	112.9	L80 I86 I89	L80-V84 HydrophobicContact CG-CG2 4.36Å; V84-I86 PolarHBondContact O-N 2.83Å; V84-I89 HydrophobicContact CG1-CD1 4.26Å
85	D	49.6	Very low	49.3	Very low	130 Å²	130	57 Å²	57	70%	0.695	30%	0.3	S	S	*	.			trans	-73.2	105	168.5	-76.8	-32.6	0	0	0	110.9	E87 R101	D85-E87 VanDerWaalsContact C-N 3.28Å; D85-E87 PolarHBondContact O-N 2.79Å; D85-R101 PolarHBondContact O-NH2 2.8Å
86	I	48.2	Very low	50.9	Low	73 Å²	73	56.7 Å²	56.7	37%	0.374	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.7	-177.6	-62.3	149.7	0	0	0	113.1	V84 N88 E797 S858	V84-I86 PolarHBondContact O-N 2.83Å; I86-N88 PolarHBondContact O-N 2.93Å; I86-N88 VanDerWaalsContact O-N 3.07Å; I86-E797 HydrophobicContact CG1-CG 4.33Å; I86-E797 WeakPolarHBondContact CG1-OE1 3.45Å; I86-S858 WeakPolarHBondContact CG2-OG 3.46Å
87	E	50.1	Low	52.6	Low	85 Å²	85	59.8 Å²	59.8	40%	0.397	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.3	-164.4	-65.7	-171.1	152.7	0	0	114.6	D85 R855	D85-E87 VanDerWaalsContact C-N 3.28Å; D85-E87 PolarHBondContact O-N 2.79Å; E87-R855 IonicContact OE2-CZ 3.22Å; E87-R855 IonicContact OE2-NE 2.84Å; E87-R855 PolarHBondContact OE2-NE 3.09Å; E87-R855 IonicContact OE2-NH2 2.63Å; E87-R855 PolarHBondContact OE2-NH2 3.07Å
88	N	58.1	Low	54.5	Low	69 Å²	69	59.4 Å²	59.4	37%	0.369	31%	0.314	S	S	.	.	S	Bend	trans	-119.6	58.7	-177.1	-61.3	-22	0	0	0	110.9	I86 R101 F103	I86-N88 PolarHBondContact O-N 2.93Å; I86-N88 VanDerWaalsContact O-N 3.07Å; N88-R101 PolarHBondContact O-NE 3.09Å; N88-R101 PolarHBondContact O-NH2 3.05Å; N88-F103 VanDerWaalsContact CA-CD2 3.44Å; N88-F103 HydrophobicContact CB-CD1 4.19Å; N88-F103 HydrophobicContact CB-CD2 3.66Å; N88-F103 HydrophobicContact CB-CE1 4.27Å; N88-F103 HydrophobicContact CB-CE2 3.73Å; N88-F103 HydrophobicContact CB-CG 3.89Å; N88-F103 HydrophobicContact CB-CZ 4.04Å; N88-F103 VanDerWaalsContact O-CB 3.25Å; N88-F103 WeakPolarHBondContact O-CB 3.44Å; N88-F103 VanDerWaalsContact O-CD2 3.25Å; N88-F103 WeakPolarHBondContact O-CD2 3.48Å; N88-F103 WeakPolarHBondContact O-CG 3.09Å
89	I	57.4	Low	56.5	Low	22 Å²	22	55.3 Å²	55.3	11%	0.113	30%	0.295	C	S	.	.			trans	-141.3	126.9	175.5	-51.6	-178.3	0	0	0	109.8	V84 F92 R101	V84-I89 HydrophobicContact CG1-CD1 4.26Å; I89-F92 HydrophobicContact CG2-CB 4.34Å; I89-F92 HydrophobicContact CG2-CD1 4.29Å; I89-R101 HydrophobicContact CD1-CG 3.89Å; I89-R101 HydrophobicContact CG1-CG 3.83Å; I89-R101 HydrophobicContact CG2-CG 4.23Å
90	H	61.1	Low	58.2	Low	63 Å²	63	51 Å²	51	29%	0.292	28%	0.276	S	S	.	.	S	Bend	trans	-113.1	-31	174	73.8	-69.2	0	0	0	113.2	I102 F103 E104 I133	H90-I102 WeakPolarHBondContact CE1-CG2 3.07Å; H90-I102 PolarHBondContact CE1-O 3.26Å; H90-I102 PolarHBondContact N-O 3.02Å; H90-I102 PolarHBondContact ND1-O 2.78Å; H90-F103 WeakPolarHBondContact ND1-CA 3.45Å; H90-E104 PolarHBondContact CE1-N 2.94Å; H90-E104 PolarHBondContact CE1-O 2.93Å; H90-E104 PolarHBondContact ND1-N 3.45Å; H90-E104 VanDerWaalsContact ND1-N 3.15Å; H90-I133 PolarHBondContact NE2-O 2.78Å
91	I	65.6	Low	60	Low	27 Å²	27	52.3 Å²	52.3	14%	0.138	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.3	174.6	-60.6	165.1	0	0	0	108.4	I102 I133 F136	I91-I102 HydrophobicContact CB-CB 4.17Å; I91-I102 HydrophobicContact CB-CD1 4.14Å; I91-I102 HydrophobicContact CB-CG1 4.49Å; I91-I102 HydrophobicContact CG2-CD1 3.96Å; I91-I102 PolarHBondContact N-O 2.7Å; I91-I102 WeakPolarHBondContact O-CA 3.39Å; I91-I102 WeakPolarHBondContact O-CB 3.02Å; I91-I102 PolarHBondContact O-N 2.91Å; I91-I133 HydrophobicContact CD1-CG2 4.25Å; I91-F136 HydrophobicContact CG2-CB 3.87Å
92	F	66.2	Low	61.8	Low	45 Å²	45	50 Å²	50	20%	0.197	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	159.3	168	65.1	-90.8	0	0	0	109.9	I89 F100 Y799	I89-F92 HydrophobicContact CG2-CB 4.34Å; I89-F92 HydrophobicContact CG2-CD1 4.29Å; F92-F100 CarbonylContact C-O 3.47Å; F92-F100 WeakPolarHBondContact CA-O 3.42Å; F92-F100 WeakPolarHBondContact CB-O 3.25Å; F92-Y799 AromaticContact CD2-CD1 3.78Å; F92-Y799 HydrophobicContact CD2-CD1 3.78Å; F92-Y799 HydrophobicContact CD2-CG 4.42Å; F92-Y799 VanDerWaalsContact CE2-CB 3.5Å; F92-Y799 AromaticContact CE2-CD1 3.77Å; F92-Y799 HydrophobicContact CE2-CD1 3.77Å; F92-Y799 HydrophobicContact CE2-CG 4.13Å; F92-Y799 WeakPolarHBondContact CE2-O 3.39Å; F92-Y799 HydrophobicContact CG-CD1 4.38Å; F92-Y799 VanDerWaalsContact CZ-C 3.43Å; F92-Y799 HydrophobicContact CZ-CD1 4.28Å; F92-Y799 WeakPolarHBondContact CZ-O 3.25Å
93	T	64.4	Low	63.5	Low	33 Å²	33	47.2 Å²	47.2	20%	0.202	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	145.9	175.3	-176.1	0	0	0	0	110.2	F100 F136 T138	T93-F100 HydrophobicContact CG2-CB 3.88Å; T93-F100 HydrophobicContact CG2-CD2 4.18Å; T93-F100 HydrophobicContact CG2-CG 4.45Å; T93-F100 PolarHBondContact N-O 3.11Å; T93-F100 PolarHBondContact O-N 3.2Å; T93-F136 HydrophobicContact CG2-CD1 3.45Å; T93-F136 VanDerWaalsContact CG2-CD1 3.45Å; T93-F136 HydrophobicContact CG2-CE1 3.31Å; T93-T138 HydrophobicContact CG2-CG2 3.68Å; T93-T138 VanDerWaalsContact CG2-OG1 3.3Å; T93-T138 WeakPolarHBondContact CG2-OG1 2.89Å; T93-T138 PolarHBondContact OG1-OG1 3.4Å
94	I	63.1	Low	65.1	Low	67 Å²	67	47.2 Å²	47.2	34%	0.344	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.1	177.3	-62	171.4	0	0	0	107.4	L99 L112 Y799	I94-L99 HydrophobicContact CD1-CD1 4.31Å; I94-L99 HydrophobicContact CG1-CD1 3.61Å; I94-L112 HydrophobicContact CG2-CD1 3.67Å; I94-L112 HydrophobicContact CG2-CD2 4.4Å; I94-Y799 HydrophobicContact CD1-CD2 3.77Å; I94-Y799 HydrophobicContact CD1-CG 3.83Å
95	V	67.7	Low	66.5	Low	17 Å²	17	47.5 Å²	47.5	10%	0.103	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	123.6	177.6	176	0	0	0	0	109.8	Q97 Y98 T138 Q140 I146	V95-Q97 PolarHBondContact O-N 2.78Å; V95-Y98 PolarHBondContact N-O 2.77Å; V95-Y98 PolarHBondContact O-N 2.77Å; V95-Y98 VanDerWaalsContact O-N 3.15Å; V95-T138 WeakPolarHBondContact CG2-OG1 3.4Å; V95-Q140 HydrophobicContact CG1-CB 3.61Å; V95-I146 HydrophobicContact CB-CD1 4.13Å; V95-I146 HydrophobicContact CG1-CD1 3.81Å; V95-I146 HydrophobicContact CG1-CG1 4.09Å; V95-I146 HydrophobicContact CG1-CG2 4.09Å; V95-I146 WeakPolarHBondContact O-CD1 3.44Å
96	G	70.5	Confident	68	Low	37 Å²	37	43.9 Å²	43.9	38%	0.381	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-128.1	-175.1	0	0	0	0	0	111.1	L112	G96-L112 WeakPolarHBondContact O-CD1 3.44Å
97	Q	73.6	Confident	69.8	Low	73 Å²	73	40.4 Å²	40.4	34%	0.341	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	11.6	177.9	64.5	-177	82.6	0	0	113.6	V95 L112	V95-Q97 PolarHBondContact O-N 2.78Å; Q97-L112 WeakPolarHBondContact O-CB 3.34Å; Q97-L112 PolarHBondContact O-N 3.14Å
98	Y	75.2	Confident	71.3	Confident	14 Å²	14	36.5 Å²	36.5	6%	0.055	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.5	-173.9	-54.7	-76.1	0	0	0	112.2	V95 Y110 I118 I146 F162	V95-Y98 PolarHBondContact N-O 2.77Å; V95-Y98 PolarHBondContact O-N 2.77Å; V95-Y98 VanDerWaalsContact O-N 3.15Å; Y98-Y110 WeakPolarHBondContact CA-O 3.4Å; Y98-I118 HydrophobicContact CD1-CD1 3.4Å; Y98-I118 HydrophobicContact CE1-CD1 3.23Å; Y98-I146 HydrophobicContact CD2-CD1 3.51Å; Y98-I146 HydrophobicContact CE2-CD1 4.24Å; Y98-I146 HydrophobicContact CG-CD1 4.35Å; Y98-F162 AromaticContact CD1-CE1 3.86Å; Y98-F162 HydrophobicContact CD1-CE1 3.86Å; Y98-F162 HydrophobicContact CD1-CZ 4.3Å; Y98-F162 HydrophobicContact CD2-CD1 4.46Å; Y98-F162 AromaticContact CD2-CE1 3.96Å; Y98-F162 HydrophobicContact CD2-CE1 3.96Å; Y98-F162 AromaticContact CE1-CE1 3.89Å; Y98-F162 HydrophobicContact CE1-CE1 3.89Å; Y98-F162 HydrophobicContact CE1-CZ 4.36Å; Y98-F162 AromaticContact CE2-CE1 3.98Å; Y98-F162 HydrophobicContact CE2-CE1 3.98Å; Y98-F162 AromaticContact CG-CE1 3.87Å; Y98-F162 HydrophobicContact CG-CE1 3.87Å; Y98-F162 AromaticContact CZ-CE1 3.93Å
99	L	74.2	Confident	72.4	Confident	7 Å²	7	33.2 Å²	33.2	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.2	168.5	170.9	67.6	0	0	0	108.5	L80 I94 A109 Y110 L112 Y799	L80-L99 HydrophobicContact CD1-CD2 4.39Å; I94-L99 HydrophobicContact CD1-CD1 4.31Å; I94-L99 HydrophobicContact CG1-CD1 3.61Å; L99-A109 WeakPolarHBondContact O-CA 3.07Å; L99-Y110 PolarHBondContact N-O 2.8Å; L99-Y110 PolarHBondContact O-N 3.26Å; L99-L112 HydrophobicContact CB-CD2 4.17Å; L99-L112 HydrophobicContact CB-CG 4.44Å; L99-Y799 HydrophobicContact CD1-CD1 4.46Å; L99-Y799 HydrophobicContact CD1-CE1 4.32Å; L99-Y799 HydrophobicContact CD2-CE1 4.4Å
100	F	74.9	Confident	73.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	117.8	173.3	-62.7	-83.2	0	0	0	109.7	F92 T93 I107 S108 A109 F136 I146 Q148 F162 F167	F92-F100 CarbonylContact C-O 3.47Å; F92-F100 WeakPolarHBondContact CA-O 3.42Å; F92-F100 WeakPolarHBondContact CB-O 3.25Å; T93-F100 HydrophobicContact CG2-CB 3.88Å; T93-F100 HydrophobicContact CG2-CD2 4.18Å; T93-F100 HydrophobicContact CG2-CG 4.45Å; T93-F100 PolarHBondContact N-O 3.11Å; T93-F100 PolarHBondContact O-N 3.2Å; F100-I107 HydrophobicContact CD1-CG2 4.22Å; F100-S108 CarbonylContact C-O 3.48Å; F100-S108 WeakPolarHBondContact CA-O 3.45Å; F100-A109 HydrophobicContact CD1-CB 3.82Å; F100-A109 HydrophobicContact CE1-CB 3.6Å; F100-F136 HydrophobicContact CB-CE1 3.94Å; F100-F136 HydrophobicContact CB-CZ 4.46Å; F100-F136 HydrophobicContact CG-CE1 4.36Å; F100-I146 HydrophobicContact CE2-CD1 3.75Å; F100-I146 HydrophobicContact CE2-CG2 4.17Å; F100-I146 HydrophobicContact CZ-CD1 3.95Å; F100-I146 HydrophobicContact CZ-CG2 4.33Å; F100-Q148 VanDerWaalsContact CD1-NE2 3.29Å; F100-F162 HydrophobicContact CE1-CB 4.35Å; F100-F162 HydrophobicContact CE1-CD1 4Å; F100-F162 HydrophobicContact CE1-CD2 4.01Å; F100-F162 HydrophobicContact CE1-CE1 4.23Å; F100-F162 HydrophobicContact CE1-CE2 4.24Å; F100-F162 AromaticContact CE1-CG 3.86Å; F100-F162 HydrophobicContact CE1-CG 3.86Å; F100-F162 HydrophobicContact CE1-CZ 4.33Å; F100-F162 HydrophobicContact CZ-CB 4.26Å; F100-F162 AromaticContact CZ-CD1 3.61Å; F100-F162 HydrophobicContact CZ-CD1 3.61Å; F100-F162 HydrophobicContact CZ-CD2 4.44Å; F100-F162 AromaticContact CZ-CE1 3.95Å; F100-F162 HydrophobicContact CZ-CE1 3.95Å; F100-F162 AromaticContact CZ-CG 3.85Å; F100-F162 HydrophobicContact CZ-CG 3.85Å; F100-F162 HydrophobicContact CZ-CZ 4.49Å; F100-F167 HydrophobicContact CD1-CE1 4.21Å; F100-F167 HydrophobicContact CD1-CZ 4.22Å; F100-F167 AromaticContact CE1-CE1 4Å; F100-F167 HydrophobicContact CE1-CE1 4Å; F100-F167 HydrophobicContact CE1-CZ 4.1Å
101	R	73.6	Confident	74	Confident	33 Å²	33	31.9 Å²	31.9	13%	0.125	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.6	172.6	168.9	-170.6	175.3	164.1	18.6	109	D85 N88 I89 I107 S108 Y110	D85-R101 PolarHBondContact O-NH2 2.8Å; N88-R101 PolarHBondContact O-NE 3.09Å; N88-R101 PolarHBondContact O-NH2 3.05Å; I89-R101 HydrophobicContact CD1-CG 3.89Å; I89-R101 HydrophobicContact CG1-CG 3.83Å; I89-R101 HydrophobicContact CG2-CG 4.23Å; R101-I107 CarbonylContact O-C 3.56Å; R101-I107 WeakPolarHBondContact O-CA 3.42Å; R101-S108 PolarHBondContact N-O 3.13Å; R101-S108 PolarHBondContact O-N 3.03Å; R101-Y110 HydrophobicContact CB-CE2 4.11Å
102	I	73.2	Confident	74.1	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.1	176.8	-44.2	176.2	0	0	0	110.5	H90 I91 Q106 I107 I133 F136	H90-I102 WeakPolarHBondContact CE1-CG2 3.07Å; H90-I102 PolarHBondContact CE1-O 3.26Å; H90-I102 PolarHBondContact N-O 3.02Å; H90-I102 PolarHBondContact ND1-O 2.78Å; I91-I102 HydrophobicContact CB-CB 4.17Å; I91-I102 HydrophobicContact CB-CD1 4.14Å; I91-I102 HydrophobicContact CB-CG1 4.49Å; I91-I102 HydrophobicContact CG2-CD1 3.96Å; I91-I102 PolarHBondContact N-O 2.7Å; I91-I102 WeakPolarHBondContact O-CA 3.39Å; I91-I102 WeakPolarHBondContact O-CB 3.02Å; I91-I102 PolarHBondContact O-N 2.91Å; I102-Q106 CarbonylContact C-O 3.45Å; I102-Q106 VanDerWaalsContact CA-O 3.24Å; I102-Q106 WeakPolarHBondContact CA-O 3.48Å; I102-Q106 WeakPolarHBondContact CG2-O 3.44Å; I102-I107 HydrophobicContact CD1-CG1 4.49Å; I102-I107 HydrophobicContact CG1-CG1 4.21Å; I102-I107 HydrophobicContact CG1-CG2 4.47Å; I102-I107 HydrophobicContact CG2-CG1 4.11Å; I102-I133 HydrophobicContact CG2-CB 4.26Å; I102-I133 HydrophobicContact CG2-CD1 3.68Å; I102-I133 HydrophobicContact CG2-CG2 4.42Å; I102-F136 HydrophobicContact CD1-CB 3.51Å; I102-F136 HydrophobicContact CD1-CD1 3.3Å; I102-F136 HydrophobicContact CD1-CD2 3.54Å; I102-F136 HydrophobicContact CD1-CE1 3.71Å; I102-F136 HydrophobicContact CD1-CE2 3.96Å; I102-F136 HydrophobicContact CD1-CG 3.17Å; I102-F136 HydrophobicContact CD1-CZ 4.03Å; I102-F136 HydrophobicContact CG1-CD1 4.44Å
103	F	74.3	Confident	74.2	Confident	59 Å²	59	31.5 Å²	31.5	26%	0.259	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	115.9	171.8	-176.1	-113.1	0	0	0	109.5	N88 H90 N105 Q106	N88-F103 VanDerWaalsContact CA-CD2 3.44Å; N88-F103 HydrophobicContact CB-CD1 4.19Å; N88-F103 HydrophobicContact CB-CD2 3.66Å; N88-F103 HydrophobicContact CB-CE1 4.27Å; N88-F103 HydrophobicContact CB-CE2 3.73Å; N88-F103 HydrophobicContact CB-CG 3.89Å; N88-F103 HydrophobicContact CB-CZ 4.04Å; N88-F103 VanDerWaalsContact O-CB 3.25Å; N88-F103 WeakPolarHBondContact O-CB 3.44Å; N88-F103 VanDerWaalsContact O-CD2 3.25Å; N88-F103 WeakPolarHBondContact O-CD2 3.48Å; N88-F103 WeakPolarHBondContact O-CG 3.09Å; H90-F103 WeakPolarHBondContact ND1-CA 3.45Å; F103-N105 PolarHBondContact O-N 3.18Å; F103-Q106 PolarHBondContact N-O 2.74Å; F103-Q106 WeakPolarHBondContact O-CB 3.15Å; F103-Q106 PolarHBondContact O-N 2.94Å
104	E	77	Confident	74.2	Confident	108 Å²	108	32.6 Å²	32.6	51%	0.505	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-97.2	-172.7	-58	-178.6	169.4	0	0	112.5	H90 V132 I133	H90-E104 PolarHBondContact CE1-N 2.94Å; H90-E104 PolarHBondContact CE1-O 2.93Å; H90-E104 PolarHBondContact ND1-N 3.45Å; H90-E104 VanDerWaalsContact ND1-N 3.15Å; E104-V132 HydrophobicContact CB-CG2 4.37Å; E104-I133 WeakPolarHBondContact O-CB 3Å; E104-I133 WeakPolarHBondContact O-CG1 2.82Å; E104-I133 PolarHBondContact O-N 3.47Å; E104-I133 VanDerWaalsContact O-N 3.14Å
105	N	79.5	Confident	74.3	Confident	36 Å²	36	29.7 Å²	29.7	19%	0.193	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-5.3	177.2	-68.8	-33.9	0	0	0	114	F103 Y123 S131 V132	F103-N105 PolarHBondContact O-N 3.18Å; N105-Y123 WeakPolarHBondContact O-CB 3.34Å; N105-Y123 PolarHBondContact O-N 2.97Å; N105-S131 PolarHBondContact ND2-O 3.28Å; N105-S131 PolarHBondContact OD1-O 3.35Å; N105-V132 WeakPolarHBondContact OD1-CA 3.47Å
106	Q	80.9	Confident	74.6	Confident	54 Å²	54	35.1 Å²	35.1	25%	0.252	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.7	-178.3	-178.7	169.6	66	0	0	110.2	I102 F103 E120 N122	I102-Q106 CarbonylContact C-O 3.45Å; I102-Q106 VanDerWaalsContact CA-O 3.24Å; I102-Q106 WeakPolarHBondContact CA-O 3.48Å; I102-Q106 WeakPolarHBondContact CG2-O 3.44Å; F103-Q106 PolarHBondContact N-O 2.74Å; F103-Q106 WeakPolarHBondContact O-CB 3.15Å; F103-Q106 PolarHBondContact O-N 2.94Å; Q106-E120 HydrophobicContact CG-CG 3.94Å; Q106-E120 VanDerWaalsContact NE2-CD 3.27Å; Q106-E120 PolarHBondContact NE2-OE1 2.62Å; Q106-E120 PolarHBondContact OE1-OE1 3.14Å; Q106-N122 VanDerWaalsContact CB-OD1 3.31Å; Q106-N122 WeakPolarHBondContact CB-OD1 3.46Å; Q106-N122 VanDerWaalsContact CG-OD1 3.23Å; Q106-N122 WeakPolarHBondContact CG-OD1 3.42Å; Q106-N122 PolarHBondContact NE2-OD1 3.35Å
107	I	84.8	Confident	74.9	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.2	174.6	-57.3	169.8	0	0	0	108	F100 R101 I102 W121 I133 F136 I150 F167	F100-I107 HydrophobicContact CD1-CG2 4.22Å; R101-I107 CarbonylContact O-C 3.56Å; R101-I107 WeakPolarHBondContact O-CA 3.42Å; I102-I107 HydrophobicContact CD1-CG1 4.49Å; I102-I107 HydrophobicContact CG1-CG1 4.21Å; I102-I107 HydrophobicContact CG1-CG2 4.47Å; I102-I107 HydrophobicContact CG2-CG1 4.11Å; I107-W121 HydrophobicContact CB-CE3 4.38Å; I107-W121 HydrophobicContact CD1-CE3 3.67Å; I107-W121 HydrophobicContact CD1-CZ3 3.66Å; I107-W121 HydrophobicContact CG1-CE3 4.38Å; I107-W121 PolarHBondContact N-O 2.73Å; I107-W121 PolarHBondContact O-N 3.46Å; I107-I133 HydrophobicContact CD1-CD1 3.9Å; I107-I133 HydrophobicContact CG1-CD1 3.87Å; I107-F136 HydrophobicContact CD1-CE2 4.05Å; I107-F136 HydrophobicContact CG2-CZ 4.43Å; I107-I150 HydrophobicContact CD1-CD1 3.54Å; I107-I150 HydrophobicContact CD1-CG1 4.31Å; I107-F167 HydrophobicContact CB-CE1 4.39Å; I107-F167 HydrophobicContact CB-CZ 4.41Å; I107-F167 HydrophobicContact CG2-CE1 3.67Å; I107-F167 HydrophobicContact CG2-CZ 3.76Å
108	S	81.5	Confident	75.2	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.7	176.8	-62	0	0	0	0	109.9	F100 R101 Y110 S119	F100-S108 CarbonylContact C-O 3.48Å; F100-S108 WeakPolarHBondContact CA-O 3.45Å; R101-S108 PolarHBondContact N-O 3.13Å; R101-S108 PolarHBondContact O-N 3.03Å; S108-Y110 VanDerWaalsContact CB-CE2 3.49Å; S108-S119 CarbonylContact C-O 3.6Å
109	A	82.6	Confident	75.5	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.6	174.4	0	0	0	0	0	110	L99 F100 I118 S119 F162 F167	L99-A109 WeakPolarHBondContact O-CA 3.07Å; F100-A109 HydrophobicContact CD1-CB 3.82Å; F100-A109 HydrophobicContact CE1-CB 3.6Å; A109-I118 WeakPolarHBondContact O-CB 3.31Å; A109-I118 PolarHBondContact O-N 2.94Å; A109-S119 PolarHBondContact N-O 3.02Å; A109-S119 PolarHBondContact O-N 3.4Å; A109-F162 HydrophobicContact CB-CE1 4.49Å; A109-F162 HydrophobicContact CB-CE2 3.63Å; A109-F162 HydrophobicContact CB-CZ 3.6Å; A109-F167 HydrophobicContact CB-CE2 4.22Å; A109-F167 HydrophobicContact CB-CZ 3.81Å
110	Y	75.7	Confident	76	Confident	28 Å²	28	39.7 Å²	39.7	11%	0.11	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.1	175.1	-64.7	-97.3	0	0	0	109.7	Y98 L99 R101 S108 K116 L117	Y98-Y110 WeakPolarHBondContact CA-O 3.4Å; L99-Y110 PolarHBondContact N-O 2.8Å; L99-Y110 PolarHBondContact O-N 3.26Å; R101-Y110 HydrophobicContact CB-CE2 4.11Å; S108-Y110 VanDerWaalsContact CB-CE2 3.49Å; Y110-K116 WeakPolarHBondContact CA-O 3.38Å; Y110-L117 HydrophobicContact CD1-CB 4.1Å; Y110-L117 HydrophobicContact CD1-CD1 4.35Å; Y110-L117 HydrophobicContact CD2-CD1 4.41Å; Y110-L117 HydrophobicContact CE1-CB 3.79Å; Y110-L117 HydrophobicContact CE1-CD1 3.94Å; Y110-L117 HydrophobicContact CE1-CG 4.46Å; Y110-L117 HydrophobicContact CE2-CD1 4.01Å
111	D	75.2	Confident	76.5	Confident	28 Å²	28	40.2 Å²	40.2	15%	0.15	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.1	168	-167.6	9.4	0	0	0	108.2	N113 L115 K116 I118	D111-N113 PolarHBondContact O-N 2.86Å; D111-N113 PolarHBondContact OD1-N 3.46Å; D111-N113 PolarHBondContact OD1-ND2 3.38Å; D111-L115 WeakPolarHBondContact O-CA 3.45Å; D111-L115 WeakPolarHBondContact O-CD2 3.46Å; D111-L115 PolarHBondContact O-N 3.47Å; D111-K116 PolarHBondContact N-O 3.49Å; D111-K116 VanDerWaalsContact N-O 3.09Å; D111-I118 HydrophobicContact CB-CD1 3.67Å; D111-I118 HydrophobicContact CB-CG1 3.91Å
112	L	67.5	Low	76.9	Confident	31 Å²	31	42.7 Å²	42.7	16%	0.162	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-31.1	174.9	-78.1	158.8	0	0	0	110.6	C76 I94 G96 Q97 L99	C76-L112 WeakPolarHBondContact CB-O 3.45Å; I94-L112 HydrophobicContact CG2-CD1 3.67Å; I94-L112 HydrophobicContact CG2-CD2 4.4Å; G96-L112 WeakPolarHBondContact O-CD1 3.44Å; Q97-L112 WeakPolarHBondContact O-CB 3.34Å; Q97-L112 PolarHBondContact O-N 3.14Å; L99-L112 HydrophobicContact CB-CD2 4.17Å; L99-L112 HydrophobicContact CB-CG 4.44Å
113	N	68	Low	77.2	Confident	34 Å²	34	43 Å²	43	18%	0.182	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-45.3	-172.2	-51.1	-32.7	0	0	0	114.5	F72 C76 K79 D111	F72-N113 HydrophobicContact CE1-CB 4.43Å; F72-N113 WeakPolarHBondContact CE1-OD1 3.37Å; F72-N113 HydrophobicContact CE2-CB 4.45Å; F72-N113 HydrophobicContact CZ-CB 3.78Å; F72-N113 WeakPolarHBondContact CZ-OD1 3.24Å; C76-N113 WeakPolarHBondContact SG-CA 3.34Å; K79-N113 PolarHBondContact NZ-O 3.3Å; D111-N113 PolarHBondContact O-N 2.86Å; D111-N113 PolarHBondContact OD1-N 3.46Å; D111-N113 PolarHBondContact OD1-ND2 3.38Å
114	D	66.3	Low	77	Confident	56 Å²	56	46.1 Å²	46.1	30%	0.299	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-15.3	-175.6	-91.2	-0.4	0	0	0	112.7	K79 K116	K79-D114 IonicContact NZ-OD1 3.34Å; K79-D114 PolarHBondContact NZ-OD1 2.66Å; D114-K116 HydrophobicContact CB-CB 4.29Å; D114-K116 HydrophobicContact CB-CD 3.9Å; D114-K116 HydrophobicContact CB-CG 3.97Å; D114-K116 PolarHBondContact O-N 3.23Å; D114-K116 IonicContact OD2-NZ 2.62Å; D114-K116 PolarHBondContact OD2-NZ 3.38Å
115	L	64.2	Low	76.2	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.031	21%	0.21	C	C	.	.			trans	49.8	28.1	-171.8	-64.7	163.6	0	0	0	113.4	C76 K79 L80 D111	C76-L115 WeakPolarHBondContact O-CD1 3.4Å; K79-L115 HydrophobicContact CB-CB 4.35Å; K79-L115 HydrophobicContact CB-CD1 3.9Å; L80-L115 HydrophobicContact CB-CD1 3.26Å; L80-L115 HydrophobicContact CD1-CD1 3.49Å; L80-L115 VanDerWaalsContact CD1-CD1 3.49Å; L80-L115 HydrophobicContact CD1-CD2 3.48Å; L80-L115 VanDerWaalsContact CD1-CD2 3.48Å; L80-L115 HydrophobicContact CD1-CG 4.13Å; L80-L115 HydrophobicContact CG-CD1 3.67Å; L80-L115 HydrophobicContact CG-CD2 4.33Å; D111-L115 WeakPolarHBondContact O-CA 3.45Å; D111-L115 WeakPolarHBondContact O-CD2 3.46Å; D111-L115 PolarHBondContact O-N 3.47Å
116	K	74	Confident	74.8	Confident	131 Å²	131	44.5 Å²	44.5	57%	0.57	24%	0.242	S	C	*	.			trans	-79.4	134.8	167.4	-71.4	171.7	-170.9	155.5	0	107.5	Y110 D111 D114 I118	Y110-K116 WeakPolarHBondContact CA-O 3.38Å; D111-K116 PolarHBondContact N-O 3.49Å; D111-K116 VanDerWaalsContact N-O 3.09Å; D114-K116 HydrophobicContact CB-CB 4.29Å; D114-K116 HydrophobicContact CB-CD 3.9Å; D114-K116 HydrophobicContact CB-CG 3.97Å; D114-K116 PolarHBondContact O-N 3.23Å; D114-K116 IonicContact OD2-NZ 2.62Å; D114-K116 PolarHBondContact OD2-NZ 3.38Å; K116-I118 PolarHBondContact O-N 2.99Å; K116-I118 VanDerWaalsContact O-N 3.07Å
117	L	76.6	Confident	73.3	Confident	77 Å²	77	47.9 Å²	47.9	40%	0.403	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	114	166.9	-179.7	67	0	0	0	107.8	Y110 S119 E120	Y110-L117 HydrophobicContact CD1-CB 4.1Å; Y110-L117 HydrophobicContact CD1-CD1 4.35Å; Y110-L117 HydrophobicContact CD2-CD1 4.41Å; Y110-L117 HydrophobicContact CE1-CB 3.79Å; Y110-L117 HydrophobicContact CE1-CD1 3.94Å; Y110-L117 HydrophobicContact CE1-CG 4.46Å; Y110-L117 HydrophobicContact CE2-CD1 4.01Å; L117-S119 WeakPolarHBondContact CD1-O 3.44Å; L117-E120 HydrophobicContact CD1-CB 4.33Å; L117-E120 HydrophobicContact CD2-CB 4.27Å
118	I	79.5	Confident	71.6	Confident	61 Å²	61	51.9 Å²	51.9	31%	0.313	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-46.2	175.4	-57.8	-177.3	0	0	0	108.7	Y98 A109 D111 K116	Y98-I118 HydrophobicContact CD1-CD1 3.4Å; Y98-I118 HydrophobicContact CE1-CD1 3.23Å; A109-I118 WeakPolarHBondContact O-CB 3.31Å; A109-I118 PolarHBondContact O-N 2.94Å; D111-I118 HydrophobicContact CB-CD1 3.67Å; D111-I118 HydrophobicContact CB-CG1 3.91Å; K116-I118 PolarHBondContact O-N 2.99Å; K116-I118 VanDerWaalsContact O-N 3.07Å
119	S	82.4	Confident	70.1	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	147.7	-174.4	-165.3	0	0	0	0	111.2	S108 A109 L117 G165 K257	S108-S119 CarbonylContact C-O 3.6Å; A109-S119 PolarHBondContact N-O 3.02Å; A109-S119 PolarHBondContact O-N 3.4Å; L117-S119 WeakPolarHBondContact CD1-O 3.44Å; S119-G165 WeakPolarHBondContact CB-O 3.31Å; S119-G165 PolarHBondContact OG-O 3.13Å; S119-K257 WeakPolarHBondContact OG-CE 3.28Å; S119-K257 PolarHBondContact OG-NZ 2.94Å
120	E	84.2	Confident	68.5	Low	85 Å²	85	63.3 Å²	63.3	40%	0.397	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.9	176.5	-175.8	172.9	-151.1	0	0	106.7	Q106 L117	Q106-E120 HydrophobicContact CG-CG 3.94Å; Q106-E120 VanDerWaalsContact NE2-CD 3.27Å; Q106-E120 PolarHBondContact NE2-OE1 2.62Å; Q106-E120 PolarHBondContact OE1-OE1 3.14Å; L117-E120 HydrophobicContact CD1-CB 4.33Å; L117-E120 HydrophobicContact CD2-CB 4.27Å
121	W	84.8	Confident	68	Low	12 Å²	12	62.3 Å²	62.3	5%	0.045	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.8	-176.7	177.9	64.6	0	0	0	110.1	I107 Y123 I150 V160 F167 E261	I107-W121 HydrophobicContact CB-CE3 4.38Å; I107-W121 HydrophobicContact CD1-CE3 3.67Å; I107-W121 HydrophobicContact CD1-CZ3 3.66Å; I107-W121 HydrophobicContact CG1-CE3 4.38Å; I107-W121 PolarHBondContact N-O 2.73Å; I107-W121 PolarHBondContact O-N 3.46Å; W121-Y123 AromaticContact CH2-CD2 3.6Å; W121-Y123 HydrophobicContact CH2-CD2 3.6Å; W121-Y123 HydrophobicContact CH2-CE2 4.46Å; W121-Y123 HydrophobicContact CH2-CG 4.48Å; W121-Y123 HydrophobicContact CZ2-CD2 4.38Å; W121-Y123 AromaticContact CZ3-CD2 4Å; W121-Y123 HydrophobicContact CZ3-CD2 4Å; W121-I150 HydrophobicContact CH2-CD1 4.34Å; W121-I150 HydrophobicContact CZ3-CD1 3.76Å; W121-V160 HydrophobicContact CH2-CG1 4.48Å; W121-V160 HydrophobicContact CH2-CG2 3.56Å; W121-V160 HydrophobicContact CZ3-CG1 4.36Å; W121-V160 HydrophobicContact CZ3-CG2 3.79Å; W121-F167 HydrophobicContact CB-CB 3.96Å; W121-F167 HydrophobicContact CB-CD1 4.35Å; W121-F167 HydrophobicContact CB-CD2 3.29Å; W121-F167 HydrophobicContact CB-CE2 3.72Å; W121-F167 HydrophobicContact CB-CG 3.62Å; W121-F167 HydrophobicContact CB-CZ 4.41Å; W121-F167 HydrophobicContact CD2-CB 3.87Å; W121-F167 HydrophobicContact CD2-CG 4.15Å; W121-F167 HydrophobicContact CE3-CB 4.25Å; W121-F167 HydrophobicContact CE3-CD1 4.14Å; W121-F167 HydrophobicContact CE3-CG 4.25Å; W121-F167 HydrophobicContact CG-CB 3.73Å; W121-F167 HydrophobicContact CG-CD2 4.05Å; W121-F167 AromaticContact CG-CG 3.91Å; W121-F167 HydrophobicContact CG-CG 3.91Å; W121-E261 PolarHBondContact NE1-O 3.1Å; W121-E261 VanDerWaalsContact NE1-O 3.13Å
122	N	83.7	Confident	67.8	Low	84 Å²	84	63.1 Å²	63.1	45%	0.449	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.6	176.2	-71.1	-27.4	0	0	0	108.7	Q106 L124	Q106-N122 VanDerWaalsContact CB-OD1 3.31Å; Q106-N122 WeakPolarHBondContact CB-OD1 3.46Å; Q106-N122 VanDerWaalsContact CG-OD1 3.23Å; Q106-N122 WeakPolarHBondContact CG-OD1 3.42Å; Q106-N122 PolarHBondContact NE2-OD1 3.35Å; N122-L124 PolarHBondContact O-N 2.79Å
123	Y	79.6	Confident	67.9	Low	8 Å²	8	61.7 Å²	61.7	3%	0.031	36%	0.357	C	S	.	.			trans	-64	97.2	173.3	178.3	-109.7	0	0	0	109.6	N105 W121 N125 I133 I150 N152 S158	N105-Y123 WeakPolarHBondContact O-CB 3.34Å; N105-Y123 PolarHBondContact O-N 2.97Å; W121-Y123 AromaticContact CH2-CD2 3.6Å; W121-Y123 HydrophobicContact CH2-CD2 3.6Å; W121-Y123 HydrophobicContact CH2-CE2 4.46Å; W121-Y123 HydrophobicContact CH2-CG 4.48Å; W121-Y123 HydrophobicContact CZ2-CD2 4.38Å; W121-Y123 AromaticContact CZ3-CD2 4Å; W121-Y123 HydrophobicContact CZ3-CD2 4Å; Y123-N125 HydrophobicContact CE1-CB 4.4Å; Y123-I133 HydrophobicContact CD1-CD1 4.43Å; Y123-I133 HydrophobicContact CD1-CG1 4.11Å; Y123-I133 HydrophobicContact CG-CD1 4.36Å; Y123-I150 HydrophobicContact CD2-CD1 4.41Å; Y123-I150 HydrophobicContact CE2-CG2 4.4Å; Y123-N152 HydrophobicContact CE1-CB 4.32Å; Y123-S158 WeakPolarHBondContact CE2-OG 3.3Å; Y123-S158 PolarHBondContact OH-OG 2.96Å
124	L	69.6	Low	67.9	Low	124 Å²	124	66.7 Å²	66.7	65%	0.649	37%	0.373	S	S	*	.			trans	-86.8	115.2	177.1	-74.3	162.6	0	0	0	109.4	N122	N122-L124 PolarHBondContact O-N 2.79Å
125	N	59	Low	68	Low	26 Å²	26	65.5 Å²	65.5	14%	0.139	37%	0.368	C	S	.	.			trans	-90.8	118.2	168.7	-168.4	2.7	0	0	0	109.7	Y123 L127 S131 N152 Q156	Y123-N125 HydrophobicContact CE1-CB 4.4Å; N125-L127 PolarHBondContact O-N 3.27Å; N125-L127 VanDerWaalsContact O-N 3.11Å; N125-S131 WeakPolarHBondContact CB-OG 3.03Å; N125-S131 PolarHBondContact ND2-OG 3.04Å; N125-N152 PolarHBondContact ND2-ND2 3.12Å; N125-Q156 VanDerWaalsContact CG-OE1 3.28Å; N125-Q156 PolarHBondContact ND2-OE1 2.78Å; N125-Q156 PolarHBondContact OD1-OE1 3.38Å; N125-Q156 VanDerWaalsContact OD1-OE1 3.09Å
126	G	51.2	Low	68.6	Low	83 Å²	83	66.1 Å²	66.1	86%	0.856	37%	0.37	S	S	*	.	S	Bend	trans	-65.6	-13.1	-173.1	0	0	0	0	0	115.7
127	L	49.2	Very low	68.9	Low	126 Å²	126	62.6 Å²	62.6	66%	0.66	36%	0.355	S	S	*	.	S	Bend	trans	-109.3	-33	-176.7	-122.4	79.4	0	0	0	114.8	N125 P176	N125-L127 PolarHBondContact O-N 3.27Å; N125-L127 VanDerWaalsContact O-N 3.11Å; L127-P176 HydrophobicContact CD2-CG 4.47Å
128	N	48	Very low	69	Low	83 Å²	83	60.3 Å²	60.3	44%	0.444	34%	0.344	S	S	.	.			trans	-137	110.3	-168.7	-72	-20.2	0	0	0	110.6	C130	N128-C130 PolarHBondContact O-N 3.26Å
129	S	50.6	Low	69	Low	126 Å²	126	59.1 Å²	59.1	88%	0.881	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	3.9	177	-41	0	0	0	0	114.5
130	C	49.9	Very low	68.8	Low	118 Å²	118	62.7 Å²	62.7	80%	0.797	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.1	14	-171.3	-57.4	0	0	0	0	114.3	N128	N128-C130 PolarHBondContact O-N 3.26Å
131	S	65.3	Low	68.5	Low	6 Å²	6	61.8 Å²	61.8	4%	0.042	35%	0.348	C	S	.	.			trans	-79	136.4	171.6	58.5	0	0	0	0	110	N105 N125	N105-S131 PolarHBondContact ND2-O 3.28Å; N105-S131 PolarHBondContact OD1-O 3.35Å; N125-S131 WeakPolarHBondContact CB-OG 3.03Å; N125-S131 PolarHBondContact ND2-OG 3.04Å
132	V	70	Confident	68	Low	46 Å²	46	65.6 Å²	65.6	28%	0.279	37%	0.369	S	S	.	.			trans	-106.9	151.5	169.4	169	0	0	0	0	109.3	E104 N105 R134 N152 D153	E104-V132 HydrophobicContact CB-CG2 4.37Å; N105-V132 WeakPolarHBondContact OD1-CA 3.47Å; V132-R134 PolarHBondContact O-N 3.01Å; V132-N152 CarbonylContact O-C 3.59Å; V132-N152 VanDerWaalsContact O-CA 3.22Å; V132-N152 WeakPolarHBondContact O-CA 3.25Å; V132-N152 WeakPolarHBondContact O-CB 3.22Å; V132-D153 PolarHBondContact O-N 2.86Å
133	I	70.3	Confident	67.5	Low	1 Å²	1	69 Å²	69	1%	0.005	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	120.1	173.8	-64.1	170.3	0	0	0	109.2	H90 I91 I102 E104 I107 Y123 I150	H90-I133 PolarHBondContact NE2-O 2.78Å; I91-I133 HydrophobicContact CD1-CG2 4.25Å; I102-I133 HydrophobicContact CG2-CB 4.26Å; I102-I133 HydrophobicContact CG2-CD1 3.68Å; I102-I133 HydrophobicContact CG2-CG2 4.42Å; E104-I133 WeakPolarHBondContact O-CB 3Å; E104-I133 WeakPolarHBondContact O-CG1 2.82Å; E104-I133 PolarHBondContact O-N 3.47Å; E104-I133 VanDerWaalsContact O-N 3.14Å; I107-I133 HydrophobicContact CD1-CD1 3.9Å; I107-I133 HydrophobicContact CG1-CD1 3.87Å; Y123-I133 HydrophobicContact CD1-CD1 4.43Å; Y123-I133 HydrophobicContact CD1-CG1 4.11Å; Y123-I133 HydrophobicContact CG-CD1 4.36Å; I133-I150 HydrophobicContact CD1-CG2 4.18Å; I133-I150 HydrophobicContact CG1-CG2 3.88Å; I133-I150 HydrophobicContact CG2-CG2 3.98Å
134	R	68.1	Low	67.2	Low	139 Å²	139	71.8 Å²	71.8	53%	0.525	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-44.5	-178.6	-172.5	-179.5	162	-169	-3.5	112.9	V132 I151 D153	V132-R134 PolarHBondContact O-N 3.01Å; R134-I151 WeakPolarHBondContact CA-O 3.38Å; R134-I151 WeakPolarHBondContact CB-O 3.39Å; R134-I151 PolarHBondContact N-O 2.97Å; R134-D153 VanDerWaalsContact CB-OD1 3.26Å; R134-D153 WeakPolarHBondContact CB-OD1 3.24Å; R134-D153 WeakPolarHBondContact CG-OD1 3.41Å
135	T	68.1	Low	67.8	Low	30 Å²	30	66 Å²	66	18%	0.184	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	129.7	-176	-55.2	0	0	0	0	108.9	K137 I151	T135-K137 HydrophobicContact CG2-CG 4.23Å; T135-I151 PolarHBondContact N-O 2.89Å; T135-I151 PolarHBondContact O-N 2.9Å
136	F	76.6	Confident	69.1	Low	20 Å²	20	64.8 Å²	64.8	9%	0.088	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.4	174.7	-167.6	-118.6	0	0	0	109.2	I91 T93 F100 I102 I107 T138 Q148 L149 I150	I91-F136 HydrophobicContact CG2-CB 3.87Å; T93-F136 HydrophobicContact CG2-CD1 3.45Å; T93-F136 VanDerWaalsContact CG2-CD1 3.45Å; T93-F136 HydrophobicContact CG2-CE1 3.31Å; F100-F136 HydrophobicContact CB-CE1 3.94Å; F100-F136 HydrophobicContact CB-CZ 4.46Å; F100-F136 HydrophobicContact CG-CE1 4.36Å; I102-F136 HydrophobicContact CD1-CB 3.51Å; I102-F136 HydrophobicContact CD1-CD1 3.3Å; I102-F136 HydrophobicContact CD1-CD2 3.54Å; I102-F136 HydrophobicContact CD1-CE1 3.71Å; I102-F136 HydrophobicContact CD1-CE2 3.96Å; I102-F136 HydrophobicContact CD1-CG 3.17Å; I102-F136 HydrophobicContact CD1-CZ 4.03Å; I102-F136 HydrophobicContact CG1-CD1 4.44Å; I107-F136 HydrophobicContact CD1-CE2 4.05Å; I107-F136 HydrophobicContact CG2-CZ 4.43Å; F136-T138 HydrophobicContact CD1-CG2 3.73Å; F136-T138 HydrophobicContact CE1-CG2 3.2Å; F136-T138 HydrophobicContact CE2-CG2 4.34Å; F136-T138 HydrophobicContact CZ-CG2 3.56Å; F136-Q148 HydrophobicContact CE2-CB 3.97Å; F136-Q148 HydrophobicContact CZ-CB 4.09Å; F136-Q148 HydrophobicContact CZ-CG 4.15Å; F136-L149 WeakPolarHBondContact CA-O 3.21Å; F136-I150 HydrophobicContact CD2-CG1 3.67Å; F136-I150 HydrophobicContact CE2-CD1 4.2Å; F136-I150 HydrophobicContact CE2-CG1 3.65Å
137	K	80.1	Confident	70.7	Confident	57 Å²	57	60.9 Å²	60.9	25%	0.248	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.7	174.5	-66.6	-174.3	-174.3	176.7	0	110	T135 Q148 L149 N186 G187	T135-K137 HydrophobicContact CG2-CG 4.23Å; K137-Q148 CarbonylContact O-C 3.56Å; K137-Q148 WeakPolarHBondContact O-CA 3.09Å; K137-L149 HydrophobicContact CB-CB 4.28Å; K137-L149 PolarHBondContact N-O 3.06Å; K137-L149 PolarHBondContact O-N 2.87Å; K137-N186 PolarHBondContact NZ-OD1 3.01Å; K137-G187 WeakPolarHBondContact CD-O 3.27Å; K137-G187 WeakPolarHBondContact CE-O 3.21Å; K137-G187 PolarHBondContact NZ-O 2.72Å
138	T	79.5	Confident	72.6	Confident	28 Å²	28	54.9 Å²	54.9	17%	0.172	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.5	-171.2	47.5	0	0	0	0	110.4	T93 V95 F136 L147 Q148	T93-T138 HydrophobicContact CG2-CG2 3.68Å; T93-T138 VanDerWaalsContact CG2-OG1 3.3Å; T93-T138 WeakPolarHBondContact CG2-OG1 2.89Å; T93-T138 PolarHBondContact OG1-OG1 3.4Å; V95-T138 WeakPolarHBondContact CG2-OG1 3.4Å; F136-T138 HydrophobicContact CD1-CG2 3.73Å; F136-T138 HydrophobicContact CE1-CG2 3.2Å; F136-T138 HydrophobicContact CE2-CG2 4.34Å; F136-T138 HydrophobicContact CZ-CG2 3.56Å; T138-L147 WeakPolarHBondContact CA-O 3.47Å; T138-Q148 HydrophobicContact CG2-CB 4.17Å; T138-Q148 HydrophobicContact CG2-CG 3.87Å
139	I	78.1	Confident	74.4	Confident	36 Å²	36	51 Å²	51	19%	0.185	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	140.5	171.1	-163.8	165.9	0	0	0	110.8	Y141 L147 I189 S190 P191	I139-Y141 PolarHBondContact O-N 3.09Å; I139-L147 HydrophobicContact CG2-CB 4.01Å; I139-L147 PolarHBondContact N-O 3.34Å; I139-L147 PolarHBondContact O-N 2.89Å; I139-I189 HydrophobicContact CG2-CB 4.02Å; I139-I189 HydrophobicContact CG2-CD1 4.1Å; I139-I189 HydrophobicContact CG2-CG2 3.6Å; I139-S190 WeakPolarHBondContact CD1-O 3.18Å; I139-P191 VanDerWaalsContact CD1-CA 3.43Å; I139-P191 WeakPolarHBondContact CD1-O 3.47Å
140	Q	79.7	Confident	75.9	Confident	78 Å²	78	45 Å²	45	36%	0.364	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	116.1	171.6	-166.6	169.8	4.7	0	0	108.9	V95 D142 I146	V95-Q140 HydrophobicContact CG1-CB 3.61Å; Q140-D142 WeakPolarHBondContact CG-O 3Å; Q140-D142 PolarHBondContact NE2-O 3.19Å; Q140-I146 HydrophobicContact CG-CG1 4.49Å
141	Y	76.6	Confident	77.2	Confident	66 Å²	66	39.4 Å²	39.4	26%	0.259	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-45.1	173.5	179.5	-102.4	0	0	0	110.7	I139 V145 C192 K194 V217	I139-Y141 PolarHBondContact O-N 3.09Å; Y141-V145 HydrophobicContact CD1-CG1 4.48Å; Y141-V145 PolarHBondContact N-O 3.4Å; Y141-C192 WeakPolarHBondContact CD2-O 3.26Å; Y141-C192 WeakPolarHBondContact CE2-O 2.96Å; Y141-K194 HydrophobicContact CE2-CG 4.39Å; Y141-V217 HydrophobicContact CD1-CG1 3.82Å; Y141-V217 HydrophobicContact CE1-CB 4.42Å; Y141-V217 HydrophobicContact CE1-CG1 3.57Å; Y141-V217 HydrophobicContact CE2-CB 4.5Å; Y141-V217 HydrophobicContact CE2-CG1 4.32Å; Y141-V217 HydrophobicContact CE2-CG2 4.49Å; Y141-V217 HydrophobicContact CG-CG1 4.29Å
142	D	74.8	Confident	77.6	Confident	92 Å²	92	39.1 Å²	39.1	49%	0.492	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	171.2	177.4	-162.4	-1.8	0	0	0	109.3	Q140 N144 V145	Q140-D142 WeakPolarHBondContact CG-O 3Å; Q140-D142 PolarHBondContact NE2-O 3.19Å; D142-N144 PolarHBondContact O-N 3.02Å; D142-V145 HydrophobicContact CB-CB 4.26Å; D142-V145 HydrophobicContact CB-CG2 4.44Å; D142-V145 PolarHBondContact N-O 2.94Å; D142-V145 PolarHBondContact O-N 3.44Å; D142-V145 VanDerWaalsContact O-N 3.11Å
143	K	73.1	Confident	77.8	Confident	155 Å²	155	41.6 Å²	41.6	67%	0.674	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-39.1	-178.5	-69.3	-169.7	178	-170.7	0	112.7
144	N	74.3	Confident	77.7	Confident	67 Å²	67	43.9 Å²	43.9	36%	0.358	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	0.5	-175.9	-62.3	1.5	0	0	0	114.3	D142 E164	D142-N144 PolarHBondContact O-N 3.02Å; N144-E164 HydrophobicContact CB-CG 4.42Å
145	V	81.5	Confident	77.8	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.1	-171.1	-177	0	0	0	0	110.5	Y141 D142 M161 V163 M221	Y141-V145 HydrophobicContact CD1-CG1 4.48Å; Y141-V145 PolarHBondContact N-O 3.4Å; D142-V145 HydrophobicContact CB-CB 4.26Å; D142-V145 HydrophobicContact CB-CG2 4.44Å; D142-V145 PolarHBondContact N-O 2.94Å; D142-V145 PolarHBondContact O-N 3.44Å; D142-V145 VanDerWaalsContact O-N 3.11Å; V145-M161 HydrophobicContact CG1-CE 4.41Å; V145-M161 HydrophobicContact CG1-CG 3.83Å; V145-M161 HydrophobicContact CG1-SD 3.71Å; V145-V163 HydrophobicContact CG1-CG2 4.28Å; V145-V163 HydrophobicContact CG2-CG1 4.44Å; V145-V163 HydrophobicContact CG2-CG2 4.27Å; V145-M221 HydrophobicContact CG1-SD 4.34Å; V145-M221 HydrophobicContact CG2-CE 3.78Å; V145-M221 HydrophobicContact CG2-SD 3.74Å
146	I	85.7	Confident	78.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.7	178.1	-63	178.9	0	0	0	109.1	V95 Y98 F100 Q140 Q148 M161 F162	V95-I146 HydrophobicContact CB-CD1 4.13Å; V95-I146 HydrophobicContact CG1-CD1 3.81Å; V95-I146 HydrophobicContact CG1-CG1 4.09Å; V95-I146 HydrophobicContact CG1-CG2 4.09Å; V95-I146 WeakPolarHBondContact O-CD1 3.44Å; Y98-I146 HydrophobicContact CD2-CD1 3.51Å; Y98-I146 HydrophobicContact CE2-CD1 4.24Å; Y98-I146 HydrophobicContact CG-CD1 4.35Å; F100-I146 HydrophobicContact CE2-CD1 3.75Å; F100-I146 HydrophobicContact CE2-CG2 4.17Å; F100-I146 HydrophobicContact CZ-CD1 3.95Å; F100-I146 HydrophobicContact CZ-CG2 4.33Å; Q140-I146 HydrophobicContact CG-CG1 4.49Å; I146-Q148 HydrophobicContact CG2-CG 4.05Å; I146-M161 WeakPolarHBondContact O-CA 3.41Å; I146-F162 HydrophobicContact CB-CB 4.27Å; I146-F162 PolarHBondContact N-O 3.13Å; I146-F162 PolarHBondContact O-N 3.04Å
147	L	85.5	Confident	78.5	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.5	174.4	-68.9	171.6	0	0	0	109.4	T138 I139 M161 I170 I189 G193 L215 V217 W220	T138-L147 WeakPolarHBondContact CA-O 3.47Å; I139-L147 HydrophobicContact CG2-CB 4.01Å; I139-L147 PolarHBondContact N-O 3.34Å; I139-L147 PolarHBondContact O-N 2.89Å; L147-M161 HydrophobicContact CD2-CB 4.28Å; L147-M161 HydrophobicContact CD2-CE 3.79Å; L147-M161 HydrophobicContact CD2-CG 4.07Å; L147-I170 HydrophobicContact CD2-CD1 4.47Å; L147-I189 HydrophobicContact CB-CD1 4.11Å; L147-G193 WeakPolarHBondContact CD1-O 3.31Å; L147-L215 HydrophobicContact CD1-CD1 4.09Å; L147-V217 HydrophobicContact CD1-CG2 4.2Å; L147-W220 HydrophobicContact CD2-CZ3 4.15Å
148	Q	88	Confident	78.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132	-174.5	-47.9	-175.5	-32.3	0	0	109.8	F100 F136 K137 T138 I146 L159 V160	F100-Q148 VanDerWaalsContact CD1-NE2 3.29Å; F136-Q148 HydrophobicContact CE2-CB 3.97Å; F136-Q148 HydrophobicContact CZ-CB 4.09Å; F136-Q148 HydrophobicContact CZ-CG 4.15Å; K137-Q148 CarbonylContact O-C 3.56Å; K137-Q148 WeakPolarHBondContact O-CA 3.09Å; T138-Q148 HydrophobicContact CG2-CB 4.17Å; T138-Q148 HydrophobicContact CG2-CG 3.87Å; I146-Q148 HydrophobicContact CG2-CG 4.05Å; Q148-L159 WeakPolarHBondContact O-CA 2.96Å; Q148-V160 HydrophobicContact CB-CB 4.37Å; Q148-V160 WeakPolarHBondContact CB-O 3.44Å; Q148-V160 PolarHBondContact N-O 3.48Å; Q148-V160 PolarHBondContact O-N 2.81Å
149	L	86	Confident	79.1	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.6	173.8	-169.9	75.9	0	0	0	108.3	F136 K137 L157 L159 I189 F196	F136-L149 WeakPolarHBondContact CA-O 3.21Å; K137-L149 HydrophobicContact CB-CB 4.28Å; K137-L149 PolarHBondContact N-O 3.06Å; K137-L149 PolarHBondContact O-N 2.87Å; L149-L157 HydrophobicContact CD1-CD1 3.41Å; L149-L157 VanDerWaalsContact CD1-CD1 3.41Å; L149-L157 HydrophobicContact CD1-CD2 4.18Å; L149-L157 HydrophobicContact CD1-CG 3.92Å; L149-L157 HydrophobicContact CD2-CD1 4.18Å; L149-L157 HydrophobicContact CG-CD1 3.75Å; L149-L159 HydrophobicContact CB-CD2 4.36Å; L149-L159 HydrophobicContact CD1-CD2 3.38Å; L149-L159 HydrophobicContact CD1-CG 3.97Å; L149-I189 HydrophobicContact CB-CD1 4.04Å; L149-I189 HydrophobicContact CB-CG1 4.27Å; L149-F196 HydrophobicContact CD1-CD2 4.49Å
150	I	83.6	Confident	79.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.5	-179.9	-59.7	164.6	0	0	0	107.8	I107 W121 Y123 I133 F136 S158 V160	I107-I150 HydrophobicContact CD1-CD1 3.54Å; I107-I150 HydrophobicContact CD1-CG1 4.31Å; W121-I150 HydrophobicContact CH2-CD1 4.34Å; W121-I150 HydrophobicContact CZ3-CD1 3.76Å; Y123-I150 HydrophobicContact CD2-CD1 4.41Å; Y123-I150 HydrophobicContact CE2-CG2 4.4Å; I133-I150 HydrophobicContact CD1-CG2 4.18Å; I133-I150 HydrophobicContact CG1-CG2 3.88Å; I133-I150 HydrophobicContact CG2-CG2 3.98Å; F136-I150 HydrophobicContact CD2-CG1 3.67Å; F136-I150 HydrophobicContact CE2-CD1 4.2Å; F136-I150 HydrophobicContact CE2-CG1 3.65Å; I150-S158 PolarHBondContact N-O 2.81Å; I150-S158 PolarHBondContact O-N 2.8Å; I150-V160 HydrophobicContact CD1-CB 4.36Å; I150-V160 HydrophobicContact CD1-CG2 3.65Å
151	I	75.8	Confident	80	Confident	1 Å²	1	28 Å²	28	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.9	170.1	-54.8	174	0	0	0	107.3	R134 T135 Q156 L157 T184	R134-I151 WeakPolarHBondContact CA-O 3.38Å; R134-I151 WeakPolarHBondContact CB-O 3.39Å; R134-I151 PolarHBondContact N-O 2.97Å; T135-I151 PolarHBondContact N-O 2.89Å; T135-I151 PolarHBondContact O-N 2.9Å; I151-Q156 WeakPolarHBondContact CA-O 3.12Å; I151-L157 HydrophobicContact CD1-CD1 3.95Å; I151-L157 HydrophobicContact CG1-CD1 3.47Å; I151-L157 VanDerWaalsContact CG1-CD1 3.47Å; I151-T184 HydrophobicContact CD1-CG2 4.13Å
152	N	74.5	Confident	80.6	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	172	176.2	70.1	15.3	0	0	0	112.2	Y123 N125 V132 S154 G155 Q156	Y123-N152 HydrophobicContact CE1-CB 4.32Å; N125-N152 PolarHBondContact ND2-ND2 3.12Å; V132-N152 CarbonylContact O-C 3.59Å; V132-N152 VanDerWaalsContact O-CA 3.22Å; V132-N152 WeakPolarHBondContact O-CA 3.25Å; V132-N152 WeakPolarHBondContact O-CB 3.22Å; N152-S154 PolarHBondContact ND2-OG 3.34Å; N152-S154 VanDerWaalsContact ND2-OG 3.07Å; N152-S154 PolarHBondContact O-N 2.92Å; N152-S154 WeakPolarHBondContact OD1-CA 3.42Å; N152-S154 PolarHBondContact OD1-N 2.91Å; N152-S154 VanDerWaalsContact OD1-N 3.13Å; N152-S154 PolarHBondContact OD1-OG 3.06Å; N152-G155 WeakPolarHBondContact O-CA 3.15Å; N152-G155 PolarHBondContact O-N 3.15Å; N152-G155 PolarHBondContact OD1-N 3.42Å; N152-Q156 PolarHBondContact N-O 2.66Å; N152-Q156 PolarHBondContact ND2-OE1 2.84Å; N152-Q156 VanDerWaalsContact ND2-OE1 3.09Å; N152-Q156 PolarHBondContact OD1-N 2.82Å
153	D	73.2	Confident	81.1	Confident	98 Å²	98	20.8 Å²	20.8	52%	0.524	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.8	178.2	-73.8	-29.2	0	0	0	113.8	V132 R134 G155	V132-D153 PolarHBondContact O-N 2.86Å; R134-D153 VanDerWaalsContact CB-OD1 3.26Å; R134-D153 WeakPolarHBondContact CB-OD1 3.24Å; R134-D153 WeakPolarHBondContact CG-OD1 3.41Å; D153-G155 PolarHBondContact O-N 3.14Å
154	S	70	Confident	81.3	Confident	49 Å²	49	16.3 Å²	16.3	34%	0.343	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-0.7	171.7	66.7	0	0	0	0	113.8	N152	N152-S154 PolarHBondContact ND2-OG 3.34Å; N152-S154 VanDerWaalsContact ND2-OG 3.07Å; N152-S154 PolarHBondContact O-N 2.92Å; N152-S154 WeakPolarHBondContact OD1-CA 3.42Å; N152-S154 PolarHBondContact OD1-N 2.91Å; N152-S154 VanDerWaalsContact OD1-N 3.13Å; N152-S154 PolarHBondContact OD1-OG 3.06Å
155	G	68.9	Low	81.5	Confident	4 Å²	4	13.4 Å²	13.4	4%	0.041	8%	0.075	C	C	.	.			trans	71.2	26.7	-179.5	0	0	0	0	0	113.9	N152 D153 T184	N152-G155 WeakPolarHBondContact O-CA 3.15Å; N152-G155 PolarHBondContact O-N 3.15Å; N152-G155 PolarHBondContact OD1-N 3.42Å; D153-G155 PolarHBondContact O-N 3.14Å; G155-T184 WeakPolarHBondContact CA-O 3.46Å; G155-T184 WeakPolarHBondContact O-CB 3.35Å; G155-T184 PolarHBondContact O-N 3.28Å
156	Q	77.4	Confident	81.6	Confident	29 Å²	29	13.8 Å²	13.8	14%	0.136	8%	0.078	C	C	.	.			trans	-88	132.5	171.5	-63.6	171.9	-21.8	0	0	110.1	N125 I151 N152	N125-Q156 VanDerWaalsContact CG-OE1 3.28Å; N125-Q156 PolarHBondContact ND2-OE1 2.78Å; N125-Q156 PolarHBondContact OD1-OE1 3.38Å; N125-Q156 VanDerWaalsContact OD1-OE1 3.09Å; I151-Q156 WeakPolarHBondContact CA-O 3.12Å; N152-Q156 PolarHBondContact N-O 2.66Å; N152-Q156 PolarHBondContact ND2-OE1 2.84Å; N152-Q156 VanDerWaalsContact ND2-OE1 3.09Å; N152-Q156 PolarHBondContact OD1-N 2.82Å
157	L	82.1	Confident	81.6	Confident	5 Å²	5	13.8 Å²	13.8	3%	0.026	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.5	178	-168.6	72.7	0	0	0	110.3	L149 I151 N174 T184 F196	L149-L157 HydrophobicContact CD1-CD1 3.41Å; L149-L157 VanDerWaalsContact CD1-CD1 3.41Å; L149-L157 HydrophobicContact CD1-CD2 4.18Å; L149-L157 HydrophobicContact CD1-CG 3.92Å; L149-L157 HydrophobicContact CD2-CD1 4.18Å; L149-L157 HydrophobicContact CG-CD1 3.75Å; I151-L157 HydrophobicContact CD1-CD1 3.95Å; I151-L157 HydrophobicContact CG1-CD1 3.47Å; I151-L157 VanDerWaalsContact CG1-CD1 3.47Å; L157-N174 PolarHBondContact N-ND2 3.11Å; L157-T184 HydrophobicContact CB-CG2 4.35Å; L157-T184 HydrophobicContact CD1-CG2 4.03Å; L157-F196 HydrophobicContact CD2-CD2 4.43Å; L157-F196 HydrophobicContact CD2-CE2 3.54Å; L157-F196 HydrophobicContact CD2-CZ 4Å
158	S	84.2	Confident	81.7	Confident	4 Å²	4	13.8 Å²	13.8	3%	0.028	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.7	170.6	-61	0	0	0	0	110.2	Y123 I150 Q172	Y123-S158 WeakPolarHBondContact CE2-OG 3.3Å; Y123-S158 PolarHBondContact OH-OG 2.96Å; I150-S158 PolarHBondContact N-O 2.81Å; I150-S158 PolarHBondContact O-N 2.8Å; S158-Q172 PolarHBondContact OG-NE2 2.65Å
159	L	87.4	Confident	81.5	Confident	11 Å²	11	14.6 Å²	14.6	6%	0.058	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.9	172.1	-79	167.8	0	0	0	108.4	Q148 L149 I170 F196 L215 P269	Q148-L159 WeakPolarHBondContact O-CA 2.96Å; L149-L159 HydrophobicContact CB-CD2 4.36Å; L149-L159 HydrophobicContact CD1-CD2 3.38Å; L149-L159 HydrophobicContact CD1-CG 3.97Å; L159-I170 HydrophobicContact CB-CB 3.92Å; L159-I170 HydrophobicContact CB-CD1 3.77Å; L159-I170 HydrophobicContact CB-CG1 4.43Å; L159-I170 HydrophobicContact CB-CG2 4.34Å; L159-I170 WeakPolarHBondContact O-CB 3.44Å; L159-I170 PolarHBondContact O-N 3.07Å; L159-F196 HydrophobicContact CD1-CD1 3.81Å; L159-F196 HydrophobicContact CD1-CE1 3.54Å; L159-F196 HydrophobicContact CD1-CG 4.45Å; L159-F196 HydrophobicContact CD1-CZ 4.06Å; L159-L215 HydrophobicContact CD1-CD2 4.11Å; L159-P269 HydrophobicContact CD1-CG 3.75Å
160	V	88.7	Confident	81.4	Confident	2 Å²	2	14.7 Å²	14.7	1%	0.012	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.9	179.2	-178.2	0	0	0	0	108.4	W121 Q148 I150 F167	W121-V160 HydrophobicContact CH2-CG1 4.48Å; W121-V160 HydrophobicContact CH2-CG2 3.56Å; W121-V160 HydrophobicContact CZ3-CG1 4.36Å; W121-V160 HydrophobicContact CZ3-CG2 3.79Å; Q148-V160 HydrophobicContact CB-CB 4.37Å; Q148-V160 WeakPolarHBondContact CB-O 3.44Å; Q148-V160 PolarHBondContact N-O 3.48Å; Q148-V160 PolarHBondContact O-N 2.81Å; I150-V160 HydrophobicContact CD1-CB 4.36Å; I150-V160 HydrophobicContact CD1-CG2 3.65Å; V160-F167 HydrophobicContact CG1-CB 4.1Å; V160-F167 HydrophobicContact CG1-CD1 4.06Å
161	M	88.8	Confident	80.8	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.2	171.7	-168.5	-174.7	-70.3	0	0	109	V145 I146 L147 V163 I168 I170 V217 W220 M221 I224 L266	V145-M161 HydrophobicContact CG1-CE 4.41Å; V145-M161 HydrophobicContact CG1-CG 3.83Å; V145-M161 HydrophobicContact CG1-SD 3.71Å; I146-M161 WeakPolarHBondContact O-CA 3.41Å; L147-M161 HydrophobicContact CD2-CB 4.28Å; L147-M161 HydrophobicContact CD2-CE 3.79Å; L147-M161 HydrophobicContact CD2-CG 4.07Å; M161-V163 HydrophobicContact CG-CG2 3.63Å; M161-V163 HydrophobicContact SD-CG2 3.57Å; M161-V163 VanDerWaalsContact SD-CG2 3.57Å; M161-I168 PolarHBondContact N-O 2.81Å; M161-I168 PolarHBondContact O-N 2.86Å; M161-I170 HydrophobicContact CB-CD1 4.36Å; M161-V217 HydrophobicContact CE-CG1 4.23Å; M161-W220 HydrophobicContact CE-CB 3.69Å; M161-W220 HydrophobicContact CE-CD2 4.04Å; M161-W220 HydrophobicContact CE-CE3 3.38Å; M161-W220 HydrophobicContact CE-CG 4.22Å; M161-W220 HydrophobicContact CE-CZ3 4.23Å; M161-M221 HydrophobicContact SD-SD 4.33Å; M161-I224 HydrophobicContact CE-CD1 4.21Å; M161-I224 HydrophobicContact CG-CD1 4.5Å; M161-I224 HydrophobicContact SD-CD1 3.26Å; M161-I224 WeakPolarHBondContact SD-CD1 3.49Å; M161-L266 HydrophobicContact CB-CD1 4.36Å
162	F	88.4	Confident	80.4	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.5	172.6	-180	-100.2	0	0	0	109.5	Y98 F100 A109 I146 G165 L166 F167	Y98-F162 AromaticContact CD1-CE1 3.86Å; Y98-F162 HydrophobicContact CD1-CE1 3.86Å; Y98-F162 HydrophobicContact CD1-CZ 4.3Å; Y98-F162 HydrophobicContact CD2-CD1 4.46Å; Y98-F162 AromaticContact CD2-CE1 3.96Å; Y98-F162 HydrophobicContact CD2-CE1 3.96Å; Y98-F162 AromaticContact CE1-CE1 3.89Å; Y98-F162 HydrophobicContact CE1-CE1 3.89Å; Y98-F162 HydrophobicContact CE1-CZ 4.36Å; Y98-F162 AromaticContact CE2-CE1 3.98Å; Y98-F162 HydrophobicContact CE2-CE1 3.98Å; Y98-F162 AromaticContact CG-CE1 3.87Å; Y98-F162 HydrophobicContact CG-CE1 3.87Å; Y98-F162 AromaticContact CZ-CE1 3.93Å; F100-F162 HydrophobicContact CE1-CB 4.35Å; F100-F162 HydrophobicContact CE1-CD1 4Å; F100-F162 HydrophobicContact CE1-CD2 4.01Å; F100-F162 HydrophobicContact CE1-CE1 4.23Å; F100-F162 HydrophobicContact CE1-CE2 4.24Å; F100-F162 AromaticContact CE1-CG 3.86Å; F100-F162 HydrophobicContact CE1-CG 3.86Å; F100-F162 HydrophobicContact CE1-CZ 4.33Å; F100-F162 HydrophobicContact CZ-CB 4.26Å; F100-F162 AromaticContact CZ-CD1 3.61Å; F100-F162 HydrophobicContact CZ-CD1 3.61Å; F100-F162 HydrophobicContact CZ-CD2 4.44Å; F100-F162 AromaticContact CZ-CE1 3.95Å; F100-F162 HydrophobicContact CZ-CE1 3.95Å; F100-F162 AromaticContact CZ-CG 3.85Å; F100-F162 HydrophobicContact CZ-CG 3.85Å; F100-F162 HydrophobicContact CZ-CZ 4.49Å; A109-F162 HydrophobicContact CB-CE1 4.49Å; A109-F162 HydrophobicContact CB-CE2 3.63Å; A109-F162 HydrophobicContact CB-CZ 3.6Å; I146-F162 HydrophobicContact CB-CB 4.27Å; I146-F162 PolarHBondContact N-O 3.13Å; I146-F162 PolarHBondContact O-N 3.04Å; F162-G165 VanDerWaalsContact CZ-CA 3.5Å; F162-L166 WeakPolarHBondContact CA-O 3.49Å; F162-F167 AromaticContact CD2-CD1 3.89Å; F162-F167 HydrophobicContact CD2-CD1 3.89Å; F162-F167 HydrophobicContact CD2-CD2 4.14Å; F162-F167 AromaticContact CD2-CE1 3.74Å; F162-F167 HydrophobicContact CD2-CE1 3.74Å; F162-F167 HydrophobicContact CD2-CE2 4.03Å; F162-F167 HydrophobicContact CD2-CG 4.11Å; F162-F167 AromaticContact CD2-CZ 3.83Å; F162-F167 HydrophobicContact CD2-CZ 3.83Å; F162-F167 HydrophobicContact CE2-CD2 4.3Å; F162-F167 HydrophobicContact CE2-CE1 4.33Å; F162-F167 AromaticContact CE2-CE2 3.93Å; F162-F167 HydrophobicContact CE2-CE2 3.93Å; F162-F167 AromaticContact CE2-CZ 3.95Å; F162-F167 HydrophobicContact CE2-CZ 3.95Å
163	V	85.6	Confident	79.8	Confident	6 Å²	6	24.7 Å²	24.7	4%	0.036	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	119.9	-178.7	-172.5	0	0	0	0	109.6	V145 M161 G165 L166 I224 V228	V145-V163 HydrophobicContact CG1-CG2 4.28Å; V145-V163 HydrophobicContact CG2-CG1 4.44Å; V145-V163 HydrophobicContact CG2-CG2 4.27Å; M161-V163 HydrophobicContact CG-CG2 3.63Å; M161-V163 HydrophobicContact SD-CG2 3.57Å; M161-V163 VanDerWaalsContact SD-CG2 3.57Å; V163-G165 PolarHBondContact O-N 2.79Å; V163-L166 PolarHBondContact N-O 2.92Å; V163-L166 PolarHBondContact O-N 2.88Å; V163-I224 HydrophobicContact CB-CG2 4.4Å; V163-I224 HydrophobicContact CG1-CG2 4.32Å; V163-I224 HydrophobicContact CG2-CD1 4.3Å; V163-I224 HydrophobicContact CG2-CG2 4.37Å; V163-V228 HydrophobicContact CG1-CG2 3.9Å
164	E	77.2	Confident	79	Confident	61 Å²	61	21 Å²	21	29%	0.285	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	36.7	176.3	-62	-167.3	178.3	0	0	115.4	N144 V228 Q232	N144-E164 HydrophobicContact CB-CG 4.42Å; E164-V228 VanDerWaalsContact OE2-CG1 3.24Å; E164-V228 WeakPolarHBondContact OE2-CG1 3.22Å; E164-Q232 VanDerWaalsContact CD-NE2 3.34Å; E164-Q232 PolarHBondContact OE1-NE2 3.09Å; E164-Q232 PolarHBondContact OE2-NE2 2.8Å
165	G	78.6	Confident	78	Confident	6 Å²	6	24.4 Å²	24.4	6%	0.062	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	4.1	-179.8	0	0	0	0	0	115.6	S119 F162 V163	S119-G165 WeakPolarHBondContact CB-O 3.31Å; S119-G165 PolarHBondContact OG-O 3.13Å; F162-G165 VanDerWaalsContact CZ-CA 3.5Å; V163-G165 PolarHBondContact O-N 2.79Å
166	L	83.7	Confident	76.8	Confident	12 Å²	12	27.9 Å²	27.9	6%	0.063	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	133	176.5	-63.1	169.6	0	0	0	110.6	F162 V163 I168 I227 F231 K257	F162-L166 WeakPolarHBondContact CA-O 3.49Å; V163-L166 PolarHBondContact N-O 2.92Å; V163-L166 PolarHBondContact O-N 2.88Å; L166-I168 HydrophobicContact CB-CG1 4.27Å; L166-I227 HydrophobicContact CD1-CG2 4.29Å; L166-F231 HydrophobicContact CD1-CB 4.47Å; L166-F231 HydrophobicContact CD1-CD2 3.42Å; L166-F231 VanDerWaalsContact CD1-CD2 3.42Å; L166-F231 HydrophobicContact CD1-CE2 3.68Å; L166-F231 HydrophobicContact CD1-CG 3.9Å; L166-F231 HydrophobicContact CD1-CZ 4.35Å; L166-F231 HydrophobicContact CD2-CD1 4.42Å; L166-F231 HydrophobicContact CD2-CD2 4.46Å; L166-F231 HydrophobicContact CD2-CE1 4.15Å; L166-F231 HydrophobicContact CD2-CE2 4.19Å; L166-F231 HydrophobicContact CD2-CZ 4.03Å; L166-K257 HydrophobicContact CD2-CD 4.34Å; L166-K257 HydrophobicContact CD2-CG 3.89Å
167	F	86.3	Confident	75.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	102.6	172.5	-70.2	-87.7	0	0	0	110.1	F100 I107 A109 W121 V160 F162 P169 E261	F100-F167 HydrophobicContact CD1-CE1 4.21Å; F100-F167 HydrophobicContact CD1-CZ 4.22Å; F100-F167 AromaticContact CE1-CE1 4Å; F100-F167 HydrophobicContact CE1-CE1 4Å; F100-F167 HydrophobicContact CE1-CZ 4.1Å; I107-F167 HydrophobicContact CB-CE1 4.39Å; I107-F167 HydrophobicContact CB-CZ 4.41Å; I107-F167 HydrophobicContact CG2-CE1 3.67Å; I107-F167 HydrophobicContact CG2-CZ 3.76Å; A109-F167 HydrophobicContact CB-CE2 4.22Å; A109-F167 HydrophobicContact CB-CZ 3.81Å; W121-F167 HydrophobicContact CB-CB 3.96Å; W121-F167 HydrophobicContact CB-CD1 4.35Å; W121-F167 HydrophobicContact CB-CD2 3.29Å; W121-F167 HydrophobicContact CB-CE2 3.72Å; W121-F167 HydrophobicContact CB-CG 3.62Å; W121-F167 HydrophobicContact CB-CZ 4.41Å; W121-F167 HydrophobicContact CD2-CB 3.87Å; W121-F167 HydrophobicContact CD2-CG 4.15Å; W121-F167 HydrophobicContact CE3-CB 4.25Å; W121-F167 HydrophobicContact CE3-CD1 4.14Å; W121-F167 HydrophobicContact CE3-CG 4.25Å; W121-F167 HydrophobicContact CG-CB 3.73Å; W121-F167 HydrophobicContact CG-CD2 4.05Å; W121-F167 AromaticContact CG-CG 3.91Å; W121-F167 HydrophobicContact CG-CG 3.91Å; V160-F167 HydrophobicContact CG1-CB 4.1Å; V160-F167 HydrophobicContact CG1-CD1 4.06Å; F162-F167 AromaticContact CD2-CD1 3.89Å; F162-F167 HydrophobicContact CD2-CD1 3.89Å; F162-F167 HydrophobicContact CD2-CD2 4.14Å; F162-F167 AromaticContact CD2-CE1 3.74Å; F162-F167 HydrophobicContact CD2-CE1 3.74Å; F162-F167 HydrophobicContact CD2-CE2 4.03Å; F162-F167 HydrophobicContact CD2-CG 4.11Å; F162-F167 AromaticContact CD2-CZ 3.83Å; F162-F167 HydrophobicContact CD2-CZ 3.83Å; F162-F167 HydrophobicContact CE2-CD2 4.3Å; F162-F167 HydrophobicContact CE2-CE1 4.33Å; F162-F167 AromaticContact CE2-CE2 3.93Å; F162-F167 HydrophobicContact CE2-CE2 3.93Å; F162-F167 AromaticContact CE2-CZ 3.95Å; F162-F167 HydrophobicContact CE2-CZ 3.95Å; F167-P169 WeakPolarHBondContact O-CD 3.33Å; F167-E261 HydrophobicContact CB-CG 4.38Å; F167-E261 PolarHBondContact N-OE1 2.84Å; F167-E261 WeakPolarHBondContact O-CA 3.24Å; F167-E261 VanDerWaalsContact O-CG 3.31Å; F167-E261 WeakPolarHBondContact O-CG 3.13Å
168	I	86.3	Confident	73.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	107.5	-177.1	-55.5	178.7	0	0	0	108.4	M161 L166 I224 F264 L266	M161-I168 PolarHBondContact N-O 2.81Å; M161-I168 PolarHBondContact O-N 2.86Å; L166-I168 HydrophobicContact CB-CG1 4.27Å; I168-I224 HydrophobicContact CD1-CB 4.29Å; I168-I224 HydrophobicContact CD1-CD1 4.02Å; I168-I224 HydrophobicContact CD1-CG1 3.75Å; I168-I224 HydrophobicContact CD1-CG2 3.65Å; I168-F264 HydrophobicContact CG2-CD1 3.9Å; I168-F264 HydrophobicContact CG2-CE1 4.15Å; I168-L266 HydrophobicContact CB-CD1 4.31Å; I168-L266 HydrophobicContact CG2-CD1 3.62Å; I168-L266 HydrophobicContact CG2-CD2 4.17Å; I168-L266 HydrophobicContact CG2-CG 3.68Å
169	P	84.8	Confident	72.1	Confident	18 Å²	18	43.5 Å²	43.5	12%	0.117	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	139.5	178.7	29.6	-33.8	0	0	0	110.1	F167 Y260 E261 F264 Q265 L266	F167-P169 WeakPolarHBondContact O-CD 3.33Å; P169-Y260 WeakPolarHBondContact CD-O 3.44Å; P169-E261 WeakPolarHBondContact CD-O 3.23Å; P169-E261 WeakPolarHBondContact CG-O 3Å; P169-F264 WeakPolarHBondContact CG-O 3.42Å; P169-Q265 WeakPolarHBondContact O-CA 3.22Å; P169-L266 PolarHBondContact O-N 2.97Å
170	I	83.9	Confident	70.5	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-90.6	140.4	173.2	-66.2	154	0	0	0	107.5	L147 L159 M161 Q172 W220 L266 P269	L147-I170 HydrophobicContact CD2-CD1 4.47Å; L159-I170 HydrophobicContact CB-CB 3.92Å; L159-I170 HydrophobicContact CB-CD1 3.77Å; L159-I170 HydrophobicContact CB-CG1 4.43Å; L159-I170 HydrophobicContact CB-CG2 4.34Å; L159-I170 WeakPolarHBondContact O-CB 3.44Å; L159-I170 PolarHBondContact O-N 3.07Å; M161-I170 HydrophobicContact CB-CD1 4.36Å; I170-Q172 PolarHBondContact O-N 3Å; I170-W220 HydrophobicContact CB-CH2 4.44Å; I170-W220 HydrophobicContact CB-CZ2 4.33Å; I170-W220 HydrophobicContact CD1-CE3 4.06Å; I170-W220 HydrophobicContact CD1-CH2 3.39Å; I170-W220 HydrophobicContact CD1-CZ2 4Å; I170-W220 HydrophobicContact CD1-CZ3 3.47Å; I170-W220 VanDerWaalsContact CD1-CZ3 3.47Å; I170-W220 HydrophobicContact CG1-CH2 3.94Å; I170-W220 HydrophobicContact CG1-CZ2 4.02Å; I170-W220 HydrophobicContact CG1-CZ3 4.25Å; I170-W220 HydrophobicContact CG2-CH2 3.75Å; I170-W220 HydrophobicContact CG2-CZ2 3.35Å; I170-L266 HydrophobicContact CG1-CB 4.14Å; I170-L266 HydrophobicContact CG1-CD1 3.68Å; I170-L266 HydrophobicContact CG1-CG 4.49Å; I170-P269 HydrophobicContact CG2-CG 4.07Å
171	K	70.8	Confident	69.5	Low	109 Å²	109	54 Å²	54	47%	0.474	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-50.2	117.2	178.4	-179.1	171.2	-178.2	-179.5	0	110.4	Q265 L266	K171-Q265 HydrophobicContact CB-CB 4.1Å; K171-L266 WeakPolarHBondContact CB-O 3.44Å; K171-L266 PolarHBondContact N-O 3.26Å
172	Q	66.7	Low	68.7	Low	55 Å²	55	56.3 Å²	56.3	26%	0.257	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-62.9	145	-177.6	-74.7	173.9	-5.9	0	0	110.9	S158 I170	S158-Q172 PolarHBondContact OG-NE2 2.65Å; I170-Q172 PolarHBondContact O-N 3Å
173	I	62.8	Low	68.1	Low	47 Å²	47	59 Å²	59	24%	0.241	32%	0.322	C	S	.	.	S	Bend	trans	-80.2	-36.4	172	-66.1	152.9	0	0	0	109.9	L175 F196 Y213 P269	I173-L175 VanDerWaalsContact C-N 3.32Å; I173-L175 PolarHBondContact O-N 3.06Å; I173-L175 VanDerWaalsContact O-N 3.11Å; I173-F196 HydrophobicContact CD1-CE1 3.96Å; I173-F196 HydrophobicContact CD1-CZ 3.44Å; I173-F196 VanDerWaalsContact CD1-CZ 3.44Å; I173-Y213 HydrophobicContact CD1-CD1 3.84Å; I173-Y213 HydrophobicContact CD1-CD2 4.34Å; I173-Y213 HydrophobicContact CD1-CE1 3.45Å; I173-Y213 VanDerWaalsContact CD1-CE1 3.45Å; I173-Y213 HydrophobicContact CD1-CE2 3.96Å; I173-Y213 HydrophobicContact CD1-CG 4.28Å; I173-Y213 HydrophobicContact CG1-CE1 3.99Å; I173-Y213 HydrophobicContact CG2-CE1 4.31Å; I173-Y213 VanDerWaalsContact CG2-OH 3.29Å; I173-Y213 WeakPolarHBondContact CG2-OH 3.4Å; I173-P269 HydrophobicContact CD1-CB 4.38Å; I173-P269 HydrophobicContact CD1-CG 4.21Å
174	N	55.6	Low	67.8	Low	20 Å²	20	58.8 Å²	58.8	11%	0.107	32%	0.32	C	S	.	.			trans	-89.2	56.9	-172.4	-61.2	-1.3	0	0	0	111.6	L157 P176 T184	L157-N174 PolarHBondContact N-ND2 3.11Å; N174-P176 WeakPolarHBondContact O-CD 3.49Å; N174-T184 PolarHBondContact ND2-OG1 3Å
175	L	50.1	Low	67.6	Low	122 Å²	122	57.5 Å²	57.5	64%	0.639	32%	0.315	S	S	*	.			trans	-80.9	112.1	161	-142.5	76.2	0	0	0	106.3	I173 S177	I173-L175 VanDerWaalsContact C-N 3.32Å; I173-L175 PolarHBondContact O-N 3.06Å; I173-L175 VanDerWaalsContact O-N 3.11Å; L175-S177 PolarHBondContact O-N 3.2Å; L175-S177 PolarHBondContact O-OG 3.15Å
176	P	44.1	Very low	67.6	Low	76 Å²	76	60 Å²	60	49%	0.494	33%	0.327	S	S	.	.			trans	-63	85.2	178.1	26.7	-33.6	0	0	0	108.8	L127 N174 D178	L127-P176 HydrophobicContact CD2-CG 4.47Å; N174-P176 WeakPolarHBondContact O-CD 3.49Å; P176-D178 VanDerWaalsContact C-N 3.31Å; P176-D178 PolarHBondContact O-N 3.2Å
177	S	49.6	Very low	67.2	Low	93 Å²	93	59.5 Å²	59.5	65%	0.65	32%	0.324	S	S	*	.			trans	-93.3	76.5	177	-47.9	0	0	0	0	105.6	L175 S179	L175-S177 PolarHBondContact O-N 3.2Å; L175-S177 PolarHBondContact O-OG 3.15Å; S177-S179 PolarHBondContact O-N 2.75Å
178	D	44.5	Very low	67	Low	163 Å²	163	62.2 Å²	62.2	87%	0.872	34%	0.336	S	S	*	.	S	Bend	trans	53.2	11.2	156.7	-82.3	-14.3	0	0	0	123.3	P176	P176-D178 VanDerWaalsContact C-N 3.31Å; P176-D178 PolarHBondContact O-N 3.2Å
179	S	51	Low	66.8	Low	110 Å²	110	63.2 Å²	63.2	77%	0.769	34%	0.341	S	S	*	.	S	Bend	trans	-151.6	-19.3	172.3	-61.7	0	0	0	0	119.9	S177	S177-S179 PolarHBondContact O-N 2.75Å
180	L	52.3	Low	66.6	Low	115 Å²	115	62.3 Å²	62.3	60%	0.602	34%	0.336	S	S	*	.			trans	-122	90.2	179.9	-83	153.2	0	0	0	109.3	Y182	L180-Y182 VanDerWaalsContact C-N 3.33Å; L180-Y182 HydrophobicContact CB-CD1 4.11Å; L180-Y182 HydrophobicContact CB-CE1 4.41Å; L180-Y182 WeakPolarHBondContact O-CD1 3.22Å; L180-Y182 PolarHBondContact O-N 3.16Å
181	L	69	Low	66	Low	120 Å²	120	65 Å²	65	63%	0.628	35%	0.353	S	S	*	.			trans	-75.3	85.9	175	-137.8	90.2	0	0	0	108	S203	L181-S203 WeakPolarHBondContact O-CB 3.4Å; L181-S203 PolarHBondContact O-N 2.78Å; L181-S203 PolarHBondContact O-OG 2.78Å
182	Y	72.2	Confident	66	Low	48 Å²	48	61.2 Å²	61.2	19%	0.188	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	155.3	168.2	66.5	-93	0	0	0	110.3	L180 N200 E201 W209	L180-Y182 VanDerWaalsContact C-N 3.33Å; L180-Y182 HydrophobicContact CB-CD1 4.11Å; L180-Y182 HydrophobicContact CB-CE1 4.41Å; L180-Y182 WeakPolarHBondContact O-CD1 3.22Å; L180-Y182 PolarHBondContact O-N 3.16Å; Y182-N200 HydrophobicContact CD2-CB 3.81Å; Y182-N200 HydrophobicContact CE2-CB 4.28Å; Y182-E201 CarbonylContact C-O 3.54Å; Y182-E201 VanDerWaalsContact CA-O 3.25Å; Y182-E201 WeakPolarHBondContact CA-O 3.45Å; Y182-E201 VanDerWaalsContact CB-O 3.28Å; Y182-E201 WeakPolarHBondContact CB-O 3.25Å; Y182-W209 HydrophobicContact CD1-CH2 4.27Å; Y182-W209 HydrophobicContact CD1-CZ2 4.05Å; Y182-W209 HydrophobicContact CD2-CZ2 4.14Å; Y182-W209 AromaticContact CG-CH2 3.95Å; Y182-W209 HydrophobicContact CG-CH2 3.95Å; Y182-W209 AromaticContact CG-CZ2 3.83Å; Y182-W209 HydrophobicContact CG-CZ2 3.83Å
183	H	75	Confident	66.4	Low	56 Å²	56	58.7 Å²	58.7	26%	0.259	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.3	179.3	66.3	-80.4	0	0	0	109.9	L185 N200 E201	H183-L185 WeakPolarHBondContact NE2-CD2 3.44Å; H183-N200 WeakPolarHBondContact O-CA 3.26Å; H183-E201 IonicContact CE1-OE2 3.53Å; H183-E201 PolarHBondContact N-O 3.02Å; H183-E201 PolarHBondContact ND1-O 3.01Å; H183-E201 IonicContact NE2-OE2 3.82Å; H183-E201 PolarHBondContact O-N 3.5Å
184	T	79.2	Confident	67.4	Low	1 Å²	1	60 Å²	60	1%	0.006	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.4	179.3	-55.5	0	0	0	0	109.6	I151 G155 L157 N174 N186 L199 N200	I151-T184 HydrophobicContact CD1-CG2 4.13Å; G155-T184 WeakPolarHBondContact CA-O 3.46Å; G155-T184 WeakPolarHBondContact O-CB 3.35Å; G155-T184 PolarHBondContact O-N 3.28Å; L157-T184 HydrophobicContact CB-CG2 4.35Å; L157-T184 HydrophobicContact CD1-CG2 4.03Å; N174-T184 PolarHBondContact ND2-OG1 3Å; T184-N186 WeakPolarHBondContact CG2-O 3.35Å; T184-L199 CarbonylContact C-O 3.55Å; T184-L199 WeakPolarHBondContact CA-O 3.16Å; T184-N200 WeakPolarHBondContact CA-OD1 3.04Å; T184-N200 WeakPolarHBondContact CB-OD1 3.41Å; T184-N200 PolarHBondContact OG1-OD1 2.74Å
185	L	73.5	Confident	68.8	Low	34 Å²	34	60.1 Å²	60.1	18%	0.178	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-40.4	179.6	-64.5	175.1	0	0	0	112.1	H183 L199 E201 Y498	H183-L185 WeakPolarHBondContact NE2-CD2 3.44Å; L185-L199 HydrophobicContact CB-CD2 4.05Å; L185-L199 HydrophobicContact CB-CG 4.06Å; L185-L199 HydrophobicContact CD1-CD2 4.25Å; L185-L199 HydrophobicContact CD1-CG 4.23Å; L185-L199 PolarHBondContact N-O 3.01Å; L185-E201 HydrophobicContact CD1-CB 3.97Å; L185-E201 HydrophobicContact CG-CB 4.21Å; L185-Y498 HydrophobicContact CD1-CD1 4.43Å; L185-Y498 HydrophobicContact CD1-CE1 4.01Å
186	N	78.5	Confident	70.6	Confident	60 Å²	60	54.3 Å²	54.3	32%	0.321	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	170.9	-177.7	-150.1	-31.3	0	0	0	110.1	K137 T184 L199	K137-N186 PolarHBondContact NZ-OD1 3.01Å; T184-N186 WeakPolarHBondContact CG2-O 3.35Å; N186-L199 HydrophobicContact CB-CB 4.45Å; N186-L199 HydrophobicContact CB-CD2 4.4Å; N186-L199 WeakPolarHBondContact O-CB 3.44Å; N186-L199 PolarHBondContact O-N 3.37Å
187	G	75.6	Confident	72.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	166.4	169	0	0	0	0	0	112.1	K137 I197	K137-G187 WeakPolarHBondContact CD-O 3.27Å; K137-G187 WeakPolarHBondContact CE-O 3.21Å; K137-G187 PolarHBondContact NZ-O 2.72Å; G187-I197 CarbonylContact C-O 3.59Å; G187-I197 WeakPolarHBondContact CA-O 3.35Å
188	K	81.7	Confident	74.3	Confident	58 Å²	58	46.3 Å²	46.3	25%	0.252	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.6	171.9	-67.5	-176.4	172.4	-176.1	0	109.5	F196 I197 F501 E502 F503	K188-F196 WeakPolarHBondContact O-CA 3.4Å; K188-I197 PolarHBondContact N-O 3.09Å; K188-I197 PolarHBondContact O-N 3.05Å; K188-F501 HydrophobicContact CB-CE2 3.97Å; K188-F501 HydrophobicContact CD-CE2 4.03Å; K188-F501 HydrophobicContact CG-CE2 4Å; K188-F501 HydrophobicContact CG-CZ 4.33Å; K188-E502 IonicContact NZ-OE1 3.44Å; K188-E502 PolarHBondContact NZ-OE1 3.47Å; K188-E502 IonicContact NZ-OE2 3.53Å; K188-E502 PolarHBondContact NZ-OE2 2.97Å; K188-F503 HydrophobicContact CB-CE2 4.02Å
189	I	82	Confident	76.2	Confident	20 Å²	20	39.3 Å²	39.3	10%	0.103	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.3	168.5	-54.1	169.9	0	0	0	107.3	I139 L147 L149 F196 L215	I139-I189 HydrophobicContact CG2-CB 4.02Å; I139-I189 HydrophobicContact CG2-CD1 4.1Å; I139-I189 HydrophobicContact CG2-CG2 3.6Å; L147-I189 HydrophobicContact CB-CD1 4.11Å; L149-I189 HydrophobicContact CB-CD1 4.04Å; L149-I189 HydrophobicContact CB-CG1 4.27Å; I189-F196 HydrophobicContact CG1-CB 4.33Å; I189-L215 HydrophobicContact CG2-CD1 4.28Å
190	S	81.4	Confident	77.8	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.			trans	-61.7	147.7	176.4	63.8	0	0	0	0	110.8	I139 C192 G193 K194 Y195	I139-S190 WeakPolarHBondContact CD1-O 3.18Å; S190-C192 PolarHBondContact O-N 3.27Å; S190-C192 PolarHBondContact OG-SG 2.85Å; S190-C192 VanDerWaalsContact OG-SG 3.34Å; S190-G193 WeakPolarHBondContact O-CA 3.41Å; S190-G193 PolarHBondContact O-N 3.06Å; S190-G193 PolarHBondContact OG-N 3.33Å; S190-K194 PolarHBondContact OG-N 3.4Å; S190-Y195 WeakPolarHBondContact CB-O 3.5Å; S190-Y195 PolarHBondContact N-O 3.03Å; S190-Y195 PolarHBondContact OG-N 3.44Å; S190-Y195 PolarHBondContact OG-O 3.02Å
191	P	70.4	Confident	79.3	Confident	58 Å²	58	29.2 Å²	29.2	38%	0.377	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-29.4	177.4	-29.4	35.9	0	0	0	115.1	I139 G193 Y572	I139-P191 VanDerWaalsContact CD1-CA 3.43Å; I139-P191 WeakPolarHBondContact CD1-O 3.47Å; P191-G193 VanDerWaalsContact C-N 3.32Å; P191-Y572 WeakPolarHBondContact CG-OH 3.45Å
192	C	70.7	Confident	79.8	Confident	30 Å²	30	24.2 Å²	24.2	20%	0.203	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-1.4	177.2	64.9	0	0	0	0	114.3	Y141 S190 K194 Y525	Y141-C192 WeakPolarHBondContact CD2-O 3.26Å; Y141-C192 WeakPolarHBondContact CE2-O 2.96Å; S190-C192 PolarHBondContact O-N 3.27Å; S190-C192 PolarHBondContact OG-SG 2.85Å; S190-C192 VanDerWaalsContact OG-SG 3.34Å; C192-K194 PolarHBondContact O-N 3Å; C192-K194 VanDerWaalsContact O-N 3.13Å; C192-Y525 HydrophobicContact CB-CD1 4.26Å; C192-Y525 HydrophobicContact CB-CD2 3.87Å; C192-Y525 HydrophobicContact CB-CE1 4.48Å; C192-Y525 HydrophobicContact CB-CE2 4.12Å; C192-Y525 HydrophobicContact CB-CG 3.94Å; C192-Y525 WeakPolarHBondContact SG-CD1 3.49Å; C192-Y525 VanDerWaalsContact SG-CE1 3.52Å
193	G	76	Confident	80.1	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.01	13%	0.13	C	C	.	.	S	Bend	trans	62.6	13.2	-177.7	0	0	0	0	0	116.1	L147 S190 P191 L215 V217	L147-G193 WeakPolarHBondContact CD1-O 3.31Å; S190-G193 WeakPolarHBondContact O-CA 3.41Å; S190-G193 PolarHBondContact O-N 3.06Å; S190-G193 PolarHBondContact OG-N 3.33Å; P191-G193 VanDerWaalsContact C-N 3.32Å; G193-L215 WeakPolarHBondContact O-CD1 3.3Å; G193-V217 WeakPolarHBondContact O-CG2 3.3Å
194	K	83.3	Confident	80.1	Confident	75 Å²	75	28.7 Å²	28.7	33%	0.326	15%	0.153	S	C	.	.	S	Bend	trans	-95.7	-14.1	-179.5	-64.6	-172.1	179.6	-174.8	0	114.3	Y141 S190 C192 L215	Y141-K194 HydrophobicContact CE2-CG 4.39Å; S190-K194 PolarHBondContact OG-N 3.4Å; C192-K194 PolarHBondContact O-N 3Å; C192-K194 VanDerWaalsContact O-N 3.13Å; K194-L215 PolarHBondContact O-N 3.24Å
195	Y	84.9	Confident	79.9	Confident	22 Å²	22	32.1 Å²	32.1	9%	0.086	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.9	-179	-54.5	-88.2	0	0	0	110.4	S190 Y213 R214 L272 Y525 L544	S190-Y195 WeakPolarHBondContact CB-O 3.5Å; S190-Y195 PolarHBondContact N-O 3.03Å; S190-Y195 PolarHBondContact OG-N 3.44Å; S190-Y195 PolarHBondContact OG-O 3.02Å; Y195-Y213 WeakPolarHBondContact CA-O 3.34Å; Y195-R214 HydrophobicContact CD1-CB 4.27Å; Y195-R214 HydrophobicContact CD1-CG 4.42Å; Y195-R214 HydrophobicContact CE1-CB 4.3Å; Y195-R214 HydrophobicContact CE1-CG 4.14Å; Y195-L272 HydrophobicContact CD1-CD1 3.89Å; Y195-L272 HydrophobicContact CE1-CD1 3.82Å; Y195-Y525 HydrophobicContact CE2-CD1 4.16Å; Y195-L544 HydrophobicContact CD1-CD1 4.23Å; Y195-L544 HydrophobicContact CD1-CD2 4.08Å; Y195-L544 HydrophobicContact CD2-CD1 3.66Å; Y195-L544 HydrophobicContact CE1-CB 4.15Å; Y195-L544 HydrophobicContact CE1-CD1 4.36Å; Y195-L544 HydrophobicContact CE1-CD2 4.4Å; Y195-L544 HydrophobicContact CE2-CD1 3.8Å; Y195-L544 HydrophobicContact CG-CD1 3.88Å; Y195-L544 HydrophobicContact CG-CD2 4.33Å
196	F	87.5	Confident	80	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	154.9	164.2	89.7	-90.4	0	0	0	110.1	L149 L157 L159 I173 K188 I189 Y213 L215 P269	L149-F196 HydrophobicContact CD1-CD2 4.49Å; L157-F196 HydrophobicContact CD2-CD2 4.43Å; L157-F196 HydrophobicContact CD2-CE2 3.54Å; L157-F196 HydrophobicContact CD2-CZ 4Å; L159-F196 HydrophobicContact CD1-CD1 3.81Å; L159-F196 HydrophobicContact CD1-CE1 3.54Å; L159-F196 HydrophobicContact CD1-CG 4.45Å; L159-F196 HydrophobicContact CD1-CZ 4.06Å; I173-F196 HydrophobicContact CD1-CE1 3.96Å; I173-F196 HydrophobicContact CD1-CZ 3.44Å; I173-F196 VanDerWaalsContact CD1-CZ 3.44Å; K188-F196 WeakPolarHBondContact O-CA 3.4Å; I189-F196 HydrophobicContact CG1-CB 4.33Å; F196-Y213 HydrophobicContact CD1-CD2 4.23Å; F196-Y213 HydrophobicContact CD1-CG 4.04Å; F196-Y213 HydrophobicContact CD2-CD2 4.29Å; F196-Y213 HydrophobicContact CE1-CD1 4.01Å; F196-Y213 AromaticContact CE1-CD2 3.48Å; F196-Y213 HydrophobicContact CE1-CD2 3.48Å; F196-Y213 VanDerWaalsContact CE1-CD2 3.48Å; F196-Y213 HydrophobicContact CE1-CE2 4.35Å; F196-Y213 AromaticContact CE1-CG 3.27Å; F196-Y213 HydrophobicContact CE1-CG 3.27Å; F196-Y213 AromaticContact CE2-CD2 3.47Å; F196-Y213 HydrophobicContact CE2-CD2 3.47Å; F196-Y213 VanDerWaalsContact CE2-CD2 3.47Å; F196-Y213 AromaticContact CE2-CE2 3.98Å; F196-Y213 HydrophobicContact CE2-CE2 3.98Å; F196-Y213 HydrophobicContact CE2-CG 4.18Å; F196-Y213 HydrophobicContact CZ-CD1 4.1Å; F196-Y213 AromaticContact CZ-CD2 3.02Å; F196-Y213 HydrophobicContact CZ-CD2 3.02Å; F196-Y213 AromaticContact CZ-CE2 3.56Å; F196-Y213 HydrophobicContact CZ-CE2 3.56Å; F196-Y213 AromaticContact CZ-CG 3.35Å; F196-Y213 HydrophobicContact CZ-CG 3.35Å; F196-Y213 PolarHBondContact N-O 3.01Å; F196-Y213 PolarHBondContact O-N 2.77Å; F196-L215 HydrophobicContact CB-CD1 4.42Å; F196-L215 HydrophobicContact CD1-CD2 3.42Å; F196-L215 VanDerWaalsContact CD1-CD2 3.42Å; F196-L215 HydrophobicContact CD1-CG 4.17Å; F196-L215 HydrophobicContact CE1-CD2 4.01Å; F196-L215 HydrophobicContact CG-CD2 4.47Å; F196-P269 HydrophobicContact CE1-CB 3.87Å; F196-P269 HydrophobicContact CE1-CG 4.07Å
197	I	85.3	Confident	80.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.7	175.6	-61.8	163.8	0	0	0	108.2	G187 K188 L210 E211 V212 F501 F503 I529	G187-I197 CarbonylContact C-O 3.59Å; G187-I197 WeakPolarHBondContact CA-O 3.35Å; K188-I197 PolarHBondContact N-O 3.09Å; K188-I197 PolarHBondContact O-N 3.05Å; I197-L210 HydrophobicContact CG2-CB 4.08Å; I197-L210 HydrophobicContact CG2-CD2 3.94Å; I197-L210 HydrophobicContact CG2-CG 4.45Å; I197-E211 VanDerWaalsContact CA-O 3.29Å; I197-E211 WeakPolarHBondContact CA-O 3.47Å; I197-V212 HydrophobicContact CG1-CG1 4.34Å; I197-V212 HydrophobicContact CG1-CG2 4.24Å; I197-F501 HydrophobicContact CB-CD2 4.29Å; I197-F501 HydrophobicContact CB-CE2 3.76Å; I197-F501 HydrophobicContact CB-CZ 4.26Å; I197-F501 HydrophobicContact CD1-CD2 3.69Å; I197-F501 HydrophobicContact CD1-CE2 3.97Å; I197-F501 HydrophobicContact CG2-CD2 4.08Å; I197-F501 HydrophobicContact CG2-CE1 4.35Å; I197-F501 HydrophobicContact CG2-CE2 3.71Å; I197-F501 HydrophobicContact CG2-CZ 3.86Å; I197-F503 HydrophobicContact CB-CZ 4.33Å; I197-F503 HydrophobicContact CD1-CD1 4.25Å; I197-F503 HydrophobicContact CD1-CE1 3.55Å; I197-F503 HydrophobicContact CD1-CE2 3.87Å; I197-F503 HydrophobicContact CD1-CZ 3.36Å; I197-F503 HydrophobicContact CG1-CE1 3.97Å; I197-F503 HydrophobicContact CG1-CE2 4.28Å; I197-F503 HydrophobicContact CG1-CZ 3.52Å; I197-I529 HydrophobicContact CD1-CD1 3.51Å; I197-I529 HydrophobicContact CD1-CG1 3.88Å; I197-I529 HydrophobicContact CD1-CG2 3.78Å; I197-I529 HydrophobicContact CG1-CD1 4.03Å
198	S	86.8	Confident	80.4	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.8	166.7	49.1	0	0	0	0	110.9	L210 E211	S198-L210 CarbonylContact O-C 3.58Å; S198-L210 VanDerWaalsContact O-CA 3.31Å; S198-L210 WeakPolarHBondContact O-CA 3.43Å; S198-E211 PolarHBondContact N-O 3.33Å; S198-E211 PolarHBondContact O-N 3.38Å; S198-E211 WeakPolarHBondContact OG-CB 3.37Å
199	L	83.2	Confident	80.6	Confident	15 Å²	15	35.4 Å²	35.4	8%	0.079	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113.4	170.5	173	60.5	0	0	0	108.4	T184 L185 N186 I208 L210 P499 F501	T184-L199 CarbonylContact C-O 3.55Å; T184-L199 WeakPolarHBondContact CA-O 3.16Å; L185-L199 HydrophobicContact CB-CD2 4.05Å; L185-L199 HydrophobicContact CB-CG 4.06Å; L185-L199 HydrophobicContact CD1-CD2 4.25Å; L185-L199 HydrophobicContact CD1-CG 4.23Å; L185-L199 PolarHBondContact N-O 3.01Å; N186-L199 HydrophobicContact CB-CB 4.45Å; N186-L199 HydrophobicContact CB-CD2 4.4Å; N186-L199 WeakPolarHBondContact O-CB 3.44Å; N186-L199 PolarHBondContact O-N 3.37Å; L199-I208 HydrophobicContact CD1-CG2 3.36Å; L199-I208 HydrophobicContact CG-CG2 4.39Å; L199-L210 HydrophobicContact CB-CD2 3.96Å; L199-L210 HydrophobicContact CD1-CD2 3.7Å; L199-L210 HydrophobicContact CG-CD2 4.42Å; L199-P499 HydrophobicContact CD1-CG 3.39Å; L199-F501 HydrophobicContact CB-CE1 4.44Å
200	N	86	Confident	80.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.8	-175.4	-61.8	-33.1	0	0	0	111.5	Y182 H183 T184 I208 W209 E211	Y182-N200 HydrophobicContact CD2-CB 3.81Å; Y182-N200 HydrophobicContact CE2-CB 4.28Å; H183-N200 WeakPolarHBondContact O-CA 3.26Å; T184-N200 WeakPolarHBondContact CA-OD1 3.04Å; T184-N200 WeakPolarHBondContact CB-OD1 3.41Å; T184-N200 PolarHBondContact OG1-OD1 2.74Å; N200-I208 WeakPolarHBondContact O-CA 3.47Å; N200-W209 HydrophobicContact CB-CD2 4.39Å; N200-W209 HydrophobicContact CB-CZ2 3.97Å; N200-W209 PolarHBondContact N-O 2.83Å; N200-W209 PolarHBondContact O-N 2.91Å; N200-E211 PolarHBondContact ND2-OE2 3.33Å
201	E	82.3	Confident	81	Confident	13 Å²	13	34.5 Å²	34.5	6%	0.061	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.8	172.4	179.7	173.8	-168.9	0	0	110.1	Y182 H183 L185 S206 K207 I208 K496	Y182-E201 CarbonylContact C-O 3.54Å; Y182-E201 VanDerWaalsContact CA-O 3.25Å; Y182-E201 WeakPolarHBondContact CA-O 3.45Å; Y182-E201 VanDerWaalsContact CB-O 3.28Å; Y182-E201 WeakPolarHBondContact CB-O 3.25Å; H183-E201 IonicContact CE1-OE2 3.53Å; H183-E201 PolarHBondContact N-O 3.02Å; H183-E201 PolarHBondContact ND1-O 3.01Å; H183-E201 IonicContact NE2-OE2 3.82Å; H183-E201 PolarHBondContact O-N 3.5Å; L185-E201 HydrophobicContact CD1-CB 3.97Å; L185-E201 HydrophobicContact CG-CB 4.21Å; E201-S206 WeakPolarHBondContact OE1-CB 3.27Å; E201-K207 WeakPolarHBondContact CA-O 3.41Å; E201-I208 HydrophobicContact CB-CG1 4.15Å; E201-I208 HydrophobicContact CG-CG1 4.01Å; E201-K496 IonicContact OE1-NZ 3.89Å; E201-K496 PolarHBondContact OE1-NZ 3.05Å
202	D	81.6	Confident	81.8	Confident	15 Å²	15	31.8 Å²	31.8	8%	0.08	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.8	173.2	173.4	-6.3	0	0	0	110.2	I204 N205 S206 K207 W209	D202-I204 VanDerWaalsContact C-N 3.25Å; D202-I204 PolarHBondContact O-N 2.84Å; D202-I204 PolarHBondContact OD1-N 3.38Å; D202-N205 WeakPolarHBondContact CB-OD1 3.47Å; D202-N205 PolarHBondContact OD2-ND2 3.36Å; D202-N205 PolarHBondContact OD2-OD1 2.82Å; D202-S206 WeakPolarHBondContact O-CA 3.1Å; D202-S206 PolarHBondContact O-N 2.92Å; D202-K207 PolarHBondContact N-O 2.82Å; D202-W209 HydrophobicContact CB-CH2 3.74Å; D202-W209 HydrophobicContact CB-CZ3 3.52Å
203	S	77.1	Confident	82.5	Confident	55 Å²	55	30.7 Å²	30.7	39%	0.385	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.5	-174.3	-48.5	0	0	0	0	112.9	L181	L181-S203 WeakPolarHBondContact O-CB 3.4Å; L181-S203 PolarHBondContact O-N 2.78Å; L181-S203 PolarHBondContact O-OG 2.78Å
204	I	75.9	Confident	83.1	Confident	144 Å²	144	37.2 Å²	37.2	74%	0.738	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-52.9	-174.2	-57.9	173.1	0	0	0	110.8	D202	D202-I204 VanDerWaalsContact C-N 3.25Å; D202-I204 PolarHBondContact O-N 2.84Å; D202-I204 PolarHBondContact OD1-N 3.38Å
205	N	74.8	Confident	83.2	Confident	72 Å²	72	34 Å²	34	39%	0.385	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-2.6	-174.2	64.4	27.1	0	0	0	113.3	D202 K207	D202-N205 WeakPolarHBondContact CB-OD1 3.47Å; D202-N205 PolarHBondContact OD2-ND2 3.36Å; D202-N205 PolarHBondContact OD2-OD1 2.82Å; N205-K207 HydrophobicContact CB-CD 4.45Å; N205-K207 HydrophobicContact CB-CG 4.19Å; N205-K207 PolarHBondContact O-N 3.1Å; N205-K207 WeakPolarHBondContact OD1-CB 3.43Å; N205-K207 VanDerWaalsContact OD1-CG 3.28Å; N205-K207 WeakPolarHBondContact OD1-CG 3.18Å; N205-K207 PolarHBondContact OD1-N 3.2Å
206	S	74.3	Confident	83.3	Confident	49 Å²	49	34.2 Å²	34.2	34%	0.343	17%	0.172	S	C	.	.			trans	51.5	28.1	-175.6	-64.1	0	0	0	0	113.4	E201 D202 K496	E201-S206 WeakPolarHBondContact OE1-CB 3.27Å; D202-S206 WeakPolarHBondContact O-CA 3.1Å; D202-S206 PolarHBondContact O-N 2.92Å; S206-K496 PolarHBondContact OG-NZ 3.25Å
207	K	80.9	Confident	83.1	Confident	136 Å²	136	34.3 Å²	34.3	59%	0.591	17%	0.172	S	C	*	.			trans	-79.8	138.8	173.9	-69.1	-179.8	-174.8	175.8	0	108.8	E201 D202 N205 W209	E201-K207 WeakPolarHBondContact CA-O 3.41Å; D202-K207 PolarHBondContact N-O 2.82Å; N205-K207 HydrophobicContact CB-CD 4.45Å; N205-K207 HydrophobicContact CB-CG 4.19Å; N205-K207 PolarHBondContact O-N 3.1Å; N205-K207 WeakPolarHBondContact OD1-CB 3.43Å; N205-K207 VanDerWaalsContact OD1-CG 3.28Å; N205-K207 WeakPolarHBondContact OD1-CG 3.18Å; N205-K207 PolarHBondContact OD1-N 3.2Å; K207-W209 VanDerWaalsContact O-CZ3 3.24Å; K207-W209 WeakPolarHBondContact O-CZ3 3.48Å
208	I	82.8	Confident	83.1	Confident	15 Å²	15	39.2 Å²	39.2	8%	0.077	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.7	-175.7	-55	177.7	0	0	0	108.8	L199 N200 E201 Y498 P499	L199-I208 HydrophobicContact CD1-CG2 3.36Å; L199-I208 HydrophobicContact CG-CG2 4.39Å; N200-I208 WeakPolarHBondContact O-CA 3.47Å; E201-I208 HydrophobicContact CB-CG1 4.15Å; E201-I208 HydrophobicContact CG-CG1 4.01Å; I208-Y498 HydrophobicContact CD1-CD1 3.39Å; I208-Y498 HydrophobicContact CD1-CE1 3.25Å; I208-Y498 HydrophobicContact CD1-CG 4.14Å; I208-P499 HydrophobicContact CG2-CG 4.07Å
209	W	84.8	Confident	83	Confident	22 Å²	22	42.4 Å²	42.4	8%	0.083	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	160.9	173.7	67	95.1	0	0	0	111	Y182 N200 D202 K207 E211 I275 K276	Y182-W209 HydrophobicContact CD1-CH2 4.27Å; Y182-W209 HydrophobicContact CD1-CZ2 4.05Å; Y182-W209 HydrophobicContact CD2-CZ2 4.14Å; Y182-W209 AromaticContact CG-CH2 3.95Å; Y182-W209 HydrophobicContact CG-CH2 3.95Å; Y182-W209 AromaticContact CG-CZ2 3.83Å; Y182-W209 HydrophobicContact CG-CZ2 3.83Å; N200-W209 HydrophobicContact CB-CD2 4.39Å; N200-W209 HydrophobicContact CB-CZ2 3.97Å; N200-W209 PolarHBondContact N-O 2.83Å; N200-W209 PolarHBondContact O-N 2.91Å; D202-W209 HydrophobicContact CB-CH2 3.74Å; D202-W209 HydrophobicContact CB-CZ3 3.52Å; K207-W209 VanDerWaalsContact O-CZ3 3.24Å; K207-W209 WeakPolarHBondContact O-CZ3 3.48Å; W209-E211 PolarHBondContact NE1-OE1 2.9Å; W209-I275 WeakPolarHBondContact CA-O 2.97Å; W209-I275 WeakPolarHBondContact CB-O 2.93Å; W209-K276 HydrophobicContact CB-CG 3.93Å
210	L	86.3	Confident	83.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.2	169.8	-58.7	169.5	0	0	0	109.3	I197 S198 L199 R274 I275 P499 F501 V531	I197-L210 HydrophobicContact CG2-CB 4.08Å; I197-L210 HydrophobicContact CG2-CD2 3.94Å; I197-L210 HydrophobicContact CG2-CG 4.45Å; S198-L210 CarbonylContact O-C 3.58Å; S198-L210 VanDerWaalsContact O-CA 3.31Å; S198-L210 WeakPolarHBondContact O-CA 3.43Å; L199-L210 HydrophobicContact CB-CD2 3.96Å; L199-L210 HydrophobicContact CD1-CD2 3.7Å; L199-L210 HydrophobicContact CG-CD2 4.42Å; L210-R274 CarbonylContact O-C 3.57Å; L210-R274 VanDerWaalsContact O-CA 3.27Å; L210-R274 WeakPolarHBondContact O-CA 3.5Å; L210-I275 HydrophobicContact CB-CB 4.18Å; L210-I275 PolarHBondContact N-O 3.35Å; L210-I275 PolarHBondContact O-N 2.77Å; L210-P499 HydrophobicContact CD1-CB 4.1Å; L210-P499 HydrophobicContact CD1-CG 4.44Å; L210-P499 HydrophobicContact CD2-CB 4.48Å; L210-P499 HydrophobicContact CD2-CG 4Å; L210-P499 HydrophobicContact CG-CB 4.22Å; L210-P499 HydrophobicContact CG-CG 4.02Å; L210-F501 HydrophobicContact CD1-CB 4.13Å; L210-F501 HydrophobicContact CD1-CD1 4Å; L210-F501 HydrophobicContact CD1-CG 4.21Å; L210-F501 HydrophobicContact CD2-CD1 3.56Å; L210-F501 HydrophobicContact CD2-CE1 3.57Å; L210-F501 HydrophobicContact CD2-CG 4.39Å; L210-F501 HydrophobicContact CD2-CZ 4.4Å; L210-F501 HydrophobicContact CG-CD1 4.46Å; L210-V531 HydrophobicContact CD1-CG1 3.75Å; L210-V531 HydrophobicContact CD1-CG2 3.92Å
211	E	86.4	Confident	83.2	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.4	166.9	-80.4	168.3	177.4	0	0	109.5	I197 S198 N200 W209 Y213 L271 R274	I197-E211 VanDerWaalsContact CA-O 3.29Å; I197-E211 WeakPolarHBondContact CA-O 3.47Å; S198-E211 PolarHBondContact N-O 3.33Å; S198-E211 PolarHBondContact O-N 3.38Å; S198-E211 WeakPolarHBondContact OG-CB 3.37Å; N200-E211 PolarHBondContact ND2-OE2 3.33Å; W209-E211 PolarHBondContact NE1-OE1 2.9Å; E211-Y213 HydrophobicContact CB-CD2 4.15Å; E211-Y213 HydrophobicContact CB-CE2 3.39Å; E211-Y213 HydrophobicContact CG-CE2 4.38Å; E211-Y213 PolarHBondContact OE2-OH 2.91Å; E211-L271 HydrophobicContact CB-CD1 4.01Å; E211-L271 HydrophobicContact CG-CD1 4.05Å; E211-R274 HydrophobicContact CG-CG 3.62Å; E211-R274 IonicContact OE1-CZ 3.95Å; E211-R274 VanDerWaalsContact OE1-CZ 3.22Å; E211-R274 IonicContact OE1-NE 2.67Å; E211-R274 PolarHBondContact OE1-NE 2.88Å; E211-R274 IonicContact OE1-NH2 4Å; E211-R274 PolarHBondContact OE1-NH2 2.8Å
212	V	86.6	Confident	83.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.4	179.2	-172	0	0	0	0	108.4	I197 L272 G273 I275 I529 L544 F547	I197-V212 HydrophobicContact CG1-CG1 4.34Å; I197-V212 HydrophobicContact CG1-CG2 4.24Å; V212-L272 HydrophobicContact CG1-CD1 4.31Å; V212-L272 WeakPolarHBondContact O-CB 3.47Å; V212-L272 PolarHBondContact O-N 3.22Å; V212-G273 PolarHBondContact N-O 3.32Å; V212-G273 PolarHBondContact O-N 2.81Å; V212-I275 HydrophobicContact CG2-CD1 3.97Å; V212-I275 HydrophobicContact CG2-CG1 4.45Å; V212-I529 HydrophobicContact CB-CD1 4.35Å; V212-I529 HydrophobicContact CG1-CD1 3.67Å; V212-I529 HydrophobicContact CG2-CD1 3.68Å; V212-L544 HydrophobicContact CG1-CD2 3.71Å; V212-F547 HydrophobicContact CB-CE1 4.16Å; V212-F547 HydrophobicContact CB-CZ 4.12Å; V212-F547 HydrophobicContact CG1-CE2 4.48Å; V212-F547 HydrophobicContact CG1-CZ 4.32Å; V212-F547 HydrophobicContact CG2-CE1 4.01Å; V212-F547 HydrophobicContact CG2-CZ 3.77Å
213	Y	86.9	Confident	83.5	Confident	8 Å²	8	53.9 Å²	53.9	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.8	-178.3	-69.3	-93.1	0	0	0	111.3	I173 Y195 F196 E211 P269 V270 L271	I173-Y213 HydrophobicContact CD1-CD1 3.84Å; I173-Y213 HydrophobicContact CD1-CD2 4.34Å; I173-Y213 HydrophobicContact CD1-CE1 3.45Å; I173-Y213 VanDerWaalsContact CD1-CE1 3.45Å; I173-Y213 HydrophobicContact CD1-CE2 3.96Å; I173-Y213 HydrophobicContact CD1-CG 4.28Å; I173-Y213 HydrophobicContact CG1-CE1 3.99Å; I173-Y213 HydrophobicContact CG2-CE1 4.31Å; I173-Y213 VanDerWaalsContact CG2-OH 3.29Å; I173-Y213 WeakPolarHBondContact CG2-OH 3.4Å; Y195-Y213 WeakPolarHBondContact CA-O 3.34Å; F196-Y213 HydrophobicContact CD1-CD2 4.23Å; F196-Y213 HydrophobicContact CD1-CG 4.04Å; F196-Y213 HydrophobicContact CD2-CD2 4.29Å; F196-Y213 HydrophobicContact CE1-CD1 4.01Å; F196-Y213 AromaticContact CE1-CD2 3.48Å; F196-Y213 HydrophobicContact CE1-CD2 3.48Å; F196-Y213 VanDerWaalsContact CE1-CD2 3.48Å; F196-Y213 HydrophobicContact CE1-CE2 4.35Å; F196-Y213 AromaticContact CE1-CG 3.27Å; F196-Y213 HydrophobicContact CE1-CG 3.27Å; F196-Y213 AromaticContact CE2-CD2 3.47Å; F196-Y213 HydrophobicContact CE2-CD2 3.47Å; F196-Y213 VanDerWaalsContact CE2-CD2 3.47Å; F196-Y213 AromaticContact CE2-CE2 3.98Å; F196-Y213 HydrophobicContact CE2-CE2 3.98Å; F196-Y213 HydrophobicContact CE2-CG 4.18Å; F196-Y213 HydrophobicContact CZ-CD1 4.1Å; F196-Y213 AromaticContact CZ-CD2 3.02Å; F196-Y213 HydrophobicContact CZ-CD2 3.02Å; F196-Y213 AromaticContact CZ-CE2 3.56Å; F196-Y213 HydrophobicContact CZ-CE2 3.56Å; F196-Y213 AromaticContact CZ-CG 3.35Å; F196-Y213 HydrophobicContact CZ-CG 3.35Å; F196-Y213 PolarHBondContact N-O 3.01Å; F196-Y213 PolarHBondContact O-N 2.77Å; E211-Y213 HydrophobicContact CB-CD2 4.15Å; E211-Y213 HydrophobicContact CB-CE2 3.39Å; E211-Y213 HydrophobicContact CG-CE2 4.38Å; E211-Y213 PolarHBondContact OE2-OH 2.91Å; Y213-P269 HydrophobicContact CD1-CB 4.03Å; Y213-P269 HydrophobicContact CG-CB 4.47Å; Y213-V270 CarbonylContact C-O 3.51Å; Y213-V270 WeakPolarHBondContact CA-O 3.33Å; Y213-L271 VanDerWaalsContact CD1-CA 3.48Å; Y213-L271 HydrophobicContact CD1-CB 3.96Å; Y213-L271 HydrophobicContact CD1-CD1 4.2Å; Y213-L271 HydrophobicContact CD2-CD1 4.45Å; Y213-L271 HydrophobicContact CE1-CB 3.6Å; Y213-L271 HydrophobicContact CE1-CD1 3.73Å; Y213-L271 HydrophobicContact CE1-CG 4.22Å; Y213-L271 HydrophobicContact CE2-CD1 4.05Å
214	R	87.1	Confident	83.8	Confident	138 Å²	138	51.3 Å²	51.3	52%	0.521	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.2	167	-174.4	174.4	178.4	163.9	0.1	109.6	Y195 P216 V270 L272	Y195-R214 HydrophobicContact CD1-CB 4.27Å; Y195-R214 HydrophobicContact CD1-CG 4.42Å; Y195-R214 HydrophobicContact CE1-CB 4.3Å; Y195-R214 HydrophobicContact CE1-CG 4.14Å; R214-P216 WeakPolarHBondContact O-CD 3.19Å; R214-V270 HydrophobicContact CB-CB 4.42Å; R214-V270 PolarHBondContact N-O 3.02Å; R214-V270 PolarHBondContact O-N 3.27Å; R214-L272 HydrophobicContact CB-CD1 4Å; R214-L272 HydrophobicContact CB-CD2 3.97Å; R214-L272 HydrophobicContact CB-CG 3.93Å
215	L	86.9	Confident	84.3	Confident	7 Å²	7	49 Å²	49	4%	0.037	24%	0.239	C	C	.	.			trans	-90.3	113.9	176.9	-60.1	-175.4	0	0	0	109.3	L147 L159 I189 G193 K194 F196 V217 W220 P269	L147-L215 HydrophobicContact CD1-CD1 4.09Å; L159-L215 HydrophobicContact CD1-CD2 4.11Å; I189-L215 HydrophobicContact CG2-CD1 4.28Å; G193-L215 WeakPolarHBondContact O-CD1 3.3Å; K194-L215 PolarHBondContact O-N 3.24Å; F196-L215 HydrophobicContact CB-CD1 4.42Å; F196-L215 HydrophobicContact CD1-CD2 3.42Å; F196-L215 VanDerWaalsContact CD1-CD2 3.42Å; F196-L215 HydrophobicContact CD1-CG 4.17Å; F196-L215 HydrophobicContact CE1-CD2 4.01Å; F196-L215 HydrophobicContact CG-CD2 4.47Å; L215-V217 HydrophobicContact CB-CG2 3.83Å; L215-V217 PolarHBondContact O-N 3.39Å; L215-W220 HydrophobicContact CB-CH2 4.2Å; L215-W220 HydrophobicContact CB-CZ3 4.03Å; L215-W220 HydrophobicContact CD2-CH2 3.65Å; L215-W220 HydrophobicContact CD2-CZ3 4.14Å; L215-W220 HydrophobicContact CG-CH2 4.45Å; L215-W220 HydrophobicContact CG-CZ3 4.5Å; L215-P269 HydrophobicContact CD2-CB 4.03Å; L215-P269 HydrophobicContact CD2-CG 4.13Å
216	P	86.2	Confident	84.6	Confident	27 Å²	27	49 Å²	49	18%	0.175	24%	0.243	C	C	.	.			trans	-80.2	56.4	177.7	35.3	-36.4	0	0	0	110.9	R214 D218 V219 W220	R214-P216 WeakPolarHBondContact O-CD 3.19Å; P216-D218 PolarHBondContact O-N 2.94Å; P216-D218 VanDerWaalsContact O-N 3.16Å; P216-V219 HydrophobicContact CB-CB 4.18Å; P216-V219 HydrophobicContact CB-CG2 4.05Å; P216-V219 WeakPolarHBondContact O-CA 3.46Å; P216-V219 WeakPolarHBondContact O-CB 3.49Å; P216-V219 PolarHBondContact O-N 2.98Å; P216-W220 HydrophobicContact CG-CD2 4.44Å; P216-W220 HydrophobicContact CG-CZ2 4.06Å; P216-W220 PolarHBondContact O-N 2.83Å; P216-W220 VanDerWaalsContact O-N 3.08Å
217	V	83.7	Confident	85.1	Confident	2 Å²	2	47 Å²	47	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-55.7	-37.7	-174.6	-174.5	0	0	0	0	111.6	Y141 L147 M161 G193 L215 V219 W220 M221	Y141-V217 HydrophobicContact CD1-CG1 3.82Å; Y141-V217 HydrophobicContact CE1-CB 4.42Å; Y141-V217 HydrophobicContact CE1-CG1 3.57Å; Y141-V217 HydrophobicContact CE2-CB 4.5Å; Y141-V217 HydrophobicContact CE2-CG1 4.32Å; Y141-V217 HydrophobicContact CE2-CG2 4.49Å; Y141-V217 HydrophobicContact CG-CG1 4.29Å; L147-V217 HydrophobicContact CD1-CG2 4.2Å; M161-V217 HydrophobicContact CE-CG1 4.23Å; G193-V217 WeakPolarHBondContact O-CG2 3.3Å; L215-V217 HydrophobicContact CB-CG2 3.83Å; L215-V217 PolarHBondContact O-N 3.39Å; V217-V219 PolarHBondContact O-N 2.76Å; V217-W220 HydrophobicContact CB-CE3 4.37Å; V217-W220 HydrophobicContact CG2-CE3 4.01Å; V217-W220 HydrophobicContact CG2-CZ3 4.19Å; V217-W220 WeakPolarHBondContact O-CB 3.44Å; V217-W220 PolarHBondContact O-N 2.84Å; V217-M221 HydrophobicContact CG1-CG 4.28Å; V217-M221 VanDerWaalsContact O-CG 3.32Å; V217-M221 WeakPolarHBondContact O-CG 3.03Å; V217-M221 PolarHBondContact O-N 2.77Å
218	D	84	Confident	85.1	Confident	103 Å²	103	41.1 Å²	41.1	55%	0.551	20%	0.204	S	C	*	.	H	α-helix	trans	-62.5	-30.1	177	-56.8	-43	0	0	0	113.4	P216 K222	P216-D218 PolarHBondContact O-N 2.94Å; P216-D218 VanDerWaalsContact O-N 3.16Å; D218-K222 WeakPolarHBondContact O-CG 3.38Å
219	V	86.2	Confident	85	Confident	69 Å²	69	45 Å²	45	42%	0.418	22%	0.222	S	C	.	.	H	α-helix	trans	-77.7	-45	175.7	-175.4	0	0	0	0	109.4	P216 V217 M221 K222 E223	P216-V219 HydrophobicContact CB-CB 4.18Å; P216-V219 HydrophobicContact CB-CG2 4.05Å; P216-V219 WeakPolarHBondContact O-CA 3.46Å; P216-V219 WeakPolarHBondContact O-CB 3.49Å; P216-V219 PolarHBondContact O-N 2.98Å; V217-V219 PolarHBondContact O-N 2.76Å; V219-M221 VanDerWaalsContact C-N 3.3Å; V219-M221 PolarHBondContact O-N 2.89Å; V219-K222 WeakPolarHBondContact O-CA 3.26Å; V219-K222 WeakPolarHBondContact O-CB 3.42Å; V219-K222 PolarHBondContact O-N 3.24Å; V219-E223 WeakPolarHBondContact CG1-OE1 3.3Å; V219-E223 PolarHBondContact O-N 3.23Å
220	W	88.8	Confident	84.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.3	-43.2	175.2	-62.3	-22.1	0	0	0	112.2	L147 M161 I170 L215 P216 V217 K222 E223 I224 L266 S267 P269	L147-W220 HydrophobicContact CD2-CZ3 4.15Å; M161-W220 HydrophobicContact CE-CB 3.69Å; M161-W220 HydrophobicContact CE-CD2 4.04Å; M161-W220 HydrophobicContact CE-CE3 3.38Å; M161-W220 HydrophobicContact CE-CG 4.22Å; M161-W220 HydrophobicContact CE-CZ3 4.23Å; I170-W220 HydrophobicContact CB-CH2 4.44Å; I170-W220 HydrophobicContact CB-CZ2 4.33Å; I170-W220 HydrophobicContact CD1-CE3 4.06Å; I170-W220 HydrophobicContact CD1-CH2 3.39Å; I170-W220 HydrophobicContact CD1-CZ2 4Å; I170-W220 HydrophobicContact CD1-CZ3 3.47Å; I170-W220 VanDerWaalsContact CD1-CZ3 3.47Å; I170-W220 HydrophobicContact CG1-CH2 3.94Å; I170-W220 HydrophobicContact CG1-CZ2 4.02Å; I170-W220 HydrophobicContact CG1-CZ3 4.25Å; I170-W220 HydrophobicContact CG2-CH2 3.75Å; I170-W220 HydrophobicContact CG2-CZ2 3.35Å; L215-W220 HydrophobicContact CB-CH2 4.2Å; L215-W220 HydrophobicContact CB-CZ3 4.03Å; L215-W220 HydrophobicContact CD2-CH2 3.65Å; L215-W220 HydrophobicContact CD2-CZ3 4.14Å; L215-W220 HydrophobicContact CG-CH2 4.45Å; L215-W220 HydrophobicContact CG-CZ3 4.5Å; P216-W220 HydrophobicContact CG-CD2 4.44Å; P216-W220 HydrophobicContact CG-CZ2 4.06Å; P216-W220 PolarHBondContact O-N 2.83Å; P216-W220 VanDerWaalsContact O-N 3.08Å; V217-W220 HydrophobicContact CB-CE3 4.37Å; V217-W220 HydrophobicContact CG2-CE3 4.01Å; V217-W220 HydrophobicContact CG2-CZ3 4.19Å; V217-W220 WeakPolarHBondContact O-CB 3.44Å; V217-W220 PolarHBondContact O-N 2.84Å; W220-K222 PolarHBondContact O-N 2.82Å; W220-E223 PolarHBondContact O-N 2.93Å; W220-E223 VanDerWaalsContact O-N 3.09Å; W220-I224 HydrophobicContact CB-CD1 4.37Å; W220-I224 WeakPolarHBondContact O-CB 3.38Å; W220-I224 WeakPolarHBondContact O-CD1 3.46Å; W220-I224 WeakPolarHBondContact O-CG1 3.46Å; W220-I224 PolarHBondContact O-N 2.91Å; W220-L266 HydrophobicContact CB-CD1 4.21Å; W220-L266 HydrophobicContact CB-CD2 4.33Å; W220-L266 HydrophobicContact CG-CB 4.21Å; W220-L266 HydrophobicContact CG-CD1 4.17Å; W220-S267 VanDerWaalsContact CD1-OG 3.23Å; W220-S267 WeakPolarHBondContact CZ2-O 3.42Å; W220-S267 PolarHBondContact NE1-O 3.45Å; W220-S267 PolarHBondContact NE1-OG 2.72Å; W220-P269 HydrophobicContact CH2-CG 4.25Å; W220-P269 HydrophobicContact CZ2-CG 4.13Å
221	M	84.1	Confident	84.4	Confident	65 Å²	65	47.7 Å²	47.7	32%	0.32	24%	0.235	S	C	.	.	H	α-helix	trans	-59.9	-35.3	175.6	-70	-54.6	-67.1	0	0	112.4	V145 M161 V217 V219 L225	V145-M221 HydrophobicContact CG1-SD 4.34Å; V145-M221 HydrophobicContact CG2-CE 3.78Å; V145-M221 HydrophobicContact CG2-SD 3.74Å; M161-M221 HydrophobicContact SD-SD 4.33Å; V217-M221 HydrophobicContact CG1-CG 4.28Å; V217-M221 VanDerWaalsContact O-CG 3.32Å; V217-M221 WeakPolarHBondContact O-CG 3.03Å; V217-M221 PolarHBondContact O-N 2.77Å; V219-M221 VanDerWaalsContact C-N 3.3Å; V219-M221 PolarHBondContact O-N 2.89Å; M221-L225 VanDerWaalsContact O-CB 3.31Å; M221-L225 WeakPolarHBondContact O-CB 3.41Å; M221-L225 PolarHBondContact O-N 3.43Å
222	K	85	Confident	83.9	Confident	161 Å²	161	51.4 Å²	51.4	70%	0.7	25%	0.252	S	S	*	.	H	α-helix	trans	-71.6	-35.2	174.8	-68.8	172.6	-176.6	177.6	0	112.7	D218 V219 W220 P226	D218-K222 WeakPolarHBondContact O-CG 3.38Å; V219-K222 WeakPolarHBondContact O-CA 3.26Å; V219-K222 WeakPolarHBondContact O-CB 3.42Å; V219-K222 PolarHBondContact O-N 3.24Å; W220-K222 PolarHBondContact O-N 2.82Å; K222-P226 WeakPolarHBondContact O-CD 3.44Å
223	E	84.5	Confident	83.5	Confident	58 Å²	58	56.4 Å²	56.4	27%	0.271	28%	0.279	S	S	.	.	H	α-helix	trans	-69.1	-36.1	175.2	-68.3	172.7	-154.4	0	0	111.5	V219 W220 P226 L266 S267	V219-E223 WeakPolarHBondContact CG1-OE1 3.3Å; V219-E223 PolarHBondContact O-N 3.23Å; W220-E223 PolarHBondContact O-N 2.93Å; W220-E223 VanDerWaalsContact O-N 3.09Å; E223-P226 WeakPolarHBondContact O-CD 3.34Å; E223-P226 WeakPolarHBondContact O-CG 3.47Å; E223-L266 HydrophobicContact CB-CD2 3.85Å; E223-L266 WeakPolarHBondContact OE2-CA 3.39Å; E223-L266 WeakPolarHBondContact OE2-CD2 3.38Å; E223-S267 WeakPolarHBondContact OE1-CB 3.48Å; E223-S267 PolarHBondContact OE1-OG 2.89Å; E223-S267 PolarHBondContact OE2-N 3.47Å; E223-S267 VanDerWaalsContact OE2-N 3.16Å
224	I	83.8	Confident	82.6	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-85.5	-31.2	-175.2	-64.5	166.4	0	0	0	112.9	M161 V163 I168 W220 P226 I227 V228 L266	M161-I224 HydrophobicContact CE-CD1 4.21Å; M161-I224 HydrophobicContact CG-CD1 4.5Å; M161-I224 HydrophobicContact SD-CD1 3.26Å; M161-I224 WeakPolarHBondContact SD-CD1 3.49Å; V163-I224 HydrophobicContact CB-CG2 4.4Å; V163-I224 HydrophobicContact CG1-CG2 4.32Å; V163-I224 HydrophobicContact CG2-CD1 4.3Å; V163-I224 HydrophobicContact CG2-CG2 4.37Å; I168-I224 HydrophobicContact CD1-CB 4.29Å; I168-I224 HydrophobicContact CD1-CD1 4.02Å; I168-I224 HydrophobicContact CD1-CG1 3.75Å; I168-I224 HydrophobicContact CD1-CG2 3.65Å; W220-I224 HydrophobicContact CB-CD1 4.37Å; W220-I224 WeakPolarHBondContact O-CB 3.38Å; W220-I224 WeakPolarHBondContact O-CD1 3.46Å; W220-I224 WeakPolarHBondContact O-CG1 3.46Å; W220-I224 PolarHBondContact O-N 2.91Å; I224-P226 VanDerWaalsContact C-CD 3.49Å; I224-I227 WeakPolarHBondContact O-CA 3.19Å; I224-I227 WeakPolarHBondContact O-CB 3.4Å; I224-I227 PolarHBondContact O-N 3.48Å; I224-V228 HydrophobicContact CG2-CG2 3.52Å; I224-V228 PolarHBondContact O-N 3.11Å; I224-L266 HydrophobicContact CD1-CD1 3.76Å; I224-L266 HydrophobicContact CD1-CD2 3.93Å; I224-L266 HydrophobicContact CD1-CG 4.48Å; I224-L266 HydrophobicContact CG1-CD1 4.31Å; I224-L266 HydrophobicContact CG1-CD2 3.59Å
225	L	85.6	Confident	81.5	Confident	96 Å²	96	56.3 Å²	56.3	50%	0.503	29%	0.285	S	S	.	.	H	α-helix	trans	-47.8	-48	-178.8	-174	64.1	0	0	0	114.5	M221 I227 V228 Q229	M221-L225 VanDerWaalsContact O-CB 3.31Å; M221-L225 WeakPolarHBondContact O-CB 3.41Å; M221-L225 PolarHBondContact O-N 3.43Å; L225-I227 VanDerWaalsContact C-N 3.32Å; L225-I227 PolarHBondContact O-N 3.2Å; L225-V228 PolarHBondContact O-N 3.04Å; L225-Q229 VanDerWaalsContact O-CG 3.31Å; L225-Q229 WeakPolarHBondContact O-CG 3.42Å; L225-Q229 PolarHBondContact O-N 3.05Å
226	P	82.5	Confident	79.9	Confident	71 Å²	71	62.5 Å²	62.5	46%	0.461	32%	0.315	S	S	.	.	H	α-helix	trans	-65	-34.8	177.1	24.9	-34.6	0	0	0	113.1	K222 E223 I224 E230	K222-P226 WeakPolarHBondContact O-CD 3.44Å; E223-P226 WeakPolarHBondContact O-CD 3.34Å; E223-P226 WeakPolarHBondContact O-CG 3.47Å; I224-P226 VanDerWaalsContact C-CD 3.49Å; P226-E230 PolarHBondContact O-N 3.15Å
227	I	83.1	Confident	78.5	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.041	32%	0.322	C	S	.	.	H	α-helix	trans	-64.5	-50.3	177.8	-55.9	172.3	0	0	0	109.1	L166 I224 L225 Q229 E230 F231 Y260 F264	L166-I227 HydrophobicContact CD1-CG2 4.29Å; I224-I227 WeakPolarHBondContact O-CA 3.19Å; I224-I227 WeakPolarHBondContact O-CB 3.4Å; I224-I227 PolarHBondContact O-N 3.48Å; L225-I227 VanDerWaalsContact C-N 3.32Å; L225-I227 PolarHBondContact O-N 3.2Å; I227-Q229 VanDerWaalsContact C-N 3.35Å; I227-Q229 PolarHBondContact O-N 3.41Å; I227-E230 WeakPolarHBondContact O-CB 3.29Å; I227-E230 PolarHBondContact O-N 3.25Å; I227-E230 VanDerWaalsContact O-N 3.13Å; I227-F231 HydrophobicContact CG2-CD2 3.92Å; I227-F231 HydrophobicContact CG2-CE2 3.77Å; I227-F231 VanDerWaalsContact O-CD2 3.29Å; I227-F231 WeakPolarHBondContact O-CD2 3.47Å; I227-F231 PolarHBondContact O-N 2.96Å; I227-F231 VanDerWaalsContact O-N 3.1Å; I227-Y260 HydrophobicContact CB-CE1 4.46Å; I227-Y260 HydrophobicContact CD1-CD1 3.63Å; I227-Y260 HydrophobicContact CD1-CE1 3.58Å; I227-Y260 HydrophobicContact CD1-CG 4.49Å; I227-Y260 HydrophobicContact CG1-CD1 4.13Å; I227-Y260 HydrophobicContact CG1-CE1 3.65Å; I227-Y260 HydrophobicContact CG2-CD1 4.03Å; I227-Y260 HydrophobicContact CG2-CD2 3.83Å; I227-Y260 HydrophobicContact CG2-CE1 4.02Å; I227-Y260 HydrophobicContact CG2-CE2 3.82Å; I227-Y260 HydrophobicContact CG2-CG 3.94Å; I227-F264 HydrophobicContact CD1-CD1 4.05Å; I227-F264 HydrophobicContact CD1-CE1 3.62Å; I227-F264 HydrophobicContact CD1-CE2 4.4Å; I227-F264 HydrophobicContact CD1-CZ 3.83Å
228	V	80.9	Confident	77.1	Confident	12 Å²	12	65.4 Å²	65.4	7%	0.073	34%	0.335	C	S	.	.	H	α-helix	trans	-59.5	-45.4	179.1	171.5	0	0	0	0	111.3	V163 E164 I224 L225 E230 F231 Q232	V163-V228 HydrophobicContact CG1-CG2 3.9Å; E164-V228 VanDerWaalsContact OE2-CG1 3.24Å; E164-V228 WeakPolarHBondContact OE2-CG1 3.22Å; I224-V228 HydrophobicContact CG2-CG2 3.52Å; I224-V228 PolarHBondContact O-N 3.11Å; L225-V228 PolarHBondContact O-N 3.04Å; V228-E230 VanDerWaalsContact C-N 3.29Å; V228-E230 PolarHBondContact O-N 2.98Å; V228-F231 PolarHBondContact O-N 3.08Å; V228-Q232 HydrophobicContact CG1-CG 4.28Å; V228-Q232 WeakPolarHBondContact O-CB 3.32Å; V228-Q232 VanDerWaalsContact O-CG 3.31Å; V228-Q232 WeakPolarHBondContact O-CG 3.4Å; V228-Q232 PolarHBondContact O-N 3.2Å
229	Q	81.2	Confident	75.6	Confident	96 Å²	96	65.6 Å²	65.6	45%	0.449	34%	0.344	S	S	.	.	H	α-helix	trans	-59.8	-38.6	176.5	-73.7	175.5	-3.3	0	0	112.3	L225 I227 Q232 N233	L225-Q229 VanDerWaalsContact O-CG 3.31Å; L225-Q229 WeakPolarHBondContact O-CG 3.42Å; L225-Q229 PolarHBondContact O-N 3.05Å; I227-Q229 VanDerWaalsContact C-N 3.35Å; I227-Q229 PolarHBondContact O-N 3.41Å; Q229-Q232 PolarHBondContact O-N 2.92Å; Q229-N233 WeakPolarHBondContact O-CB 3.47Å; Q229-N233 PolarHBondContact O-N 3.16Å; Q229-N233 PolarHBondContact O-ND2 3.12Å; Q229-N233 VanDerWaalsContact O-ND2 3.1Å
230	E	80.9	Confident	73.9	Confident	57 Å²	57	66.6 Å²	66.6	27%	0.266	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-48.5	175.8	-172.5	-178.7	158.3	0	0	111.8	P226 I227 V228 Q232 N233 A234 R256	P226-E230 PolarHBondContact O-N 3.15Å; I227-E230 WeakPolarHBondContact O-CB 3.29Å; I227-E230 PolarHBondContact O-N 3.25Å; I227-E230 VanDerWaalsContact O-N 3.13Å; V228-E230 VanDerWaalsContact C-N 3.29Å; V228-E230 PolarHBondContact O-N 2.98Å; E230-Q232 VanDerWaalsContact C-N 3.35Å; E230-Q232 PolarHBondContact O-N 2.76Å; E230-N233 PolarHBondContact O-N 3.27Å; E230-A234 WeakPolarHBondContact O-CB 3.38Å; E230-A234 PolarHBondContact O-N 2.81Å; E230-R256 WeakPolarHBondContact OE1-CD 3.18Å; E230-R256 IonicContact OE1-CZ 3.46Å; E230-R256 IonicContact OE1-NE 3.62Å; E230-R256 IonicContact OE1-NH1 2.69Å; E230-R256 PolarHBondContact OE1-NH1 3.06Å
231	F	77.2	Confident	71.8	Confident	21 Å²	21	71.5 Å²	71.5	9%	0.092	38%	0.378	C	S	.	.	H	α-helix	trans	-66.3	-35.2	178	-79.9	-83.4	0	0	0	112.8	L166 I227 V228 K235 L253 R256 K257 Y260	L166-F231 HydrophobicContact CD1-CB 4.47Å; L166-F231 HydrophobicContact CD1-CD2 3.42Å; L166-F231 VanDerWaalsContact CD1-CD2 3.42Å; L166-F231 HydrophobicContact CD1-CE2 3.68Å; L166-F231 HydrophobicContact CD1-CG 3.9Å; L166-F231 HydrophobicContact CD1-CZ 4.35Å; L166-F231 HydrophobicContact CD2-CD1 4.42Å; L166-F231 HydrophobicContact CD2-CD2 4.46Å; L166-F231 HydrophobicContact CD2-CE1 4.15Å; L166-F231 HydrophobicContact CD2-CE2 4.19Å; L166-F231 HydrophobicContact CD2-CZ 4.03Å; I227-F231 HydrophobicContact CG2-CD2 3.92Å; I227-F231 HydrophobicContact CG2-CE2 3.77Å; I227-F231 VanDerWaalsContact O-CD2 3.29Å; I227-F231 WeakPolarHBondContact O-CD2 3.47Å; I227-F231 PolarHBondContact O-N 2.96Å; I227-F231 VanDerWaalsContact O-N 3.1Å; V228-F231 PolarHBondContact O-N 3.08Å; F231-K235 WeakPolarHBondContact O-CB 3.41Å; F231-K235 VanDerWaalsContact O-CG 3.32Å; F231-K235 WeakPolarHBondContact O-CG 3.36Å; F231-K235 PolarHBondContact O-N 3.05Å; F231-L253 HydrophobicContact CD1-CD2 4.26Å; F231-L253 HydrophobicContact CE1-CD2 4.29Å; F231-R256 HydrophobicContact CZ-CB 4.45Å; F231-K257 HydrophobicContact CE1-CB 4.09Å; F231-K257 HydrophobicContact CZ-CB 4.07Å; F231-Y260 AromaticContact CE2-CD2 3.57Å; F231-Y260 HydrophobicContact CE2-CD2 3.57Å; F231-Y260 AromaticContact CE2-CE2 3.78Å; F231-Y260 HydrophobicContact CE2-CE2 3.78Å; F231-Y260 AromaticContact CZ-CD2 3.91Å; F231-Y260 HydrophobicContact CZ-CD2 3.91Å; F231-Y260 HydrophobicContact CZ-CE2 4.28Å
232	Q	77	Confident	69.8	Low	80 Å²	80	76.3 Å²	76.3	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-65.7	-46.3	174.1	-73	178.7	-4.4	0	0	111.7	E164 V228 Q229 E230 A234 K235 M236	E164-Q232 VanDerWaalsContact CD-NE2 3.34Å; E164-Q232 PolarHBondContact OE1-NE2 3.09Å; E164-Q232 PolarHBondContact OE2-NE2 2.8Å; V228-Q232 HydrophobicContact CG1-CG 4.28Å; V228-Q232 WeakPolarHBondContact O-CB 3.32Å; V228-Q232 VanDerWaalsContact O-CG 3.31Å; V228-Q232 WeakPolarHBondContact O-CG 3.4Å; V228-Q232 PolarHBondContact O-N 3.2Å; Q229-Q232 PolarHBondContact O-N 2.92Å; E230-Q232 VanDerWaalsContact C-N 3.35Å; E230-Q232 PolarHBondContact O-N 2.76Å; Q232-A234 VanDerWaalsContact C-N 3.3Å; Q232-A234 PolarHBondContact O-N 2.89Å; Q232-K235 PolarHBondContact O-N 3.48Å; Q232-M236 PolarHBondContact O-N 3.43Å
233	N	77.7	Confident	68.2	Low	105 Å²	105	74.4 Å²	74.4	56%	0.561	40%	0.402	S	S	*	.	H	α-helix	trans	-63.7	-37.4	178.3	-70.8	-25.3	0	0	0	111.7	Q229 E230 M236 S237	Q229-N233 WeakPolarHBondContact O-CB 3.47Å; Q229-N233 PolarHBondContact O-N 3.16Å; Q229-N233 PolarHBondContact O-ND2 3.12Å; Q229-N233 VanDerWaalsContact O-ND2 3.1Å; E230-N233 PolarHBondContact O-N 3.27Å; N233-M236 PolarHBondContact O-N 3.21Å; N233-S237 PolarHBondContact O-N 3.14Å; N233-S237 PolarHBondContact O-OG 3.48Å
234	A	68.8	Low	66.5	Low	13 Å²	13	75.9 Å²	75.9	11%	0.107	42%	0.418	C	S	.	.	H	α-helix	trans	-71.1	-39	177.7	0	0	0	0	0	112.6	E230 Q232 M236 S237 T238 L253	E230-A234 WeakPolarHBondContact O-CB 3.38Å; E230-A234 PolarHBondContact O-N 2.81Å; Q232-A234 VanDerWaalsContact C-N 3.3Å; Q232-A234 PolarHBondContact O-N 2.89Å; A234-M236 VanDerWaalsContact C-N 3.25Å; A234-M236 PolarHBondContact O-N 3.21Å; A234-S237 WeakPolarHBondContact CA-OG 3.32Å; A234-S237 PolarHBondContact O-N 2.94Å; A234-S237 PolarHBondContact O-OG 3.36Å; A234-T238 WeakPolarHBondContact O-CG2 3.44Å; A234-T238 PolarHBondContact O-N 3.27Å; A234-T238 PolarHBondContact O-OG1 3.47Å; A234-L253 HydrophobicContact CB-CD1 3.77Å; A234-L253 HydrophobicContact CB-CD2 3.4Å; A234-L253 HydrophobicContact CB-CG 4.12Å
235	K	64.5	Low	65	Low	131 Å²	131	78 Å²	78	57%	0.57	43%	0.432	S	S	*	.	H	α-helix	trans	-60	-38.7	170.3	-75	175.6	-176.4	177.5	0	111	F231 Q232 T238	F231-K235 WeakPolarHBondContact O-CB 3.41Å; F231-K235 VanDerWaalsContact O-CG 3.32Å; F231-K235 WeakPolarHBondContact O-CG 3.36Å; F231-K235 PolarHBondContact O-N 3.05Å; Q232-K235 PolarHBondContact O-N 3.48Å; K235-T238 PolarHBondContact O-OG1 3.46Å
236	M	52.8	Low	63.5	Low	137 Å²	137	75 Å²	75	68%	0.675	42%	0.417	S	S	*	.	H	α-helix	trans	-71.7	-32.2	177.9	-159.8	173.1	-59.4	0	0	113.4	Q232 N233 A234 S239	Q232-M236 PolarHBondContact O-N 3.43Å; N233-M236 PolarHBondContact O-N 3.21Å; A234-M236 VanDerWaalsContact C-N 3.25Å; A234-M236 PolarHBondContact O-N 3.21Å; M236-S239 PolarHBondContact O-OG 2.9Å
237	S	55.8	Low	62.1	Low	46 Å²	46	78.3 Å²	78.3	32%	0.322	43%	0.427	S	S	.	.	H	α-helix	trans	-75.5	-37	176.6	64.3	0	0	0	0	112.5	N233 A234 S239 S240 M241	N233-S237 PolarHBondContact O-N 3.14Å; N233-S237 PolarHBondContact O-OG 3.48Å; A234-S237 WeakPolarHBondContact CA-OG 3.32Å; A234-S237 PolarHBondContact O-N 2.94Å; A234-S237 PolarHBondContact O-OG 3.36Å; S237-S239 PolarHBondContact O-N 3.2Å; S237-S240 PolarHBondContact O-N 3.48Å; S237-S240 PolarHBondContact O-OG 3.41Å; S237-M241 PolarHBondContact O-N 3.06Å
238	T	54	Low	60.6	Low	44 Å²	44	85.1 Å²	85.1	27%	0.27	46%	0.458	S	S	.	.	H	α-helix	trans	-62.1	-27	177.7	56.8	0	0	0	0	113.8	A234 K235 S240 I249	A234-T238 WeakPolarHBondContact O-CG2 3.44Å; A234-T238 PolarHBondContact O-N 3.27Å; A234-T238 PolarHBondContact O-OG1 3.47Å; K235-T238 PolarHBondContact O-OG1 3.46Å; T238-S240 PolarHBondContact O-N 3.04Å; T238-I249 HydrophobicContact CG2-CG2 3.89Å
239	S	52.5	Low	59.6	Low	106 Å²	106	86.9 Å²	86.9	74%	0.741	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.4	174.8	71	0	0	0	0	113.7	M236 S237	M236-S239 PolarHBondContact O-OG 2.9Å; S237-S239 PolarHBondContact O-N 3.2Å
240	S	52.2	Low	58.7	Low	90 Å²	90	85.1 Å²	85.1	63%	0.629	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-12.1	-173.2	72.2	0	0	0	0	115.9	S237 T238	S237-S240 PolarHBondContact O-N 3.48Å; S237-S240 PolarHBondContact O-OG 3.41Å; T238-S240 PolarHBondContact O-N 3.04Å
241	M	44.2	Very low	57.8	Low	103 Å²	103	86.1 Å²	86.1	51%	0.507	47%	0.473	S	S	.	.	S	Bend	trans	-118.2	130.3	-175.7	-82.3	-158.9	85.7	0	0	115	S237 T245 T246	S237-M241 PolarHBondContact O-N 3.06Å; M241-T245 HydrophobicContact CE-CG2 4.29Å; M241-T245 WeakPolarHBondContact CE-OG1 3.43Å; M241-T246 PolarHBondContact O-OG1 3.43Å
242	E	41.4	Very low	57.6	Low	167 Å²	167	88.3 Å²	88.3	78%	0.78	49%	0.485	S	S	*	.			trans	-64.4	128.7	-178.6	-63.1	173.2	161.3	0	0	113.7	S244	E242-S244 PolarHBondContact O-N 3.44Å
243	T	51.3	Low	57.5	Low	120 Å²	120	85.9 Å²	85.9	74%	0.736	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	27.4	-44.6	163.3	63.7	0	0	0	0	123.1	T246	T243-T246 VanDerWaalsContact CA-OG1 3.3Å; T243-T246 WeakPolarHBondContact CA-OG1 3.46Å; T243-T246 PolarHBondContact N-OG1 3.1Å; T243-T246 VanDerWaalsContact N-OG1 3.14Å
244	S	48.6	Very low	57.4	Low	89 Å²	89	85.7 Å²	85.7	62%	0.622	47%	0.473	S	S	*	.	H	α-helix	trans	-91.7	-44.9	-171.3	61.6	0	0	0	0	113	E242 T246	E242-S244 PolarHBondContact O-N 3.44Å; S244-T246 PolarHBondContact O-N 2.8Å
245	T	53.1	Low	57.7	Low	46 Å²	46	91 Å²	91	28%	0.282	50%	0.495	S	S	.	.	H	α-helix	trans	-70.2	-23.5	173.5	28.5	0	0	0	0	111.8	M241 Q247 E248 I249	M241-T245 HydrophobicContact CE-CG2 4.29Å; M241-T245 WeakPolarHBondContact CE-OG1 3.43Å; T245-Q247 VanDerWaalsContact C-N 3.29Å; T245-Q247 PolarHBondContact O-N 3.03Å; T245-E248 PolarHBondContact O-N 2.81Å; T245-I249 WeakPolarHBondContact O-CB 3.43Å; T245-I249 WeakPolarHBondContact O-CD1 3.43Å; T245-I249 WeakPolarHBondContact O-CG1 3.3Å; T245-I249 PolarHBondContact O-N 2.82Å
246	T	53	Low	58.4	Low	32 Å²	32	89.6 Å²	89.6	20%	0.196	49%	0.486	C	S	.	.	H	α-helix	trans	-63.1	-34.6	179	-14.2	0	0	0	0	111.9	M241 T243 S244 T250	M241-T246 PolarHBondContact O-OG1 3.43Å; T243-T246 VanDerWaalsContact CA-OG1 3.3Å; T243-T246 WeakPolarHBondContact CA-OG1 3.46Å; T243-T246 PolarHBondContact N-OG1 3.1Å; T243-T246 VanDerWaalsContact N-OG1 3.14Å; S244-T246 PolarHBondContact O-N 2.8Å; T246-T250 WeakPolarHBondContact O-CB 3.27Å; T246-T250 VanDerWaalsContact O-CG2 3.23Å; T246-T250 WeakPolarHBondContact O-CG2 3.42Å; T246-T250 PolarHBondContact O-N 2.95Å; T246-T250 PolarHBondContact O-OG1 2.77Å
247	Q	53.7	Low	59.6	Low	142 Å²	142	85.6 Å²	85.6	66%	0.664	47%	0.465	S	S	*	.	H	α-helix	trans	-69.2	-46.6	177.1	-69.9	-174	-5.6	0	0	112.3	T245 I249 T250 V251	T245-Q247 VanDerWaalsContact C-N 3.29Å; T245-Q247 PolarHBondContact O-N 3.03Å; Q247-I249 PolarHBondContact O-N 3.02Å; Q247-T250 VanDerWaalsContact CA-OG1 3.32Å; Q247-T250 WeakPolarHBondContact CA-OG1 3.36Å; Q247-T250 PolarHBondContact O-N 2.75Å; Q247-T250 PolarHBondContact O-OG1 3.39Å; Q247-V251 WeakPolarHBondContact O-CG2 3.4Å; Q247-V251 PolarHBondContact O-N 2.82Å
248	E	52.8	Low	60.5	Low	150 Å²	150	87.7 Å²	87.7	70%	0.701	47%	0.472	S	S	*	.	H	α-helix	trans	-64.9	-40.9	176.9	-72.8	-175.4	168.5	0	0	112	T245 T250 N252	T245-E248 PolarHBondContact O-N 2.81Å; E248-T250 VanDerWaalsContact C-N 3.35Å; E248-N252 VanDerWaalsContact O-CB 3.31Å; E248-N252 WeakPolarHBondContact O-CB 3.5Å; E248-N252 PolarHBondContact O-N 2.82Å
249	I	59	Low	61.8	Low	49 Å²	49	89.8 Å²	89.8	25%	0.251	48%	0.478	S	S	.	.	H	α-helix	trans	-63.1	-42.8	176.4	-66.4	164.9	0	0	0	110.3	T238 T245 Q247 N252 L253	T238-I249 HydrophobicContact CG2-CG2 3.89Å; T245-I249 WeakPolarHBondContact O-CB 3.43Å; T245-I249 WeakPolarHBondContact O-CD1 3.43Å; T245-I249 WeakPolarHBondContact O-CG1 3.3Å; T245-I249 PolarHBondContact O-N 2.82Å; Q247-I249 PolarHBondContact O-N 3.02Å; I249-N252 PolarHBondContact O-N 3.04Å; I249-L253 HydrophobicContact CG2-CD1 3.93Å; I249-L253 HydrophobicContact CG2-CG 4.4Å; I249-L253 WeakPolarHBondContact O-CB 3.48Å; I249-L253 VanDerWaalsContact O-CG 3.24Å; I249-L253 WeakPolarHBondContact O-CG 3.04Å; I249-L253 PolarHBondContact O-N 2.82Å
250	T	61.5	Low	63.1	Low	60 Å²	60	86.3 Å²	86.3	37%	0.368	45%	0.449	S	S	.	.	H	α-helix	trans	-67.7	-42.7	179.8	44.7	0	0	0	0	112.6	T246 Q247 E248 N252 L253 I254	T246-T250 WeakPolarHBondContact O-CB 3.27Å; T246-T250 VanDerWaalsContact O-CG2 3.23Å; T246-T250 WeakPolarHBondContact O-CG2 3.42Å; T246-T250 PolarHBondContact O-N 2.95Å; T246-T250 PolarHBondContact O-OG1 2.77Å; Q247-T250 VanDerWaalsContact CA-OG1 3.32Å; Q247-T250 WeakPolarHBondContact CA-OG1 3.36Å; Q247-T250 PolarHBondContact O-N 2.75Å; Q247-T250 PolarHBondContact O-OG1 3.39Å; E248-T250 VanDerWaalsContact C-N 3.35Å; T250-N252 VanDerWaalsContact C-N 3.34Å; T250-N252 PolarHBondContact O-N 2.9Å; T250-L253 PolarHBondContact O-N 3.42Å; T250-I254 VanDerWaalsContact O-CG1 3.28Å; T250-I254 WeakPolarHBondContact O-CG1 3.3Å; T250-I254 PolarHBondContact O-N 2.71Å
251	V	62.2	Low	64.4	Low	78 Å²	78	82.4 Å²	82.4	47%	0.473	42%	0.42	S	S	.	.	H	α-helix	trans	-60.5	-45.3	174.5	174.2	0	0	0	0	110.7	Q247 L253 I254 E255	Q247-V251 WeakPolarHBondContact O-CG2 3.4Å; Q247-V251 PolarHBondContact O-N 2.82Å; V251-L253 VanDerWaalsContact C-N 3.33Å; V251-L253 PolarHBondContact O-N 2.84Å; V251-I254 PolarHBondContact O-N 3.31Å; V251-E255 HydrophobicContact CG1-CG 4.49Å; V251-E255 WeakPolarHBondContact O-CG 3.31Å; V251-E255 PolarHBondContact O-N 3.29Å
252	N	73.6	Confident	65.9	Low	67 Å²	67	80.1 Å²	80.1	36%	0.358	41%	0.41	S	S	.	.	H	α-helix	trans	-62.8	-38.7	178.3	-158.2	-31	0	0	0	112	E248 I249 T250 R256	E248-N252 VanDerWaalsContact O-CB 3.31Å; E248-N252 WeakPolarHBondContact O-CB 3.5Å; E248-N252 PolarHBondContact O-N 2.82Å; I249-N252 PolarHBondContact O-N 3.04Å; T250-N252 VanDerWaalsContact C-N 3.34Å; T250-N252 PolarHBondContact O-N 2.9Å; N252-R256 WeakPolarHBondContact O-CB 3.35Å; N252-R256 VanDerWaalsContact O-CG 3.28Å; N252-R256 WeakPolarHBondContact O-CG 3.03Å; N252-R256 PolarHBondContact O-N 2.79Å; N252-R256 PolarHBondContact OD1-NE 3.11Å; N252-R256 PolarHBondContact OD1-NH2 3.22Å
253	L	73.8	Confident	67.5	Low	29 Å²	29	78.9 Å²	78.9	15%	0.152	40%	0.404	C	S	.	.	H	α-helix	trans	-67.6	-37.5	174.9	-72.3	169.4	0	0	0	113	F231 A234 I249 T250 V251 K257	F231-L253 HydrophobicContact CD1-CD2 4.26Å; F231-L253 HydrophobicContact CE1-CD2 4.29Å; A234-L253 HydrophobicContact CB-CD1 3.77Å; A234-L253 HydrophobicContact CB-CD2 3.4Å; A234-L253 HydrophobicContact CB-CG 4.12Å; I249-L253 HydrophobicContact CG2-CD1 3.93Å; I249-L253 HydrophobicContact CG2-CG 4.4Å; I249-L253 WeakPolarHBondContact O-CB 3.48Å; I249-L253 VanDerWaalsContact O-CG 3.24Å; I249-L253 WeakPolarHBondContact O-CG 3.04Å; I249-L253 PolarHBondContact O-N 2.82Å; T250-L253 PolarHBondContact O-N 3.42Å; V251-L253 VanDerWaalsContact C-N 3.33Å; V251-L253 PolarHBondContact O-N 2.84Å; L253-K257 VanDerWaalsContact O-CB 3.24Å; L253-K257 WeakPolarHBondContact O-CB 3.38Å; L253-K257 PolarHBondContact O-N 3.32Å
254	I	75.7	Confident	68.8	Low	101 Å²	101	75.6 Å²	75.6	52%	0.518	38%	0.38	S	S	.	.	H	α-helix	trans	-66.4	-46.8	176	-68.7	163.7	0	0	0	110.1	T250 V251 R256 K257 L258	T250-I254 VanDerWaalsContact O-CG1 3.28Å; T250-I254 WeakPolarHBondContact O-CG1 3.3Å; T250-I254 PolarHBondContact O-N 2.71Å; V251-I254 PolarHBondContact O-N 3.31Å; I254-R256 VanDerWaalsContact C-N 3.33Å; I254-R256 PolarHBondContact O-N 3.4Å; I254-K257 PolarHBondContact O-N 3.12Å; I254-L258 HydrophobicContact CG2-CD1 4.04Å; I254-L258 WeakPolarHBondContact O-CB 3.5Å; I254-L258 WeakPolarHBondContact O-CG 3.15Å; I254-L258 PolarHBondContact O-N 3.45Å
255	E	77.1	Confident	70.3	Confident	125 Å²	125	76 Å²	76	58%	0.584	37%	0.372	S	S	*	.	H	α-helix	trans	-61.1	-41.8	176.3	-72.6	-178.8	174.2	0	0	111.7	V251 L258 F259	V251-E255 HydrophobicContact CG1-CG 4.49Å; V251-E255 WeakPolarHBondContact O-CG 3.31Å; V251-E255 PolarHBondContact O-N 3.29Å; E255-L258 PolarHBondContact O-N 2.79Å; E255-F259 WeakPolarHBondContact O-CB 3.3Å; E255-F259 PolarHBondContact O-N 3.21Å
256	R	77.5	Confident	71.7	Confident	101 Å²	101	73.8 Å²	73.8	38%	0.381	36%	0.359	S	S	.	.	H	α-helix	trans	-67.4	-41.2	174.8	-75.6	-175.8	-168.7	160.4	8.2	112.7	E230 F231 N252 I254 F259 Y260	E230-R256 WeakPolarHBondContact OE1-CD 3.18Å; E230-R256 IonicContact OE1-CZ 3.46Å; E230-R256 IonicContact OE1-NE 3.62Å; E230-R256 IonicContact OE1-NH1 2.69Å; E230-R256 PolarHBondContact OE1-NH1 3.06Å; F231-R256 HydrophobicContact CZ-CB 4.45Å; N252-R256 WeakPolarHBondContact O-CB 3.35Å; N252-R256 VanDerWaalsContact O-CG 3.28Å; N252-R256 WeakPolarHBondContact O-CG 3.03Å; N252-R256 PolarHBondContact O-N 2.79Å; N252-R256 PolarHBondContact OD1-NE 3.11Å; N252-R256 PolarHBondContact OD1-NH2 3.22Å; I254-R256 VanDerWaalsContact C-N 3.33Å; I254-R256 PolarHBondContact O-N 3.4Å; R256-F259 WeakPolarHBondContact O-CB 3.35Å; R256-F259 PolarHBondContact O-N 3.24Å; R256-Y260 HydrophobicContact CB-CD2 4.49Å; R256-Y260 HydrophobicContact CB-CE2 4.24Å; R256-Y260 WeakPolarHBondContact O-CD2 3.45Å; R256-Y260 PolarHBondContact O-N 2.7Å
257	K	79.4	Confident	73.1	Confident	52 Å²	52	74.1 Å²	74.1	23%	0.226	36%	0.362	C	S	.	.	H	α-helix	trans	-57.1	-51.9	173.6	-179.5	-178.3	175.8	-170.9	0	109.7	S119 L166 F231 L253 I254 F259 Y260 E261	S119-K257 WeakPolarHBondContact OG-CE 3.28Å; S119-K257 PolarHBondContact OG-NZ 2.94Å; L166-K257 HydrophobicContact CD2-CD 4.34Å; L166-K257 HydrophobicContact CD2-CG 3.89Å; F231-K257 HydrophobicContact CE1-CB 4.09Å; F231-K257 HydrophobicContact CZ-CB 4.07Å; L253-K257 VanDerWaalsContact O-CB 3.24Å; L253-K257 WeakPolarHBondContact O-CB 3.38Å; L253-K257 PolarHBondContact O-N 3.32Å; I254-K257 PolarHBondContact O-N 3.12Å; K257-F259 VanDerWaalsContact C-N 3.26Å; K257-F259 PolarHBondContact O-N 3.41Å; K257-Y260 PolarHBondContact O-N 3.28Å; K257-Y260 VanDerWaalsContact O-N 3.11Å; K257-E261 WeakPolarHBondContact CE-OE1 3.38Å; K257-E261 WeakPolarHBondContact CE-OE2 3.31Å; K257-E261 HydrophobicContact CG-CG 4.18Å; K257-E261 IonicContact NZ-OE1 3.73Å; K257-E261 WeakPolarHBondContact O-CB 3.23Å; K257-E261 VanDerWaalsContact O-CG 3.26Å; K257-E261 WeakPolarHBondContact O-CG 3.24Å; K257-E261 PolarHBondContact O-N 2.93Å
258	L	74.9	Confident	74.6	Confident	90 Å²	90	70.1 Å²	70.1	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-59.2	-36.1	176.4	-74.7	168.1	0	0	0	112.8	I254 E255 N262	I254-L258 HydrophobicContact CG2-CD1 4.04Å; I254-L258 WeakPolarHBondContact O-CB 3.5Å; I254-L258 WeakPolarHBondContact O-CG 3.15Å; I254-L258 PolarHBondContact O-N 3.45Å; E255-L258 PolarHBondContact O-N 2.79Å; L258-N262 VanDerWaalsContact O-CB 3.3Å; L258-N262 WeakPolarHBondContact O-CB 3.4Å; L258-N262 PolarHBondContact O-N 2.89Å; L258-N262 VanDerWaalsContact O-N 3.09Å; L258-N262 PolarHBondContact O-ND2 3.43Å
259	F	80.8	Confident	76.1	Confident	89 Å²	89	63.4 Å²	63.4	39%	0.39	32%	0.319	S	S	.	.	H	α-helix	trans	-63.1	-49	173.3	175.6	-92.8	0	0	0	111.6	E255 R256 K257 E261 Q263 F264	E255-F259 WeakPolarHBondContact O-CB 3.3Å; E255-F259 PolarHBondContact O-N 3.21Å; R256-F259 WeakPolarHBondContact O-CB 3.35Å; R256-F259 PolarHBondContact O-N 3.24Å; K257-F259 VanDerWaalsContact C-N 3.26Å; K257-F259 PolarHBondContact O-N 3.41Å; F259-E261 VanDerWaalsContact C-N 3.34Å; F259-E261 PolarHBondContact O-N 2.79Å; F259-Q263 HydrophobicContact CD2-CB 3.86Å; F259-Q263 HydrophobicContact CD2-CG 4.23Å; F259-Q263 HydrophobicContact CE2-CB 3.92Å; F259-Q263 VanDerWaalsContact CE2-OE1 3.23Å; F259-Q263 HydrophobicContact CG-CB 4.46Å; F259-Q263 WeakPolarHBondContact O-CA 3.38Å; F259-Q263 WeakPolarHBondContact O-CB 3.39Å; F259-Q263 PolarHBondContact O-N 2.78Å; F259-F264 HydrophobicContact CE1-CB 4.36Å; F259-F264 PolarHBondContact O-N 2.83Å
260	Y	79.9	Confident	77.3	Confident	33 Å²	33	64.9 Å²	64.9	13%	0.129	33%	0.33	C	S	.	.	H	α-helix	trans	-68.1	-34.1	-180	-69.3	-62.6	0	0	0	113.1	P169 I227 F231 R256 K257 F264	P169-Y260 WeakPolarHBondContact CD-O 3.44Å; I227-Y260 HydrophobicContact CB-CE1 4.46Å; I227-Y260 HydrophobicContact CD1-CD1 3.63Å; I227-Y260 HydrophobicContact CD1-CE1 3.58Å; I227-Y260 HydrophobicContact CD1-CG 4.49Å; I227-Y260 HydrophobicContact CG1-CD1 4.13Å; I227-Y260 HydrophobicContact CG1-CE1 3.65Å; I227-Y260 HydrophobicContact CG2-CD1 4.03Å; I227-Y260 HydrophobicContact CG2-CD2 3.83Å; I227-Y260 HydrophobicContact CG2-CE1 4.02Å; I227-Y260 HydrophobicContact CG2-CE2 3.82Å; I227-Y260 HydrophobicContact CG2-CG 3.94Å; F231-Y260 AromaticContact CE2-CD2 3.57Å; F231-Y260 HydrophobicContact CE2-CD2 3.57Å; F231-Y260 AromaticContact CE2-CE2 3.78Å; F231-Y260 HydrophobicContact CE2-CE2 3.78Å; F231-Y260 AromaticContact CZ-CD2 3.91Å; F231-Y260 HydrophobicContact CZ-CD2 3.91Å; F231-Y260 HydrophobicContact CZ-CE2 4.28Å; R256-Y260 HydrophobicContact CB-CD2 4.49Å; R256-Y260 HydrophobicContact CB-CE2 4.24Å; R256-Y260 WeakPolarHBondContact O-CD2 3.45Å; R256-Y260 PolarHBondContact O-N 2.7Å; K257-Y260 PolarHBondContact O-N 3.28Å; K257-Y260 VanDerWaalsContact O-N 3.11Å; Y260-F264 HydrophobicContact CD1-CB 3.82Å; Y260-F264 HydrophobicContact CD1-CD1 4.23Å; Y260-F264 HydrophobicContact CD1-CD2 4.3Å; Y260-F264 AromaticContact CD1-CG 3.87Å; Y260-F264 HydrophobicContact CD1-CG 3.87Å; Y260-F264 HydrophobicContact CE1-CD2 4.47Å; Y260-F264 HydrophobicContact CE1-CG 4.47Å
261	E	78.9	Confident	78.4	Confident	7 Å²	7	64 Å²	64	3%	0.033	32%	0.323	C	S	.	.	H	α-helix	trans	-80.1	-22.2	-177.7	-67.4	-173.6	154.6	0	0	113.6	W121 F167 P169 K257 F259	W121-E261 PolarHBondContact NE1-O 3.1Å; W121-E261 VanDerWaalsContact NE1-O 3.13Å; F167-E261 HydrophobicContact CB-CG 4.38Å; F167-E261 PolarHBondContact N-OE1 2.84Å; F167-E261 WeakPolarHBondContact O-CA 3.24Å; F167-E261 VanDerWaalsContact O-CG 3.31Å; F167-E261 WeakPolarHBondContact O-CG 3.13Å; P169-E261 WeakPolarHBondContact CD-O 3.23Å; P169-E261 WeakPolarHBondContact CG-O 3Å; K257-E261 WeakPolarHBondContact CE-OE1 3.38Å; K257-E261 WeakPolarHBondContact CE-OE2 3.31Å; K257-E261 HydrophobicContact CG-CG 4.18Å; K257-E261 IonicContact NZ-OE1 3.73Å; K257-E261 WeakPolarHBondContact O-CB 3.23Å; K257-E261 VanDerWaalsContact O-CG 3.26Å; K257-E261 WeakPolarHBondContact O-CG 3.24Å; K257-E261 PolarHBondContact O-N 2.93Å; F259-E261 VanDerWaalsContact C-N 3.34Å; F259-E261 PolarHBondContact O-N 2.79Å
262	N	76	Confident	79.2	Confident	56 Å²	56	61.7 Å²	61.7	30%	0.299	31%	0.308	S	S	.	.	H	α-helix	trans	-123.4	-27.9	-174.1	-58.3	-54.9	0	0	0	114.9	L258	L258-N262 VanDerWaalsContact O-CB 3.3Å; L258-N262 WeakPolarHBondContact O-CB 3.4Å; L258-N262 PolarHBondContact O-N 2.89Å; L258-N262 VanDerWaalsContact O-N 3.09Å; L258-N262 PolarHBondContact O-ND2 3.43Å
263	Q	74.9	Confident	79.6	Confident	140 Å²	140	58.5 Å²	58.5	65%	0.654	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-37.6	-174.6	-58	-173.7	13.8	0	0	112.8	F259	F259-Q263 HydrophobicContact CD2-CB 3.86Å; F259-Q263 HydrophobicContact CD2-CG 4.23Å; F259-Q263 HydrophobicContact CE2-CB 3.92Å; F259-Q263 VanDerWaalsContact CE2-OE1 3.23Å; F259-Q263 HydrophobicContact CG-CB 4.46Å; F259-Q263 WeakPolarHBondContact O-CA 3.38Å; F259-Q263 WeakPolarHBondContact O-CB 3.39Å; F259-Q263 PolarHBondContact O-N 2.78Å
264	F	79.1	Confident	80.1	Confident	51 Å²	51	60.6 Å²	60.6	22%	0.224	30%	0.297	C	S	.	.			trans	-71.9	133.8	175.5	-174	-101.6	0	0	0	110.2	I168 P169 I227 F259 Y260 L266	I168-F264 HydrophobicContact CG2-CD1 3.9Å; I168-F264 HydrophobicContact CG2-CE1 4.15Å; P169-F264 WeakPolarHBondContact CG-O 3.42Å; I227-F264 HydrophobicContact CD1-CD1 4.05Å; I227-F264 HydrophobicContact CD1-CE1 3.62Å; I227-F264 HydrophobicContact CD1-CE2 4.4Å; I227-F264 HydrophobicContact CD1-CZ 3.83Å; F259-F264 HydrophobicContact CE1-CB 4.36Å; F259-F264 PolarHBondContact O-N 2.83Å; Y260-F264 HydrophobicContact CD1-CB 3.82Å; Y260-F264 HydrophobicContact CD1-CD1 4.23Å; Y260-F264 HydrophobicContact CD1-CD2 4.3Å; Y260-F264 AromaticContact CD1-CG 3.87Å; Y260-F264 HydrophobicContact CD1-CG 3.87Å; Y260-F264 HydrophobicContact CE1-CD2 4.47Å; Y260-F264 HydrophobicContact CE1-CG 4.47Å; F264-L266 HydrophobicContact CE1-CD2 3.72Å; F264-L266 HydrophobicContact CE1-CG 4.24Å; F264-L266 HydrophobicContact CZ-CD2 4.36Å
265	Q	79.8	Confident	80.4	Confident	98 Å²	98	56 Å²	56	46%	0.458	27%	0.273	S	S	.	.			trans	-132	128.4	176.5	-67.2	-176.5	-1.5	0	0	109.4	P169 K171	P169-Q265 WeakPolarHBondContact O-CA 3.22Å; K171-Q265 HydrophobicContact CB-CB 4.1Å
266	L	82.5	Confident	80.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-66.1	159.3	174	-64	163.9	0	0	0	111	M161 I168 P169 I170 K171 W220 E223 I224 F264 S268	M161-L266 HydrophobicContact CB-CD1 4.36Å; I168-L266 HydrophobicContact CB-CD1 4.31Å; I168-L266 HydrophobicContact CG2-CD1 3.62Å; I168-L266 HydrophobicContact CG2-CD2 4.17Å; I168-L266 HydrophobicContact CG2-CG 3.68Å; P169-L266 PolarHBondContact O-N 2.97Å; I170-L266 HydrophobicContact CG1-CB 4.14Å; I170-L266 HydrophobicContact CG1-CD1 3.68Å; I170-L266 HydrophobicContact CG1-CG 4.49Å; K171-L266 WeakPolarHBondContact CB-O 3.44Å; K171-L266 PolarHBondContact N-O 3.26Å; W220-L266 HydrophobicContact CB-CD1 4.21Å; W220-L266 HydrophobicContact CB-CD2 4.33Å; W220-L266 HydrophobicContact CG-CB 4.21Å; W220-L266 HydrophobicContact CG-CD1 4.17Å; E223-L266 HydrophobicContact CB-CD2 3.85Å; E223-L266 WeakPolarHBondContact OE2-CA 3.39Å; E223-L266 WeakPolarHBondContact OE2-CD2 3.38Å; I224-L266 HydrophobicContact CD1-CD1 3.76Å; I224-L266 HydrophobicContact CD1-CD2 3.93Å; I224-L266 HydrophobicContact CD1-CG 4.48Å; I224-L266 HydrophobicContact CG1-CD1 4.31Å; I224-L266 HydrophobicContact CG1-CD2 3.59Å; F264-L266 HydrophobicContact CE1-CD2 3.72Å; F264-L266 HydrophobicContact CE1-CG 4.24Å; F264-L266 HydrophobicContact CZ-CD2 4.36Å; L266-S268 PolarHBondContact O-N 3.31Å
267	S	82.6	Confident	80.4	Confident	39 Å²	39	56 Å²	56	27%	0.273	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-49.8	141.2	175.1	45.1	0	0	0	0	112.9	W220 E223	W220-S267 VanDerWaalsContact CD1-OG 3.23Å; W220-S267 WeakPolarHBondContact CZ2-O 3.42Å; W220-S267 PolarHBondContact NE1-O 3.45Å; W220-S267 PolarHBondContact NE1-OG 2.72Å; E223-S267 WeakPolarHBondContact OE1-CB 3.48Å; E223-S267 PolarHBondContact OE1-OG 2.89Å; E223-S267 PolarHBondContact OE2-N 3.47Å; E223-S267 VanDerWaalsContact OE2-N 3.16Å
268	S	84.6	Confident	79.5	Confident	58 Å²	58	57.5 Å²	57.5	41%	0.406	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-67.4	144.7	-175.3	52.5	0	0	0	0	112	L266	L266-S268 PolarHBondContact O-N 3.31Å
269	P	85.4	Confident	78.5	Confident	9 Å²	9	58.6 Å²	58.6	6%	0.058	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-55.3	147.9	170	-23	32.9	0	0	0	112.1	L159 I170 I173 F196 Y213 L215 W220	L159-P269 HydrophobicContact CD1-CG 3.75Å; I170-P269 HydrophobicContact CG2-CG 4.07Å; I173-P269 HydrophobicContact CD1-CB 4.38Å; I173-P269 HydrophobicContact CD1-CG 4.21Å; F196-P269 HydrophobicContact CE1-CB 3.87Å; F196-P269 HydrophobicContact CE1-CG 4.07Å; Y213-P269 HydrophobicContact CD1-CB 4.03Å; Y213-P269 HydrophobicContact CG-CB 4.47Å; L215-P269 HydrophobicContact CD2-CB 4.03Å; L215-P269 HydrophobicContact CD2-CG 4.13Å; W220-P269 HydrophobicContact CH2-CG 4.25Å; W220-P269 HydrophobicContact CZ2-CG 4.13Å
270	V	84.2	Confident	77	Confident	79 Å²	79	58.5 Å²	58.5	48%	0.479	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.3	-179.2	-178.5	0	0	0	0	108.9	Y213 R214 L272	Y213-V270 CarbonylContact C-O 3.51Å; Y213-V270 WeakPolarHBondContact CA-O 3.33Å; R214-V270 HydrophobicContact CB-CB 4.42Å; R214-V270 PolarHBondContact N-O 3.02Å; R214-V270 PolarHBondContact O-N 3.27Å; V270-L272 PolarHBondContact O-N 2.87Å
271	L	83.5	Confident	74.7	Confident	41 Å²	41	61.5 Å²	61.5	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	120.4	171.7	178.9	62.6	0	0	0	108.7	E211 Y213 E551	E211-L271 HydrophobicContact CB-CD1 4.01Å; E211-L271 HydrophobicContact CG-CD1 4.05Å; Y213-L271 VanDerWaalsContact CD1-CA 3.48Å; Y213-L271 HydrophobicContact CD1-CB 3.96Å; Y213-L271 HydrophobicContact CD1-CD1 4.2Å; Y213-L271 HydrophobicContact CD2-CD1 4.45Å; Y213-L271 HydrophobicContact CE1-CB 3.6Å; Y213-L271 HydrophobicContact CE1-CD1 3.73Å; Y213-L271 HydrophobicContact CE1-CG 4.22Å; Y213-L271 HydrophobicContact CE2-CD1 4.05Å; L271-E551 HydrophobicContact CD2-CG 4.5Å
272	L	79.8	Confident	72.3	Confident	30 Å²	30	66.5 Å²	66.5	16%	0.157	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-41.4	173.5	-66.7	179.9	0	0	0	110.8	Y195 V212 R214 V270 F547	Y195-L272 HydrophobicContact CD1-CD1 3.89Å; Y195-L272 HydrophobicContact CE1-CD1 3.82Å; V212-L272 HydrophobicContact CG1-CD1 4.31Å; V212-L272 WeakPolarHBondContact O-CB 3.47Å; V212-L272 PolarHBondContact O-N 3.22Å; R214-L272 HydrophobicContact CB-CD1 4Å; R214-L272 HydrophobicContact CB-CD2 3.97Å; R214-L272 HydrophobicContact CB-CG 3.93Å; V270-L272 PolarHBondContact O-N 2.87Å; L272-F547 HydrophobicContact CB-CB 3.87Å; L272-F547 HydrophobicContact CB-CD1 4.14Å; L272-F547 HydrophobicContact CB-CG 3.98Å
273	G	80.7	Confident	70.1	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-178.6	174.7	0	0	0	0	0	114.9	V212 E551	V212-G273 PolarHBondContact N-O 3.32Å; V212-G273 PolarHBondContact O-N 2.81Å; G273-E551 CarbonylContact C-O 3.57Å; G273-E551 WeakPolarHBondContact CA-O 3.43Å
274	R	84.4	Confident	68	Low	73 Å²	73	65.3 Å²	65.3	28%	0.275	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.9	-175.7	-72.6	171	169.2	164.7	-4.3	110.4	L210 E211 E551	L210-R274 CarbonylContact O-C 3.57Å; L210-R274 VanDerWaalsContact O-CA 3.27Å; L210-R274 WeakPolarHBondContact O-CA 3.5Å; E211-R274 HydrophobicContact CG-CG 3.62Å; E211-R274 IonicContact OE1-CZ 3.95Å; E211-R274 VanDerWaalsContact OE1-CZ 3.22Å; E211-R274 IonicContact OE1-NE 2.67Å; E211-R274 PolarHBondContact OE1-NE 2.88Å; E211-R274 IonicContact OE1-NH2 4Å; E211-R274 PolarHBondContact OE1-NH2 2.8Å; R274-E551 PolarHBondContact N-O 3.45Å
275	I	83	Confident	65.7	Low	4 Å²	4	66.9 Å²	66.9	2%	0.021	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	109.4	171.9	-54.7	168.7	0	0	0	107.3	W209 L210 V212 V531 Y542 F547	W209-I275 WeakPolarHBondContact CA-O 2.97Å; W209-I275 WeakPolarHBondContact CB-O 2.93Å; L210-I275 HydrophobicContact CB-CB 4.18Å; L210-I275 PolarHBondContact N-O 3.35Å; L210-I275 PolarHBondContact O-N 2.77Å; V212-I275 HydrophobicContact CG2-CD1 3.97Å; V212-I275 HydrophobicContact CG2-CG1 4.45Å; I275-V531 HydrophobicContact CD1-CG2 4.16Å; I275-Y542 HydrophobicContact CD1-CD1 4.24Å; I275-Y542 HydrophobicContact CD1-CD2 3.78Å; I275-Y542 HydrophobicContact CD1-CE1 4.43Å; I275-Y542 HydrophobicContact CD1-CE2 4.01Å; I275-Y542 HydrophobicContact CD1-CG 3.9Å; I275-Y542 HydrophobicContact CG1-CD1 4.35Å; I275-Y542 HydrophobicContact CG1-CE1 4.23Å; I275-Y542 HydrophobicContact CG1-CE2 4.45Å; I275-Y542 HydrophobicContact CG2-CE1 4.28Å; I275-Y542 HydrophobicContact CG2-CE2 3.83Å; I275-Y542 WeakPolarHBondContact CG2-OH 3.37Å; I275-F547 HydrophobicContact CD1-CZ 4.28Å; I275-F547 HydrophobicContact CG1-CE1 4.47Å
276	K	81.7	Confident	63.2	Low	111 Å²	111	65.4 Å²	65.4	48%	0.483	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	158.7	178	-65.2	171	-174.9	159.4	0	110.2	W209 Q278 W533	W209-K276 HydrophobicContact CB-CG 3.93Å; K276-Q278 PolarHBondContact O-N 3.3Å; K276-Q278 VanDerWaalsContact O-N 3.08Å; K276-W533 VanDerWaalsContact C-CZ2 3.41Å
277	Y	72.2	Confident	61	Low	116 Å²	116	75 Å²	75	46%	0.455	42%	0.422	S	S	.	.			trans	-56.6	117.4	170.4	-177.3	-98.8	0	0	0	109.2	V279 C497 W533	Y277-V279 HydrophobicContact CD1-CG2 4.07Å; Y277-V279 HydrophobicContact CE1-CG2 4.25Å; Y277-V279 PolarHBondContact O-N 2.91Å; Y277-C497 HydrophobicContact CD2-CB 4.37Å; Y277-C497 HydrophobicContact CE2-CB 4.26Å; Y277-C497 WeakPolarHBondContact CE2-SG 3.32Å; Y277-W533 VanDerWaalsContact CA-CZ2 3.45Å; Y277-W533 HydrophobicContact CD2-CB 3.95Å; Y277-W533 AromaticContact CD2-CD2 3.49Å; Y277-W533 HydrophobicContact CD2-CD2 3.49Å; Y277-W533 VanDerWaalsContact CD2-CD2 3.49Å; Y277-W533 AromaticContact CD2-CE3 3.64Å; Y277-W533 HydrophobicContact CD2-CE3 3.64Å; Y277-W533 AromaticContact CD2-CG 3.59Å; Y277-W533 HydrophobicContact CD2-CG 3.59Å; Y277-W533 HydrophobicContact CD2-CZ3 4.29Å; Y277-W533 HydrophobicContact CE2-CB 3.86Å; Y277-W533 HydrophobicContact CE2-CD2 4.31Å; Y277-W533 AromaticContact CE2-CG 3.97Å; Y277-W533 HydrophobicContact CE2-CG 3.97Å; Y277-W533 HydrophobicContact CG-CD2 4.38Å; Y277-W533 HydrophobicContact CG-CE3 4.38Å; Y277-W533 VanDerWaalsContact N-CH2 3.34Å
278	Q	61.5	Low	58.8	Low	84 Å²	84	75.3 Å²	75.3	39%	0.393	42%	0.424	S	S	.	.			trans	-80	109.5	176.2	-65.6	-163.2	-1.8	0	0	108.5	K276 I280 I555	K276-Q278 PolarHBondContact O-N 3.3Å; K276-Q278 VanDerWaalsContact O-N 3.08Å; Q278-I280 VanDerWaalsContact C-N 3.27Å; Q278-I280 PolarHBondContact O-N 2.66Å; Q278-I555 VanDerWaalsContact OE1-CD1 3.32Å
279	V	52.6	Low	56.6	Low	113 Å²	113	77.8 Å²	77.8	69%	0.685	44%	0.436	S	S	*	.			trans	-70.6	94.5	162.6	-176.9	0	0	0	0	105.8	Y277	Y277-V279 HydrophobicContact CD1-CG2 4.07Å; Y277-V279 HydrophobicContact CE1-CG2 4.25Å; Y277-V279 PolarHBondContact O-N 2.91Å
280	I	50	Low	54.6	Low	86 Å²	86	81.8 Å²	81.8	44%	0.441	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-56.8	126.7	165.6	-60.4	169.6	0	0	0	105.2	Q278 P282 Y538	Q278-I280 VanDerWaalsContact C-N 3.27Å; Q278-I280 PolarHBondContact O-N 2.66Å; I280-P282 VanDerWaalsContact O-N 3.14Å; I280-Y538 HydrophobicContact CD1-CD2 3.89Å; I280-Y538 HydrophobicContact CD1-CE1 4.42Å; I280-Y538 HydrophobicContact CD1-CE2 3.58Å; I280-Y538 HydrophobicContact CD1-CG 4.44Å
281	P	31.5	Very low	52.8	Low	97 Å²	97	80.4 Å²	80.4	63%	0.63	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-52.5	128.2	-179.5	18	-28.9	0	0	0	107.9	S283	P281-S283 PolarHBondContact O-N 2.88Å
282	P	29.6	Very low	50.7	Low	111 Å²	111	80.1 Å²	80.1	72%	0.721	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-52.8	121.4	172.6	21.1	-29.6	0	0	0	105.6	I280 P284	I280-P282 VanDerWaalsContact O-N 3.14Å; P282-P284 VanDerWaalsContact O-N 3.1Å
283	S	28.7	Very low	48.8	Very low	68 Å²	68	84.4 Å²	84.4	48%	0.476	48%	0.483	S	S	.	.			trans	-35.7	124.9	166	167.4	0	0	0	0	107	P281 A285	P281-S283 PolarHBondContact O-N 2.88Å; S283-A285 WeakPolarHBondContact O-CA 3.11Å; S283-A285 PolarHBondContact O-N 2.91Å
284	P	30.6	Very low	47.2	Very low	104 Å²	104	91.3 Å²	91.3	68%	0.675	51%	0.514	S	S	*	.			trans	-51.1	113	-173.7	19.5	-30.7	0	0	0	106.4	P282 C286	P282-P284 VanDerWaalsContact O-N 3.1Å; P284-C286 PolarHBondContact O-N 3.01Å
285	A	30.6	Very low	45.3	Very low	84 Å²	84	95.3 Å²	95.3	69%	0.694	54%	0.535	S	S	*	.			trans	-44	105.4	-164.3	0	0	0	0	0	108.7	S283 K287	S283-A285 WeakPolarHBondContact O-CA 3.11Å; S283-A285 PolarHBondContact O-N 2.91Å; A285-K287 VanDerWaalsContact C-N 3.26Å; A285-K287 PolarHBondContact O-N 2.74Å
286	C	28.2	Very low	43.3	Very low	66 Å²	66	97.7 Å²	97.7	45%	0.446	56%	0.556	S	S	.	*			trans	-59.4	102.4	170.4	-93.1	0	0	0	0	104.3	P284 S288	P284-C286 PolarHBondContact O-N 3.01Å; C286-S288 VanDerWaalsContact O-CA 3.24Å; C286-S288 WeakPolarHBondContact O-CA 3.28Å; C286-S288 PolarHBondContact O-N 2.88Å
287	K	35.3	Very low	41.5	Very low	203 Å²	203	98.8 Å²	98.8	88%	0.883	57%	0.567	S	S	*	*	S	Bend	trans	-59.8	-13.8	-172.6	-76.9	-172.8	177	-179.2	0	112.7	A285	A285-K287 VanDerWaalsContact C-N 3.26Å; A285-K287 PolarHBondContact O-N 2.74Å
288	S	37.8	Very low	40.1	Very low	44 Å²	44	99.8 Å²	99.8	31%	0.308	58%	0.58	S	S	.	*			trans	-164.8	159.5	136.1	75	0	0	0	0	108	C286 T290 A291 A292	C286-S288 VanDerWaalsContact O-CA 3.24Å; C286-S288 WeakPolarHBondContact O-CA 3.28Å; C286-S288 PolarHBondContact O-N 2.88Å; S288-T290 PolarHBondContact O-N 3.09Å; S288-T290 WeakPolarHBondContact OG-CA 3.4Å; S288-T290 VanDerWaalsContact OG-CB 3.24Å; S288-T290 WeakPolarHBondContact OG-CB 3.39Å; S288-T290 PolarHBondContact OG-N 2.99Å; S288-T290 PolarHBondContact OG-OG1 2.82Å; S288-A291 WeakPolarHBondContact O-CB 3.25Å; S288-A291 PolarHBondContact O-N 2.96Å; S288-A291 PolarHBondContact OG-N 3.28Å; S288-A292 PolarHBondContact O-N 2.99Å
289	V	37.7	Very low	38.9	Very low	110 Å²	110	104.2 Å²	104.2	67%	0.667	60%	0.598	S	S	*	*	H	α-helix	trans	-52.3	-36.2	167.9	175.4	0	0	0	0	110.4	A291 A292 L293	V289-A291 PolarHBondContact O-N 3.48Å; V289-A292 PolarHBondContact O-N 2.87Å; V289-L293 HydrophobicContact CG1-CD1 4.26Å; V289-L293 WeakPolarHBondContact O-CB 3.47Å; V289-L293 PolarHBondContact O-N 2.73Å
290	T	43.5	Very low	38.1	Very low	94 Å²	94	103.2 Å²	103.2	58%	0.577	60%	0.601	S	S	*	*	H	α-helix	trans	-62.9	-36.6	175.8	-1.6	0	0	0	0	113.4	S288 K294	S288-T290 PolarHBondContact O-N 3.09Å; S288-T290 WeakPolarHBondContact OG-CA 3.4Å; S288-T290 VanDerWaalsContact OG-CB 3.24Å; S288-T290 WeakPolarHBondContact OG-CB 3.39Å; S288-T290 PolarHBondContact OG-N 2.99Å; S288-T290 PolarHBondContact OG-OG1 2.82Å; T290-K294 WeakPolarHBondContact O-CB 3.47Å; T290-K294 WeakPolarHBondContact O-CG 3.44Å; T290-K294 PolarHBondContact O-N 3.25Å
291	A	45.9	Very low	37.3	Very low	50 Å²	50	106 Å²	106	41%	0.413	62%	0.617	S	S	.	*	H	α-helix	trans	-70.9	-39.1	176.3	0	0	0	0	0	111.7	S288 V289 K294 Q295	S288-A291 WeakPolarHBondContact O-CB 3.25Å; S288-A291 PolarHBondContact O-N 2.96Å; S288-A291 PolarHBondContact OG-N 3.28Å; V289-A291 PolarHBondContact O-N 3.48Å; A291-K294 PolarHBondContact O-N 3.33Å; A291-Q295 PolarHBondContact O-N 2.96Å
292	A	39.3	Very low	37.2	Very low	34 Å²	34	108 Å²	108	28%	0.281	62%	0.622	S	S	.	*	H	α-helix	trans	-65.8	-43.5	174.3	0	0	0	0	0	111.5	S288 V289 Q295 A296	S288-A292 PolarHBondContact O-N 2.99Å; V289-A292 PolarHBondContact O-N 2.87Å; A292-Q295 PolarHBondContact O-N 3.27Å; A292-A296 PolarHBondContact O-N 2.88Å
293	L	39.7	Very low	37	Very low	120 Å²	120	110.7 Å²	110.7	63%	0.628	63%	0.629	S	S	*	*	H	α-helix	trans	-64.8	-40.8	175.5	-119.9	89.3	0	0	0	112.3	V289 A296 N297	V289-L293 HydrophobicContact CG1-CD1 4.26Å; V289-L293 WeakPolarHBondContact O-CB 3.47Å; V289-L293 PolarHBondContact O-N 2.73Å; L293-A296 PolarHBondContact O-N 2.87Å; L293-N297 PolarHBondContact O-N 3.09Å
294	K	46.7	Very low	37	Very low	146 Å²	146	112.2 Å²	112.2	64%	0.635	64%	0.64	S	S	*	*	H	α-helix	trans	-63.3	-43.3	175.8	-86.6	-174.4	172.2	-175.4	0	112.1	T290 A291 A296 N297 D298	T290-K294 WeakPolarHBondContact O-CB 3.47Å; T290-K294 WeakPolarHBondContact O-CG 3.44Å; T290-K294 PolarHBondContact O-N 3.25Å; A291-K294 PolarHBondContact O-N 3.33Å; K294-A296 VanDerWaalsContact C-N 3.27Å; K294-A296 PolarHBondContact O-N 2.78Å; K294-N297 PolarHBondContact O-N 3.3Å; K294-D298 PolarHBondContact O-N 2.73Å
295	Q	46.3	Very low	36.9	Very low	157 Å²	157	116.1 Å²	116.1	73%	0.734	64%	0.643	S	S	*	*	H	α-helix	trans	-62.9	-34.8	174.2	-89	-172.4	-5.9	0	0	112.8	A291 A292	A291-Q295 PolarHBondContact O-N 2.96Å; A292-Q295 PolarHBondContact O-N 3.27Å
296	A	41	Very low	36.8	Very low	54 Å²	54	117 Å²	117	45%	0.446	64%	0.643	S	S	.	*	H	α-helix	trans	-68.6	-36.3	175.6	0	0	0	0	0	112.1	A292 L293 K294	A292-A296 PolarHBondContact O-N 2.88Å; L293-A296 PolarHBondContact O-N 2.87Å; K294-A296 VanDerWaalsContact C-N 3.27Å; K294-A296 PolarHBondContact O-N 2.78Å
297	N	42.1	Very low	37	Very low	133 Å²	133	121.2 Å²	121.2	71%	0.711	66%	0.661	S	S	*	*	H	α-helix	trans	-80.1	-31.3	-176.8	-147.4	24	0	0	0	113.3	L293 K294 K299	L293-N297 PolarHBondContact O-N 3.09Å; K294-N297 PolarHBondContact O-N 3.3Å; N297-K299 PolarHBondContact O-N 2.88Å
298	D	42.9	Very low	36.6	Very low	137 Å²	137	118.5 Å²	118.5	73%	0.733	66%	0.656	S	S	*	*	S	Bend	trans	-76.7	-6.7	-176.5	-72.6	-16.1	0	0	0	113.9	K294	K294-D298 PolarHBondContact O-N 2.73Å
299	K	37.3	Very low	36.1	Very low	177 Å²	177	118.9 Å²	118.9	77%	0.77	67%	0.667	S	S	*	*			trans	-118.7	75.6	172.6	-69	-172.5	-179.5	-178.3	0	110.3	N297 N301	N297-K299 PolarHBondContact O-N 2.88Å; K299-N301 PolarHBondContact O-N 3.25Å
300	A	34.6	Very low	35.8	Very low	92 Å²	92	119 Å²	119	76%	0.76	67%	0.668	S	S	*	*			trans	-62.3	23.9	174.9	0	0	0	0	0	115.5
301	N	34.4	Very low	35.5	Very low	144 Å²	144	120.2 Å²	120.2	77%	0.77	67%	0.667	S	S	*	*	S	Bend	trans	-142.4	115.1	179.3	-78.7	-37.8	0	0	0	111.8	K299	K299-N301 PolarHBondContact O-N 3.25Å
302	L	28.3	Very low	34.8	Very low	139 Å²	139	124.7 Å²	124.7	73%	0.728	68%	0.683	S	S	*	*			trans	63	96.5	138.6	-124.4	103.7	0	0	0	119.6	S304	L302-S304 PolarHBondContact O-N 3.43Å; L302-S304 PolarHBondContact O-OG 3.4Å; L302-S304 VanDerWaalsContact O-OG 3.13Å
303	L	27.2	Very low	34.8	Very low	169 Å²	169	128.6 Å²	128.6	89%	0.885	69%	0.694	S	S	*	*				53.8	29.9	120.2	-73.6	162.6	0	0	0	120.4
304	S	27	Very low	34.9	Very low	99 Å²	99	125.8 Å²	125.8	69%	0.692	68%	0.684	S	S	*	*			trans	-121.5	61.2	-179.9	-48.4	0	0	0	0	113.4	L302	L302-S304 PolarHBondContact O-N 3.43Å; L302-S304 PolarHBondContact O-OG 3.4Å; L302-S304 VanDerWaalsContact O-OG 3.13Å
305	Y	29.5	Very low	34.7	Very low	187 Å²	187	125.2 Å²	125.2	73%	0.733	69%	0.688	S	S	*	*			trans	-100	65.3	170.8	-72.7	-78.7	0	0	0	111
306	S	28.8	Very low	34.7	Very low	102 Å²	102	120.5 Å²	120.5	71%	0.713	68%	0.676	S	S	*	*	S	Bend	trans	-102	-2.8	174.9	57.5	0	0	0	0	114.6
307	N	31.3	Very low	35	Very low	154 Å²	154	121.7 Å²	121.7	82%	0.824	67%	0.674	S	S	*	*	S	Bend	trans	-130	9.3	-177	-78.5	-19.8	0	0	0	115.9
308	L	26.7	Very low	35.5	Very low	147 Å²	147	118.3 Å²	118.3	77%	0.77	66%	0.655	S	S	*	*	S	Bend	trans	-112.3	100.8	163.3	-85.7	96.5	0	0	0	108.5	T310	L308-T310 PolarHBondContact O-N 2.57Å
309	G	27.9	Very low	36	Very low	52 Å²	52	116.9 Å²	116.9	54%	0.536	64%	0.644	S	S	.	*			trans	-52.7	129.8	179	0	0	0	0	0	112.7	H311	G309-H311 VanDerWaalsContact C-N 3.32Å; G309-H311 PolarHBondContact O-CD2 2.8Å; G309-H311 PolarHBondContact O-N 2.83Å
310	T	31.3	Very low	37.2	Very low	111 Å²	111	112.6 Å²	112.6	68%	0.681	63%	0.633	S	S	*	*	S	Bend	trans	59.2	0.2	140.3	51.2	0	0	0	0	121.7	L308	L308-T310 PolarHBondContact O-N 2.57Å
311	H	36.5	Very low	38.2	Very low	120 Å²	120	111.8 Å²	111.8	56%	0.556	62%	0.616	S	S	*	*			trans	-117.8	1.6	-161.2	-67.6	-57.2	0	0	0	119.9	G309	G309-H311 VanDerWaalsContact C-N 3.32Å; G309-H311 PolarHBondContact O-CD2 2.8Å; G309-H311 PolarHBondContact O-N 2.83Å
312	L	32.7	Very low	39.1	Very low	144 Å²	144	110.1 Å²	110.1	75%	0.754	60%	0.603	S	S	*	*			trans	-148.2	91.8	169.7	-70.2	172.4	0	0	0	109.7
313	F	39.1	Very low	40.4	Very low	117 Å²	117	107.8 Å²	107.8	51%	0.513	59%	0.591	S	S	.	*			trans	-71.1	132.6	157.2	-63.6	-68.4	0	0	0	106.6	I317 I318	F313-I317 HydrophobicContact CB-CB 4.24Å; F313-I317 HydrophobicContact CB-CG2 4.16Å; F313-I317 HydrophobicContact CD1-CB 4.41Å; F313-I317 HydrophobicContact CD1-CG2 3.5Å; F313-I317 VanDerWaalsContact CD1-CG2 3.5Å; F313-I317 HydrophobicContact CE1-CG2 4.3Å; F313-I317 HydrophobicContact CG-CG2 4.2Å; F313-I318 HydrophobicContact CB-CD1 4.13Å; F313-I318 HydrophobicContact CB-CG1 3.34Å; F313-I318 HydrophobicContact CG-CG1 4.38Å; F313-I318 WeakPolarHBondContact O-CD1 3.47Å
314	S	41.5	Very low	42	Very low	60 Å²	60	102 Å²	102	42%	0.42	57%	0.568	S	S	.	*			trans	-60.9	155.3	168	57.4	0	0	0	0	109.2	A316 I317 I318	S314-A316 PolarHBondContact O-N 2.92Å; S314-A316 VanDerWaalsContact O-N 3.1Å; S314-I317 CarbonylContact O-C 3.57Å; S314-I317 WeakPolarHBondContact O-CA 3.44Å; S314-I317 PolarHBondContact O-N 3.31Å; S314-I317 WeakPolarHBondContact OG-CD1 3.45Å; S314-I317 VanDerWaalsContact OG-CG1 3.26Å; S314-I317 WeakPolarHBondContact OG-CG1 3.34Å; S314-I317 PolarHBondContact OG-N 3.36Å; S314-I318 WeakPolarHBondContact O-CG1 3.45Å; S314-I318 PolarHBondContact O-N 2.8Å
315	D	41.6	Very low	43.6	Very low	135 Å²	135	102.6 Å²	102.6	72%	0.722	56%	0.558	S	S	*	*	H	α-helix	trans	-51.3	-38.7	176.2	-66.3	-30.3	0	0	0	111.1	I317 I318 E319	D315-I317 PolarHBondContact O-N 2.83Å; D315-I318 PolarHBondContact O-N 2.7Å; D315-E319 WeakPolarHBondContact O-CB 3.47Å; D315-E319 PolarHBondContact O-N 2.73Å
316	A	46.4	Very low	44.8	Very low	58 Å²	58	95.1 Å²	95.1	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-62.3	-38.3	174.3	0	0	0	0	0	113.9	S314 T320	S314-A316 PolarHBondContact O-N 2.92Å; S314-A316 VanDerWaalsContact O-N 3.1Å; A316-T320 VanDerWaalsContact O-CB 3.31Å; A316-T320 WeakPolarHBondContact O-CB 3.16Å; A316-T320 PolarHBondContact O-N 3.46Å; A316-T320 PolarHBondContact O-OG1 2.92Å
317	I	48.9	Very low	46.3	Very low	78 Å²	78	97.5 Å²	97.5	40%	0.4	53%	0.53	S	S	.	.	H	α-helix	trans	-78.1	-35.3	176.6	-63.4	164.8	0	0	0	110.8	F313 S314 D315 E319 T320 N321	F313-I317 HydrophobicContact CB-CB 4.24Å; F313-I317 HydrophobicContact CB-CG2 4.16Å; F313-I317 HydrophobicContact CD1-CB 4.41Å; F313-I317 HydrophobicContact CD1-CG2 3.5Å; F313-I317 VanDerWaalsContact CD1-CG2 3.5Å; F313-I317 HydrophobicContact CE1-CG2 4.3Å; F313-I317 HydrophobicContact CG-CG2 4.2Å; S314-I317 CarbonylContact O-C 3.57Å; S314-I317 WeakPolarHBondContact O-CA 3.44Å; S314-I317 PolarHBondContact O-N 3.31Å; S314-I317 WeakPolarHBondContact OG-CD1 3.45Å; S314-I317 VanDerWaalsContact OG-CG1 3.26Å; S314-I317 WeakPolarHBondContact OG-CG1 3.34Å; S314-I317 PolarHBondContact OG-N 3.36Å; D315-I317 PolarHBondContact O-N 2.83Å; I317-E319 VanDerWaalsContact C-N 3.29Å; I317-T320 PolarHBondContact O-N 3.48Å; I317-N321 WeakPolarHBondContact CG2-ND2 3.41Å; I317-N321 WeakPolarHBondContact O-CB 3.43Å; I317-N321 PolarHBondContact O-N 2.78Å; I317-N321 PolarHBondContact O-ND2 2.95Å
318	I	51.4	Low	47.4	Very low	63 Å²	63	98.2 Å²	98.2	32%	0.323	53%	0.528	S	S	.	.	H	α-helix	trans	-59.6	-46.8	171	-65.1	176.3	0	0	0	108.8	F313 S314 D315 N321 Q322	F313-I318 HydrophobicContact CB-CD1 4.13Å; F313-I318 HydrophobicContact CB-CG1 3.34Å; F313-I318 HydrophobicContact CG-CG1 4.38Å; F313-I318 WeakPolarHBondContact O-CD1 3.47Å; S314-I318 WeakPolarHBondContact O-CG1 3.45Å; S314-I318 PolarHBondContact O-N 2.8Å; D315-I318 PolarHBondContact O-N 2.7Å; I318-N321 PolarHBondContact O-N 2.91Å; I318-Q322 HydrophobicContact CG2-CG 4.19Å; I318-Q322 WeakPolarHBondContact O-CB 3.24Å; I318-Q322 WeakPolarHBondContact O-CG 3.37Å; I318-Q322 PolarHBondContact O-N 3.46Å
319	E	54.1	Low	48.7	Very low	107 Å²	107	98 Å²	98	50%	0.5	52%	0.517	S	S	.	.	H	α-helix	trans	-66.6	-43.2	179.3	-165.4	171.7	-148.6	0	0	111	D315 I317 N321 Q322 L323	D315-E319 WeakPolarHBondContact O-CB 3.47Å; D315-E319 PolarHBondContact O-N 2.73Å; I317-E319 VanDerWaalsContact C-N 3.29Å; E319-N321 PolarHBondContact O-N 3.46Å; E319-Q322 PolarHBondContact O-N 3.41Å; E319-L323 HydrophobicContact CG-CD1 4.42Å; E319-L323 VanDerWaalsContact O-CB 3.32Å; E319-L323 WeakPolarHBondContact O-CB 3.47Å; E319-L323 VanDerWaalsContact O-CG 3.23Å; E319-L323 WeakPolarHBondContact O-CG 3.29Å; E319-L323 PolarHBondContact O-N 3.08Å
320	T	62	Low	50	Low	86 Å²	86	102.9 Å²	102.9	53%	0.528	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-42.2	174	-53.6	0	0	0	0	111.6	A316 I317 L323 A324	A316-T320 VanDerWaalsContact O-CB 3.31Å; A316-T320 WeakPolarHBondContact O-CB 3.16Å; A316-T320 PolarHBondContact O-N 3.46Å; A316-T320 PolarHBondContact O-OG1 2.92Å; I317-T320 PolarHBondContact O-N 3.48Å; T320-L323 PolarHBondContact O-N 3.48Å; T320-A324 WeakPolarHBondContact O-CB 3.28Å; T320-A324 PolarHBondContact O-N 2.88Å
321	N	55.6	Low	50.8	Low	75 Å²	75	100.1 Å²	100.1	40%	0.401	51%	0.508	S	S	.	.	H	α-helix	trans	-71.9	-34.2	177.5	-75.7	-21.4	0	0	0	111.7	I317 I318 E319 F325	I317-N321 WeakPolarHBondContact CG2-ND2 3.41Å; I317-N321 WeakPolarHBondContact O-CB 3.43Å; I317-N321 PolarHBondContact O-N 2.78Å; I317-N321 PolarHBondContact O-ND2 2.95Å; I318-N321 PolarHBondContact O-N 2.91Å; E319-N321 PolarHBondContact O-N 3.46Å; N321-F325 WeakPolarHBondContact O-CA 3.45Å; N321-F325 WeakPolarHBondContact O-CB 3.32Å; N321-F325 PolarHBondContact O-N 3.09Å
322	Q	53.2	Low	51.5	Low	110 Å²	110	98.1 Å²	98.1	51%	0.514	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-48.4	172	-81.3	175.4	-0.4	0	0	109.5	I318 E319 F325 I326	I318-Q322 HydrophobicContact CG2-CG 4.19Å; I318-Q322 WeakPolarHBondContact O-CB 3.24Å; I318-Q322 WeakPolarHBondContact O-CG 3.37Å; I318-Q322 PolarHBondContact O-N 3.46Å; E319-Q322 PolarHBondContact O-N 3.41Å; Q322-F325 PolarHBondContact O-N 3.33Å; Q322-I326 WeakPolarHBondContact O-CB 3.47Å; Q322-I326 WeakPolarHBondContact O-CD1 3.47Å; Q322-I326 WeakPolarHBondContact O-CG1 3.19Å; Q322-I326 PolarHBondContact O-N 2.78Å
323	L	56	Low	52.3	Low	89 Å²	89	95.6 Å²	95.6	47%	0.466	50%	0.5	S	S	.	.	H	α-helix	trans	-61	-47	176	-73	170.6	0	0	0	111.3	E319 T320 F325 I326 E327 T336	E319-L323 HydrophobicContact CG-CD1 4.42Å; E319-L323 VanDerWaalsContact O-CB 3.32Å; E319-L323 WeakPolarHBondContact O-CB 3.47Å; E319-L323 VanDerWaalsContact O-CG 3.23Å; E319-L323 WeakPolarHBondContact O-CG 3.29Å; E319-L323 PolarHBondContact O-N 3.08Å; T320-L323 PolarHBondContact O-N 3.48Å; L323-F325 VanDerWaalsContact C-N 3.35Å; L323-F325 PolarHBondContact O-N 2.98Å; L323-I326 PolarHBondContact O-N 2.88Å; L323-E327 VanDerWaalsContact O-CB 3.29Å; L323-E327 WeakPolarHBondContact O-CB 3.38Å; L323-E327 PolarHBondContact O-N 2.96Å; L323-T336 HydrophobicContact CD2-CG2 4.41Å
324	A	61.1	Low	52.7	Low	48 Å²	48	94.2 Å²	94.2	40%	0.397	51%	0.505	S	S	.	.	H	α-helix	trans	-63	-39.9	176	0	0	0	0	0	112	T320 H328	T320-A324 WeakPolarHBondContact O-CB 3.28Å; T320-A324 PolarHBondContact O-N 2.88Å; A324-H328 VanDerWaalsContact O-CB 3.25Å; A324-H328 WeakPolarHBondContact O-CB 3.12Å; A324-H328 PolarHBondContact O-N 3.16Å
325	F	59.7	Low	52.8	Low	112 Å²	112	95.2 Å²	95.2	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-68.6	-36.9	176.5	-177	-93.3	0	0	0	112.1	N321 Q322 L323 R329 Y331	N321-F325 WeakPolarHBondContact O-CA 3.45Å; N321-F325 WeakPolarHBondContact O-CB 3.32Å; N321-F325 PolarHBondContact O-N 3.09Å; Q322-F325 PolarHBondContact O-N 3.33Å; L323-F325 VanDerWaalsContact C-N 3.35Å; L323-F325 PolarHBondContact O-N 2.98Å; F325-R329 PolarHBondContact O-N 2.98Å; F325-Y331 HydrophobicContact CD1-CE2 4.07Å; F325-Y331 AromaticContact CE1-CE2 3.78Å; F325-Y331 HydrophobicContact CE1-CE2 3.78Å
326	I	54.8	Low	53.1	Low	29 Å²	29	92.1 Å²	92.1	15%	0.149	49%	0.491	C	S	.	.	H	α-helix	trans	-66.7	-46.6	176.1	-75.8	166	0	0	0	110	Q322 L323 R329 N330 Y331 L335 T336	Q322-I326 WeakPolarHBondContact O-CB 3.47Å; Q322-I326 WeakPolarHBondContact O-CD1 3.47Å; Q322-I326 WeakPolarHBondContact O-CG1 3.19Å; Q322-I326 PolarHBondContact O-N 2.78Å; L323-I326 PolarHBondContact O-N 2.88Å; I326-R329 PolarHBondContact O-N 3.18Å; I326-N330 PolarHBondContact O-N 2.95Å; I326-Y331 HydrophobicContact CG1-CD2 4.46Å; I326-Y331 PolarHBondContact O-N 3.37Å; I326-L335 HydrophobicContact CD1-CB 4.22Å; I326-T336 HydrophobicContact CG2-CG2 4.15Å
327	E	60.4	Low	52.9	Low	153 Å²	153	92.9 Å²	92.9	72%	0.715	50%	0.497	S	S	*	.	H	α-helix	trans	-64.2	-43.4	177.8	-170.6	178.9	-168.2	0	0	111.4	L323 R329	L323-E327 VanDerWaalsContact O-CB 3.29Å; L323-E327 WeakPolarHBondContact O-CB 3.38Å; L323-E327 PolarHBondContact O-N 2.96Å; E327-R329 PolarHBondContact O-N 2.96Å; E327-R329 VanDerWaalsContact O-N 3.14Å
328	H	55.1	Low	52.7	Low	168 Å²	168	95.3 Å²	95.3	78%	0.778	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.1	-177.7	-149.8	40.8	0	0	0	114	A324	A324-H328 VanDerWaalsContact O-CB 3.25Å; A324-H328 WeakPolarHBondContact O-CB 3.12Å; A324-H328 PolarHBondContact O-N 3.16Å
329	R	52.7	Low	51.9	Low	143 Å²	143	97.7 Å²	97.7	54%	0.54	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	8.8	-174.4	-71.6	-80.3	-176.5	130.9	-0.4	113.8	F325 I326 E327 Y331	F325-R329 PolarHBondContact O-N 2.98Å; I326-R329 PolarHBondContact O-N 3.18Å; E327-R329 PolarHBondContact O-N 2.96Å; E327-R329 VanDerWaalsContact O-N 3.14Å; R329-Y331 VanDerWaalsContact C-N 3.32Å; R329-Y331 HydrophobicContact CB-CD2 3.64Å; R329-Y331 HydrophobicContact CB-CE2 3.4Å; R329-Y331 HydrophobicContact CG-CE2 4.15Å; R329-Y331 PolarHBondContact O-N 3.49Å
330	N	56.4	Low	51	Low	154 Å²	154	101.7 Å²	101.7	82%	0.824	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	45.2	178.7	-73.2	-20.7	0	0	0	113.6	I326	I326-N330 PolarHBondContact O-N 2.95Å
331	Y	48.9	Very low	49.7	Very low	53 Å²	53	103 Å²	103	21%	0.208	55%	0.554	C	S	.	*			trans	-69.2	152.3	173.6	-75.3	-86.3	0	0	0	111.4	F325 I326 R329 L335 Y623	F325-Y331 HydrophobicContact CD1-CE2 4.07Å; F325-Y331 AromaticContact CE1-CE2 3.78Å; F325-Y331 HydrophobicContact CE1-CE2 3.78Å; I326-Y331 HydrophobicContact CG1-CD2 4.46Å; I326-Y331 PolarHBondContact O-N 3.37Å; R329-Y331 VanDerWaalsContact C-N 3.32Å; R329-Y331 HydrophobicContact CB-CD2 3.64Å; R329-Y331 HydrophobicContact CB-CE2 3.4Å; R329-Y331 HydrophobicContact CG-CE2 4.15Å; R329-Y331 PolarHBondContact O-N 3.49Å; Y331-L335 HydrophobicContact CD1-CD1 4.16Å; Y331-L335 HydrophobicContact CG-CD1 4.35Å; Y331-Y623 HydrophobicContact CE1-CD2 4.02Å; Y331-Y623 HydrophobicContact CE1-CE2 4.3Å
332	P	50.1	Low	48.3	Very low	79 Å²	79	107.8 Å²	107.8	51%	0.513	57%	0.574	S	S	.	*			trans	-61.8	141.4	179	22.1	-30.8	0	0	0	112.3	C334 L335	P332-C334 PolarHBondContact O-N 3.32Å; P332-L335 PolarHBondContact O-N 3.31Å; P332-L335 VanDerWaalsContact O-N 3.08Å
333	S	49.6	Very low	47.2	Very low	90 Å²	90	109.8 Å²	109.8	63%	0.629	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-61.7	-13.6	-175.7	50.1	0	0	0	0	114.5	L335 T336 A337	S333-L335 PolarHBondContact O-N 3.44Å; S333-T336 WeakPolarHBondContact O-CA 3.26Å; S333-T336 WeakPolarHBondContact O-CB 3.35Å; S333-T336 PolarHBondContact O-N 2.83Å; S333-T336 PolarHBondContact O-OG1 3.19Å; S333-A337 PolarHBondContact O-N 2.85Å
334	C	48	Very low	45.9	Very low	89 Å²	89	112.1 Å²	112.1	60%	0.601	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-60.6	-22.2	170.9	59.6	0	0	0	0	113.2	P332 T336	P332-C334 PolarHBondContact O-N 3.32Å; C334-T336 VanDerWaalsContact C-N 3.31Å
335	L	42.5	Very low	44.4	Very low	81 Å²	81	118.4 Å²	118.4	42%	0.424	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-78.9	-11.8	169.7	-66.5	178.6	0	0	0	113.7	I326 Y331 P332 S333 L626	I326-L335 HydrophobicContact CD1-CB 4.22Å; Y331-L335 HydrophobicContact CD1-CD1 4.16Å; Y331-L335 HydrophobicContact CG-CD1 4.35Å; P332-L335 PolarHBondContact O-N 3.31Å; P332-L335 VanDerWaalsContact O-N 3.08Å; S333-L335 PolarHBondContact O-N 3.44Å; L335-L626 HydrophobicContact CD2-CD1 3.87Å
336	T	47.8	Very low	42.9	Very low	70 Å²	70	121.9 Å²	121.9	43%	0.429	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.2	-13.9	173.3	62.5	0	0	0	0	113	L323 I326 S333 C334 I338	L323-T336 HydrophobicContact CD2-CG2 4.41Å; I326-T336 HydrophobicContact CG2-CG2 4.15Å; S333-T336 WeakPolarHBondContact O-CA 3.26Å; S333-T336 WeakPolarHBondContact O-CB 3.35Å; S333-T336 PolarHBondContact O-N 2.83Å; S333-T336 PolarHBondContact O-OG1 3.19Å; C334-T336 VanDerWaalsContact C-N 3.31Å; T336-I338 PolarHBondContact O-N 3.16Å
337	A	42.4	Very low	41.6	Very low	73 Å²	73	127.8 Å²	127.8	60%	0.603	67%	0.669	S	S	*	*			trans	-73.9	97.2	-177.8	0	0	0	0	0	110.1	S333	S333-A337 PolarHBondContact O-N 2.85Å
338	I	46.1	Very low	39.9	Very low	130 Å²	130	126.3 Å²	126.3	67%	0.667	68%	0.676	S	S	*	*			trans	-53	132.4	164.7	-58.2	169.5	0	0	0	107.3	T336 K340	T336-I338 PolarHBondContact O-N 3.16Å; I338-K340 PolarHBondContact O-N 3Å
339	P	33.4	Very low	38.5	Very low	112 Å²	112	124 Å²	124	73%	0.727	67%	0.673	S	S	*	*			trans	-53.8	116	171.3	-18.4	28.6	0	0	0	107.7	P341	P339-P341 VanDerWaalsContact O-CD 3.28Å; P339-P341 WeakPolarHBondContact O-CD 3.16Å
340	K	34.9	Very low	37.1	Very low	192 Å²	192	122.8 Å²	122.8	84%	0.835	69%	0.686	S	S	*	*			trans	-53.1	120.6	173.5	-83.2	-179.4	178	176.9	0	106.9	I338 Q342	I338-K340 PolarHBondContact O-N 3Å; K340-Q342 PolarHBondContact O-N 3.44Å; K340-Q342 VanDerWaalsContact O-N 3.09Å
341	P	34.2	Very low	35.7	Very low	112 Å²	112	122 Å²	122	73%	0.727	69%	0.687	S	S	*	*			trans	-54.3	123.1	173.1	-20.1	30.3	0	0	0	106.8	P339 L343	P339-P341 VanDerWaalsContact O-CD 3.28Å; P339-P341 WeakPolarHBondContact O-CD 3.16Å; P341-L343 PolarHBondContact O-N 2.91Å
342	Q	27.7	Very low	34.5	Very low	176 Å²	176	127.6 Å²	127.6	82%	0.822	72%	0.715	S	S	*	*			trans	-58.1	116	169.3	-75.8	-151.3	-13.2	0	0	106.6	K340 D344	K340-Q342 PolarHBondContact O-N 3.44Å; K340-Q342 VanDerWaalsContact O-N 3.09Å; Q342-D344 VanDerWaalsContact C-N 3.27Å; Q342-D344 PolarHBondContact O-N 2.83Å
343	L	28.9	Very low	33.3	Very low	152 Å²	152	131.7 Å²	131.7	80%	0.796	73%	0.727	S	S	*	*			trans	-75.7	88.8	-177.4	-156.4	133.6	0	0	0	105.9	P341 E345	P341-L343 PolarHBondContact O-N 2.91Å; L343-E345 HydrophobicContact CD2-CG 4.21Å; L343-E345 PolarHBondContact O-N 2.75Å
344	D	30.1	Very low	32	Very low	139 Å²	139	136.7 Å²	136.7	74%	0.743	74%	0.738	S	S	*	*			trans	-62.3	102.3	169	-80.3	-34.7	0	0	0	107.4	Q342 K346	Q342-D344 VanDerWaalsContact C-N 3.27Å; Q342-D344 PolarHBondContact O-N 2.83Å; D344-K346 PolarHBondContact O-N 2.83Å
345	E	29.1	Very low	30.9	Very low	180 Å²	180	139.1 Å²	139.1	84%	0.841	74%	0.744	S	S	*	*			trans	-62.5	18.4	-179	-86.8	-171.3	156.2	0	0	115	L343	L343-E345 HydrophobicContact CD2-CG 4.21Å; L343-E345 PolarHBondContact O-N 2.75Å
346	K	28.3	Very low	30.1	Very low	184 Å²	184	143.9 Å²	143.9	80%	0.8	76%	0.763	S	S	*	*			trans	-119.5	75.9	180	-65.9	-177.7	-177.1	173.4	0	109.8	D344	D344-K346 PolarHBondContact O-N 2.83Å
347	N	28	Very low	29	Very low	153 Å²	153	145.2 Å²	145.2	82%	0.818	78%	0.776	S	S	*	*			trans	169.5	83.3	139.5	-81.7	-24.7	0	0	0	109.8	V349	N347-V349 PolarHBondContact O-N 3.05Å; N347-V349 VanDerWaalsContact O-N 3.09Å
348	S	23	Very low	28.3	Very low	123 Å²	123	147.5 Å²	147.5	86%	0.86	78%	0.784	S	S	*	*			trans	-65.4	99.3	162.7	54.5	0	0	0	0	109.7
349	V	27.4	Very low	27.3	Very low	120 Å²	120	150.1 Å²	150.1	73%	0.727	79%	0.794	S	S	*	*			trans	-127.8	104.9	158.4	-178.5	0	0	0	0	107.3	N347 V351	N347-V349 PolarHBondContact O-N 3.05Å; N347-V349 VanDerWaalsContact O-N 3.09Å; V349-V351 PolarHBondContact O-N 3.28Å
350	S	22.5	Very low	26.7	Very low	117 Å²	117	150.2 Å²	150.2	82%	0.818	80%	0.797	S	S	*	*			trans	-56.8	114.7	173.6	50.8	0	0	0	0	110.6
351	V	27	Very low	26.3	Very low	137 Å²	137	146.3 Å²	146.3	83%	0.83	79%	0.789	S	S	*	*			trans	-112.4	116.9	164.3	-179	0	0	0	0	107.3	V349	V349-V351 PolarHBondContact O-N 3.28Å
352	Q	24	Very low	26	Very low	170 Å²	170	149.7 Å²	149.7	79%	0.794	79%	0.792	S	S	*	*			trans	-61	135.4	-171.6	-157	121.8	-25.2	0	0	112.4	F354	Q352-F354 PolarHBondContact O-N 2.76Å
353	E	23.5	Very low	25.7	Very low	166 Å²	166	150.8 Å²	150.8	78%	0.776	80%	0.797	S	S	*	*			trans	-52.6	124.5	169.5	-73.3	170.7	129.3	0	0	111.7	I355	E353-I355 HydrophobicContact CB-CG1 4.33Å
354	F	23	Very low	25.6	Very low	194 Å²	194	151 Å²	151	85%	0.851	80%	0.798	S	S	*	*			trans	-97	100.3	157.9	-90.3	-89.9	0	0	0	108	Q352 E356	Q352-F354 PolarHBondContact O-N 2.76Å; F354-E356 PolarHBondContact O-N 3.3Å
355	I	25.5	Very low	25.4	Very low	141 Å²	141	149.6 Å²	149.6	72%	0.723	80%	0.799	S	S	*	*			trans	-86.2	99.3	169.2	-60.8	170.3	0	0	0	106.5	E353	E353-I355 HydrophobicContact CB-CG1 4.33Å
356	E	25.7	Very low	25.1	Very low	180 Å²	180	149.9 Å²	149.9	84%	0.841	80%	0.8	S	S	*	*			trans	-97.4	110.8	164.6	-80.7	-174.3	167.5	0	0	109.3	F354	F354-E356 PolarHBondContact O-N 3.3Å
357	S	25.1	Very low	25.1	Very low	99 Å²	99	146.5 Å²	146.5	69%	0.692	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-71.5	144	178.8	174.4	0	0	0	0	111.6	E359	S357-E359 PolarHBondContact O-N 2.67Å
358	P	26.9	Very low	25	Very low	120 Å²	120	144.9 Å²	144.9	78%	0.779	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-81.7	116.7	-176.1	32	-33	0	0	0	112
359	E	26.1	Very low	25	Very low	185 Å²	185	144.8 Å²	144.8	86%	0.864	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-81.8	116.5	170.8	-78.7	-172.1	156.4	0	0	111.6	S357	S357-E359 PolarHBondContact O-N 2.67Å
360	S	21.1	Very low	25	Very low	115 Å²	115	148.6 Å²	148.6	80%	0.804	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-77.8	116.8	168.4	53.1	0	0	0	0	111.3
361	V	26.1	Very low	25	Very low	109 Å²	109	154 Å²	154	66%	0.661	80%	0.8	S	S	*	*			trans	-143.7	110.4	168.3	-175.2	0	0	0	0	112.5
362	K	27.3	Very low	25	Very low	183 Å²	183	153 Å²	153	80%	0.796	80%	0.799	S	S	*	*			trans	71.7	100.3	145.2	-66.4	172	-174.8	175.7	0	120.1
363	Q	21.1	Very low	25.1	Very low	199 Å²	199	152.8 Å²	152.8	93%	0.93	80%	0.798	S	S	*	*			trans	-47.7	125.7	144.8	-70.1	169.3	-26.7	0	0	111.1
364	I	26.9	Very low	25.2	Very low	156 Å²	156	150.7 Å²	150.7	80%	0.8	80%	0.798	S	S	*	*			trans	-118.5	129	162.4	-65.9	173.9	0	0	0	107.4
365	S	25.4	Very low	25.4	Very low	110 Å²	110	150.6 Å²	150.6	77%	0.769	80%	0.8	S	S	*	*			trans	-55	134.2	-177.1	43.8	0	0	0	0	116.8
366	E	22.5	Very low	25.3	Very low	186 Å²	186	149.4 Å²	149.4	87%	0.869	80%	0.804	S	S	*	*			trans	-67	164.8	141.2	-65.4	-178.2	157.8	0	0	109.6
367	P	28.7	Very low	25.3	Very low	113 Å²	113	145.7 Å²	145.7	73%	0.734	80%	0.804	S	S	*	*			cis	-135.7	-174.6	12.1	36.9	-15.9	0	0	0	113.6
368	T	25.4	Very low	25.3	Very low	120 Å²	120	145.8 Å²	145.8	74%	0.736	81%	0.805	S	S	*	*				147	103.1	128.9	-46	0	0	0	0	112
369	T	23.6	Very low	25.2	Very low	121 Å²	121	145.8 Å²	145.8	74%	0.742	81%	0.808	S	S	*	*			trans	39.6	108.3	137.1	-38.9	0	0	0	0	119.5
370	E	28.5	Very low	25.3	Very low	199 Å²	199	144.4 Å²	144.4	93%	0.93	81%	0.805	S	S	*	*			trans	-148.1	108.1	135.1	-113.2	175.4	-151.2	0	0	111.1
371	R	21.2	Very low	25.4	Very low	231 Å²	231	147.7 Å²	147.7	87%	0.872	81%	0.805	S	S	*	*			trans	-88.8	101.6	-178.5	178.5	-174.4	-173.1	-172	2.9	107.6
372	S	28.4	Very low	25.3	Very low	116 Å²	116	151.2 Å²	151.2	81%	0.811	81%	0.814	S	S	*	*			trans	-119.5	129	164	53	0	0	0	0	110.1
373	Q	25.9	Very low	25.3	Very low	166 Å²	166	151.7 Å²	151.7	78%	0.776	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-75.4	159.2	-169.4	-89.2	-172.1	-43.3	0	0	113.5
374	P	25.3	Very low	25.4	Very low	121 Å²	121	149.1 Å²	149.1	79%	0.786	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-80.5	132.9	-172.2	32.4	-33.7	0	0	0	112.2	S376	P374-S376 PolarHBondContact O-N 2.98Å
375	H	26.4	Very low	25.4	Very low	193 Å²	193	152.9 Å²	152.9	89%	0.894	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-73.3	121.7	170.5	-72.3	-67.6	0	0	0	110.6
376	S	24.7	Very low	25.1	Very low	115 Å²	115	152.6 Å²	152.6	80%	0.804	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-72.5	151.1	174.8	38.8	0	0	0	0	112.6	P374 S378	P374-S376 PolarHBondContact O-N 2.98Å; S376-S378 PolarHBondContact O-N 2.92Å
377	A	24.2	Very low	25.5	Very low	102 Å²	102	150 Å²	150	84%	0.843	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-57.2	124.5	-176.2	0	0	0	0	0	113.4
378	S	25.2	Very low	25.2	Very low	101 Å²	101	154.4 Å²	154.4	71%	0.706	82%	0.823	S	S	*	*			trans	-90.6	109.6	169.4	58	0	0	0	0	110.3	S376 I380	S376-S378 PolarHBondContact O-N 2.92Å; S378-I380 PolarHBondContact O-N 2.91Å; S378-I380 VanDerWaalsContact O-N 3.1Å
379	S	25.8	Very low	25.3	Very low	121 Å²	121	154.6 Å²	154.6	85%	0.846	83%	0.83	S	S	*	*			trans	-68.1	97.6	168	-59.4	0	0	0	0	109.8	K381	S379-K381 PolarHBondContact O-N 3.03Å
380	I	26.9	Very low	25.4	Very low	156 Å²	156	154.2 Å²	154.2	80%	0.8	83%	0.832	S	S	*	*			trans	-82	114	173.6	-65.7	175.3	0	0	0	109.2	S378	S378-I380 PolarHBondContact O-N 2.91Å; S378-I380 VanDerWaalsContact O-N 3.1Å
381	K	24.9	Very low	25.5	Very low	184 Å²	184	154.8 Å²	154.8	80%	0.8	83%	0.831	S	S	*	*			trans	-63	139.7	176.7	-75.7	172.8	172.9	174.7	0	112.6	S379	S379-K381 PolarHBondContact O-N 3.03Å
382	H	22.7	Very low	25.7	Very low	183 Å²	183	154.9 Å²	154.9	85%	0.847	83%	0.832	S	S	*	*			trans	1.3	110.7	148.1	-64.1	-75.6	0	0	0	117.3
383	Q	28.1	Very low	25.4	Very low	193 Å²	193	159.1 Å²	159.1	90%	0.902	84%	0.836	S	S	*	*			trans	-95.4	104.6	153.1	-83	-173.2	3.2	0	0	109.9	R385	Q383-R385 PolarHBondContact O-N 2.83Å
384	T	22.2	Very low	25.5	Very low	144 Å²	144	159.3 Å²	159.3	88%	0.883	84%	0.837	S	S	*	*			trans	-69.5	110.8	159	13.5	0	0	0	0	108.9
385	R	26.5	Very low	25.5	Very low	236 Å²	236	159.5 Å²	159.5	89%	0.891	84%	0.838	S	S	*	*			trans	-119.7	105.1	161.8	-144.7	175.9	-170.3	179.7	2.6	109.1	Q383	Q383-R385 PolarHBondContact O-N 2.83Å
386	S	20.8	Very low	25.5	Very low	104 Å²	104	157.7 Å²	157.7	73%	0.727	83%	0.833	S	S	*	*			trans	-74.5	142.6	165.6	54.2	0	0	0	0	109.5
387	T	29.3	Very low	25.4	Very low	132 Å²	132	159.9 Å²	159.9	81%	0.81	84%	0.836	S	S	*	*			trans	-178.3	103.9	139.5	23.1	0	0	0	0	111.3
388	K	24.4	Very low	25.7	Very low	204 Å²	204	166.4 Å²	166.4	89%	0.887	84%	0.838	S	S	*	*			trans	10.4	116	144.2	-62.8	172.3	177.4	175.6	0	118
389	S	27.1	Very low	25.6	Very low	125 Å²	125	169.9 Å²	169.9	87%	0.874	84%	0.844	S	S	*	*				-138.8	122.1	128.5	69.9	0	0	0	0	109.8
390	S	25.5	Very low	25.6	Very low	112 Å²	112	172.3 Å²	172.3	78%	0.783	84%	0.841	S	S	*	*			trans	-95	123.3	-177.3	-66.3	0	0	0	0	109.7
391	K	29.3	Very low	25.5	Very low	211 Å²	211	174.7 Å²	174.7	92%	0.917	85%	0.846	S	S	*	*			trans	-137.8	94.5	149.4	-86.6	-171.4	178.6	174.5	0	110.1
392	R	25.9	Very low	25.4	Very low	234 Å²	234	174.8 Å²	174.8	88%	0.883	85%	0.849	S	S	*	*			trans	-9.3	116.5	159	-118.2	169	174.3	169.5	-2.6	115.8
393	K	22.8	Very low	25.6	Very low	204 Å²	204	175.5 Å²	175.5	89%	0.887	85%	0.85	S	S	*	*			trans	-100.8	130.4	149.4	-77.1	-178.8	174.4	179.9	0	107.6
394	Q	27.3	Very low	25.4	Very low	171 Å²	171	172 Å²	172	80%	0.799	84%	0.842	S	S	*	*			trans	-137	132.4	153.5	-85.1	-165.1	-8.2	0	0	109.2
395	P	24.8	Very low	25.6	Very low	124 Å²	124	172.1 Å²	172.1	81%	0.805	84%	0.843	S	S	*	*			trans	-92.1	141.2	180	35.3	-30.1	0	0	0	110.9
396	I	26.7	Very low	25.5	Very low	155 Å²	155	168.5 Å²	168.5	80%	0.795	84%	0.841	S	S	*	*			trans	-124.9	106.5	167.9	-66.6	174.6	0	0	0	107.3
397	N	23.9	Very low	25.7	Very low	162 Å²	162	167.1 Å²	167.1	87%	0.866	84%	0.843	S	S	*	*			trans	-68.6	130.5	154.8	-93.5	-9.9	0	0	0	108
398	R	29.2	Very low	25.5	Very low	238 Å²	238	172.1 Å²	172.1	90%	0.898	85%	0.847	S	S	*	*			trans	-157	117.7	152.3	-108.7	171.6	-165.8	-172.5	3.3	110.2
399	E	24.6	Very low	25.5	Very low	175 Å²	175	169.3 Å²	169.3	82%	0.818	84%	0.842	S	S	*	*			trans	-61.7	155.3	173.6	-75.5	167.9	155.7	0	0	113.9
400	H	24	Very low	25.7	Very low	172 Å²	172	170.3 Å²	170.3	80%	0.796	84%	0.837	S	S	*	*			trans	41.8	105.6	146.1	-65.4	-66.8	0	0	0	119.1
401	K	26.4	Very low	25.9	Very low	206 Å²	206	171.6 Å²	171.6	90%	0.896	84%	0.836	S	S	*	*			trans	-132.1	105.7	144.6	-93.7	-172.8	176	179.2	0	110.5	K403	K401-K403 PolarHBondContact O-N 3.07Å
402	E	22.5	Very low	25.8	Very low	186 Å²	186	171.3 Å²	171.3	87%	0.869	83%	0.834	S	S	*	*			trans	-49.5	127	157.1	-65.4	169.4	141.8	0	0	109.7
403	K	27.3	Very low	25.9	Very low	197 Å²	197	170.5 Å²	170.5	86%	0.857	84%	0.837	S	S	*	*			trans	-127.2	98.5	159.6	-95.5	-172.4	175.7	-177.3	0	108.6	K401	K401-K403 PolarHBondContact O-N 3.07Å
404	T	21.9	Very low	26	Very low	121 Å²	121	165.4 Å²	165.4	74%	0.742	83%	0.834	S	S	*	*			trans	-44.4	125.2	156.8	37.5	0	0	0	0	111.8
405	T	27.6	Very low	26.2	Very low	146 Å²	146	166.7 Å²	166.7	90%	0.896	84%	0.839	S	S	*	*			trans	-122.8	101.9	151.6	34.8	0	0	0	0	108.1
406	N	23.4	Very low	26.3	Very low	159 Å²	159	169.7 Å²	169.7	85%	0.85	84%	0.84	S	S	*	*			trans	-71.8	147.6	168.6	-78.5	-30.3	0	0	0	110.3
407	G	26.4	Very low	26.5	Very low	76 Å²	76	171.5 Å²	171.5	78%	0.784	85%	0.847	S	S	*	*			trans	176.3	71.3	166.4	0	0	0	0	0	118.4
408	R	25	Very low	26.7	Very low	237 Å²	237	169.9 Å²	169.9	89%	0.894	84%	0.838	S	S	*	*			trans	54.5	112.4	145.2	-85.6	175.8	161.6	157.5	-4.9	119.8
409	N	23.9	Very low	26.4	Very low	145 Å²	145	163.3 Å²	163.3	78%	0.775	84%	0.835	S	S	*	*				62.6	113.9	90.6	-86.2	1.8	0	0	0	116.2
410	N	30.3	Very low	26.5	Very low	145 Å²	145	161.2 Å²	161.2	78%	0.775	84%	0.835	S	S	*	*				-174.7	134.8	118.9	-89.6	-17.6	0	0	0	114.1
411	N	30.4	Very low	26.5	Very low	139 Å²	139	157.9 Å²	157.9	74%	0.743	84%	0.837	S	S	*	*			trans	65.1	104.1	153.4	-59.3	-17.7	0	0	0	119.7
412	K	26.6	Very low	26.6	Very low	205 Å²	205	156.3 Å²	156.3	89%	0.891	83%	0.833	S	S	*	*				52.5	97.6	80.3	-77.1	-170.9	178.2	179.1	0	115.1
413	K	28.8	Very low	26.8	Very low	217 Å²	217	153.5 Å²	153.5	94%	0.943	83%	0.828	S	S	*	*			trans	-142.4	121.8	139.3	-113.4	-178	178.4	-174.1	0	108.1
414	A	25.2	Very low	26.7	Very low	98 Å²	98	151.5 Å²	151.5	81%	0.81	83%	0.825	S	S	*	*			trans	-106.4	123.8	177.3	0	0	0	0	0	107.4
415	E	30.8	Very low	27.1	Very low	197 Å²	197	153.2 Å²	153.2	92%	0.921	83%	0.83	S	S	*	*			trans	-139.5	103.7	157.5	-90.7	176.8	-176	0	0	106.9
416	K	27	Very low	27	Very low	187 Å²	187	155 Å²	155	81%	0.813	83%	0.828	S	S	*	*			trans	-79.8	120.8	165.8	-92.9	178.9	168.6	-178	0	106.9
417	M	30.5	Very low	27.3	Very low	194 Å²	194	155.1 Å²	155.1	96%	0.956	83%	0.828	S	S	*	*			trans	-103	114.6	153.7	-82.7	-173.6	163.9	0	0	107.4
418	N	28.3	Very low	27.3	Very low	127 Å²	127	156.3 Å²	156.3	68%	0.679	82%	0.824	S	S	*	*			trans	-77.5	141.4	-178.8	-71.6	-30.7	0	0	0	110.4
419	A	23.3	Very low	27.4	Very low	101 Å²	101	152.3 Å²	152.3	84%	0.835	82%	0.82	S	S	*	*			trans	-77	130	156.3	0	0	0	0	0	109.2
420	T	27.9	Very low	27.7	Very low	131 Å²	131	155 Å²	155	80%	0.804	83%	0.825	S	S	*	*			trans	-144.7	117.9	160	29.9	0	0	0	0	108
421	A	23.7	Very low	27.5	Very low	101 Å²	101	154.6 Å²	154.6	84%	0.835	82%	0.823	S	S	*	*			trans	-85.6	127.2	167.7	0	0	0	0	0	108.6
422	E	27.8	Very low	27.6	Very low	174 Å²	174	155.8 Å²	155.8	81%	0.813	83%	0.83	S	S	*	*			trans	-145	110.2	163.7	-73.6	-172.6	163.1	0	0	107.1
423	T	27	Very low	27.5	Very low	126 Å²	126	153 Å²	153	77%	0.773	82%	0.824	S	S	*	*				92.4	119.4	90.6	-39	0	0	0	0	111.7
424	I	25.6	Very low	27.4	Very low	155 Å²	155	149.3 Å²	149.3	80%	0.795	82%	0.815	S	S	*	*			trans	-75.6	126.4	175.5	-64.3	161.5	0	0	0	107.7
425	D	29.8	Very low	27.6	Very low	158 Å²	158	154.3 Å²	154.3	85%	0.845	82%	0.818	S	S	*	*			trans	-129.8	121.8	163.9	-103.1	-24.9	0	0	0	109.7
426	E	24.8	Very low	27.3	Very low	184 Å²	184	150.5 Å²	150.5	86%	0.86	81%	0.814	S	S	*	*			trans	-73.8	128.3	173.9	-65.1	174.6	139.2	0	0	110.3
427	L	30.6	Very low	27.4	Very low	161 Å²	161	151.7 Å²	151.7	84%	0.843	82%	0.819	S	S	*	*			trans	-142.5	95.2	165	-98.6	162	0	0	0	111.9
428	S	27	Very low	27.1	Very low	101 Å²	101	152.2 Å²	152.2	71%	0.706	82%	0.816	S	S	*	*			trans	53.9	115.1	132.8	69.8	0	0	0	0	121.4
429	N	26.2	Very low	27.1	Very low	152 Å²	152	155.9 Å²	155.9	81%	0.813	83%	0.825	S	S	*	*			trans	-18.7	136.1	147.1	-68.9	-24.1	0	0	0	117.3
430	K	30.8	Very low	27.2	Very low	202 Å²	202	160.7 Å²	160.7	88%	0.878	83%	0.828	S	S	*	*			trans	-138.2	97.8	153.2	-148.9	171.8	-171.6	173.2	0	110.1
431	D	26.8	Very low	26.9	Very low	136 Å²	136	162.2 Å²	162.2	73%	0.727	83%	0.831	S	S	*	*			trans	-58.1	140.6	166.3	-73.1	-49.7	0	0	0	111.3
432	N	31.1	Very low	27.2	Very low	165 Å²	165	167.5 Å²	167.5	88%	0.882	84%	0.835	S	S	*	*			trans	-142.6	110.4	150.8	-96.8	-28.6	0	0	0	109.2
433	N	24.2	Very low	27	Very low	146 Å²	146	164.4 Å²	164.4	78%	0.781	83%	0.833	S	S	*	*			trans	-77.7	169.4	176.3	-107.2	-25.2	0	0	0	112.4
434	D	27.4	Very low	27	Very low	139 Å²	139	166.2 Å²	166.2	74%	0.743	84%	0.838	S	S	*	*			trans	84.9	103.9	154.1	-64.2	-29.9	0	0	0	120
435	K	29.9	Very low	27	Very low	204 Å²	204	166.7 Å²	166.7	89%	0.887	84%	0.842	S	S	*	*				-177.1	118.4	100.7	-96.3	161.6	-172.7	168.2	0	113
436	S	24	Very low	27	Very low	117 Å²	117	169 Å²	169	82%	0.818	84%	0.844	S	S	*	*			trans	-79.4	131.2	166.5	50.1	0	0	0	0	111.4
437	K	29.4	Very low	27.1	Very low	211 Å²	211	169.9 Å²	169.9	92%	0.917	85%	0.845	S	S	*	*			trans	-144.9	100.4	155.4	-81.6	-168.9	-179.6	169.9	0	110.9
438	K	23.1	Very low	27.1	Very low	206 Å²	206	171.1 Å²	171.1	90%	0.896	85%	0.847	S	S	*	*			trans	-64.2	135	159.1	-75.3	174.1	171.6	174.4	0	110
439	K	28.7	Very low	27.2	Very low	203 Å²	203	175.3 Å²	175.3	88%	0.883	86%	0.855	S	S	*	*			trans	-170.5	108.3	143.5	-108.7	171.4	-174.1	-178.8	0	113.8
440	K	25.9	Very low	27.5	Very low	203 Å²	203	175.8 Å²	175.8	88%	0.883	86%	0.856	S	S	*	*			trans	53.5	115.8	133	-73.3	-176.7	172.2	-178.6	0	121.5
441	N	22.4	Very low	27.5	Very low	162 Å²	162	174.9 Å²	174.9	87%	0.866	86%	0.855	S	S	*	*			trans	-27.4	133.9	150.6	-64.1	-10.6	0	0	0	116.1
442	K	29.3	Very low	27.9	Very low	212 Å²	212	175.7 Å²	175.7	92%	0.922	86%	0.858	S	S	*	*			trans	-144.4	107.8	148.8	-110.4	179.6	178.8	179.2	0	108.6
443	S	22.2	Very low	28.1	Very low	110 Å²	110	173.6 Å²	173.6	77%	0.769	85%	0.847	S	S	*	*			trans	-70.9	132.3	162.8	58.7	0	0	0	0	109
444	N	27.5	Very low	28.6	Very low	164 Å²	164	172.1 Å²	172.1	88%	0.877	84%	0.838	S	S	*	*			trans	-153.8	124.2	150.3	-108	-5.5	0	0	0	109.8
445	N	25.3	Very low	29	Very low	164 Å²	164	173.5 Å²	173.5	88%	0.877	84%	0.84	S	S	*	*			trans	-55.3	129.7	172.5	-77.4	-32.6	0	0	0	111.6
446	K	30.5	Very low	29.5	Very low	206 Å²	206	168.1 Å²	168.1	90%	0.896	83%	0.825	S	S	*	*			trans	-155.1	89.4	147.5	-110.4	177.1	-179.9	-173	0	109.2
447	K	26.1	Very low	30	Very low	204 Å²	204	168 Å²	168	89%	0.887	82%	0.815	S	S	*	*			trans	-69.1	113.1	154.4	-95.4	178.2	168.5	179	0	106.6
448	Q	30.7	Very low	30.2	Very low	187 Å²	187	163.4 Å²	163.4	87%	0.874	80%	0.8	S	S	*	*			trans	160.7	102.8	154.1	-93.4	164.1	9.7	0	0	107.3
449	E	30.3	Very low	30.9	Very low	189 Å²	189	161.5 Å²	161.5	88%	0.883	79%	0.791	S	S	*	*			trans	165.8	15.1	151.8	-96.1	176.5	175.3	0	0	115	E451	E449-E451 VanDerWaalsContact C-N 3.26Å; E449-E451 PolarHBondContact O-N 2.96Å
450	I	32.2	Very low	31.4	Very low	162 Å²	162	158 Å²	158	83%	0.831	78%	0.782	S	S	*	*			trans	-87.4	14	178.5	-56.3	171.9	0	0	0	112.6
451	E	31	Very low	31.8	Very low	182 Å²	182	155 Å²	155	85%	0.85	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	12.2	-174.7	-144	168	-161.2	0	0	114.6	E449	E449-E451 VanDerWaalsContact C-N 3.26Å; E449-E451 PolarHBondContact O-N 2.96Å
452	L	34.8	Very low	32.7	Very low	153 Å²	153	154.4 Å²	154.4	80%	0.801	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	-7.1	-179.8	-134.8	86.4	0	0	0	116.4
453	D	35.9	Very low	33.3	Very low	122 Å²	122	150.3 Å²	150.3	65%	0.652	76%	0.757	S	S	*	*	S	Bend	trans	-103.3	3.1	-175.5	-79.9	-22.1	0	0	0	114.9	N457	D453-N457 PolarHBondContact O-ND2 2.95Å
454	I	34.3	Very low	34.3	Very low	115 Å²	115	150.4 Å²	150.4	59%	0.59	75%	0.749	S	S	*	*	H	α-helix	trans	-87.2	-28.8	179.6	-60	177.6	0	0	0	111.8	L458	I454-L458 HydrophobicContact CG2-CD1 4.39Å
455	E	36.2	Very low	35.1	Very low	167 Å²	167	150.6 Å²	150.6	78%	0.78	75%	0.745	S	S	*	*	H	α-helix	trans	-76.7	-23.6	-177.2	-80.6	-168.7	153.3	0	0	114.5
456	T	39.2	Very low	36.3	Very low	92 Å²	92	146.7 Å²	146.7	56%	0.564	73%	0.727	S	S	*	*	H	α-helix	trans	-77.5	-33.3	176.5	22	0	0	0	0	112.4
457	N	34.3	Very low	37.2	Very low	115 Å²	115	141.6 Å²	141.6	62%	0.615	71%	0.709	S	S	*	*	H	α-helix	trans	-80.1	-14.2	179.8	-73.6	-45	0	0	0	114.2	D453 K459	D453-N457 PolarHBondContact O-ND2 2.95Å; N457-K459 VanDerWaalsContact C-N 3.33Å
458	L	34.4	Very low	38.3	Very low	114 Å²	114	137.6 Å²	137.6	60%	0.597	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-11.9	175	-87.6	167.3	0	0	0	113.8	I454	I454-L458 HydrophobicContact CG2-CD1 4.39Å
459	K	37.5	Very low	39.3	Very low	166 Å²	166	132.6 Å²	132.6	72%	0.722	68%	0.679	S	S	*	*	S	Bend	trans	-84	-21.2	178.6	-73.2	-173.5	178.1	177.2	0	114.2	N457	N457-K459 VanDerWaalsContact C-N 3.33Å
460	D	38.6	Very low	40.6	Very low	130 Å²	130	127.8 Å²	127.8	70%	0.695	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-1.1	179.5	-71.5	-16.8	0	0	0	113.6
461	L	35.8	Very low	41.7	Very low	140 Å²	140	125.2 Å²	125.2	73%	0.733	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	4.5	178.1	-105.6	148.6	0	0	0	114.1	I463	L461-I463 PolarHBondContact O-N 3.02Å
462	I	41.2	Very low	43	Very low	148 Å²	148	122.1 Å²	122.1	76%	0.759	64%	0.636	S	S	*	*			trans	-85	57.8	167.2	-46.4	177	0	0	0	108
463	I	41.8	Very low	44.3	Very low	127 Å²	127	121 Å²	121	65%	0.651	63%	0.625	S	S	*	*			trans	-89.5	111.2	163.2	-63.3	173.4	0	0	0	104.6	L461 E465	L461-I463 PolarHBondContact O-N 3.02Å; I463-E465 PolarHBondContact O-N 2.88Å
464	D	43.9	Very low	45.8	Very low	111 Å²	111	121.6 Å²	121.6	59%	0.594	62%	0.622	S	S	*	*			trans	-24.4	118	-179.1	-110.7	-18.3	0	0	0	113.1	T466 D467	D464-T466 WeakPolarHBondContact CB-OG1 3.44Å; D464-T466 PolarHBondContact O-N 3.41Å; D464-D467 PolarHBondContact O-N 2.95Å
465	E	44.3	Very low	47.1	Very low	169 Å²	169	122.8 Å²	122.8	79%	0.79	62%	0.623	S	S	*	*	H	α-helix	trans	-50.4	-22.8	172.3	-74.4	-175.7	145.8	0	0	112.1	I463 D467 L468 V469	I463-E465 PolarHBondContact O-N 2.88Å; E465-D467 PolarHBondContact O-N 2.92Å; E465-L468 PolarHBondContact O-N 2.85Å; E465-V469 VanDerWaalsContact O-CG2 3.3Å; E465-V469 WeakPolarHBondContact O-CG2 2.94Å; E465-V469 PolarHBondContact O-N 3.01Å; E465-V469 VanDerWaalsContact O-N 3.14Å
466	T	49.4	Very low	48.4	Very low	81 Å²	81	118.2 Å²	118.2	50%	0.497	61%	0.609	S	S	.	*	H	α-helix	trans	-56.6	-44.2	175.3	-10.1	0	0	0	0	113.6	D464 L468 V469 D470	D464-T466 WeakPolarHBondContact CB-OG1 3.44Å; D464-T466 PolarHBondContact O-N 3.41Å; T466-L468 PolarHBondContact O-N 3.34Å; T466-V469 PolarHBondContact O-N 3.2Å; T466-D470 PolarHBondContact O-N 2.82Å
467	D	49.1	Very low	49.8	Very low	99 Å²	99	119.5 Å²	119.5	53%	0.529	61%	0.609	S	S	.	*	H	α-helix	trans	-72.6	-30	-177	-85	-19.1	0	0	0	112.5	D464 E465 N471	D464-D467 PolarHBondContact O-N 2.95Å; E465-D467 PolarHBondContact O-N 2.92Å; D467-N471 PolarHBondContact O-N 3.01Å; D467-N471 PolarHBondContact O-ND2 3.28Å
468	L	49.7	Very low	51.6	Low	121 Å²	121	119.8 Å²	119.8	63%	0.634	61%	0.606	S	S	*	*	H	α-helix	trans	-73.5	-40.7	177.5	-121.6	163.6	0	0	0	111.2	E465 T466 N471 L472	E465-L468 PolarHBondContact O-N 2.85Å; T466-L468 PolarHBondContact O-N 3.34Å; L468-N471 PolarHBondContact O-N 3.05Å; L468-L472 HydrophobicContact CD2-CD1 4.42Å; L468-L472 PolarHBondContact O-N 3.21Å; L468-L472 VanDerWaalsContact O-N 3.1Å
469	V	52.5	Low	53.1	Low	82 Å²	82	119.3 Å²	119.3	50%	0.497	60%	0.604	S	S	.	*	H	α-helix	trans	-64.6	-42.6	175.2	174.7	0	0	0	0	110.7	E465 T466 N471 L472 F473	E465-V469 VanDerWaalsContact O-CG2 3.3Å; E465-V469 WeakPolarHBondContact O-CG2 2.94Å; E465-V469 PolarHBondContact O-N 3.01Å; E465-V469 VanDerWaalsContact O-N 3.14Å; T466-V469 PolarHBondContact O-N 3.2Å; V469-N471 VanDerWaalsContact C-N 3.35Å; V469-N471 PolarHBondContact O-N 3.02Å; V469-L472 PolarHBondContact O-N 3.43Å; V469-F473 WeakPolarHBondContact O-CB 3.44Å; V469-F473 PolarHBondContact O-N 2.7Å
470	D	56.4	Low	54.5	Low	87 Å²	87	115.9 Å²	115.9	47%	0.465	59%	0.591	S	S	.	*	H	α-helix	trans	-63.9	-37.7	178.1	-85.9	-6.1	0	0	0	112.8	T466 F473 K474	T466-D470 PolarHBondContact O-N 2.82Å; D470-F473 PolarHBondContact O-N 2.95Å; D470-K474 WeakPolarHBondContact O-CB 3.42Å; D470-K474 WeakPolarHBondContact O-CG 3.31Å; D470-K474 PolarHBondContact O-N 2.77Å
471	N	55.8	Low	56.1	Low	108 Å²	108	116.3 Å²	116.3	58%	0.578	59%	0.589	S	S	*	*	H	α-helix	trans	-67.8	-39.8	174.6	-88.8	-34.7	0	0	0	112.8	D467 L468 V469 K475	D467-N471 PolarHBondContact O-N 3.01Å; D467-N471 PolarHBondContact O-ND2 3.28Å; L468-N471 PolarHBondContact O-N 3.05Å; V469-N471 VanDerWaalsContact C-N 3.35Å; V469-N471 PolarHBondContact O-N 3.02Å; N471-K475 WeakPolarHBondContact O-CB 3.01Å; N471-K475 PolarHBondContact O-N 2.84Å
472	L	57.6	Low	57.8	Low	117 Å²	117	114 Å²	114	61%	0.613	58%	0.576	S	S	*	*	H	α-helix	trans	-64.2	-40.4	173.5	-93.5	151.4	0	0	0	111.7	L468 V469 K475 S476	L468-L472 HydrophobicContact CD2-CD1 4.42Å; L468-L472 PolarHBondContact O-N 3.21Å; L468-L472 VanDerWaalsContact O-N 3.1Å; V469-L472 PolarHBondContact O-N 3.43Å; L472-K475 PolarHBondContact O-N 2.88Å; L472-S476 WeakPolarHBondContact O-CB 3.45Å; L472-S476 PolarHBondContact O-N 2.89Å
473	F	62.5	Low	58.7	Low	131 Å²	131	116 Å²	116	58%	0.575	57%	0.574	S	S	*	*	H	α-helix	trans	-65	-44.2	177.1	-129.2	-87.2	0	0	0	112	V469 D470 K475 S476 Q477	V469-F473 WeakPolarHBondContact O-CB 3.44Å; V469-F473 PolarHBondContact O-N 2.7Å; D470-F473 PolarHBondContact O-N 2.95Å; F473-K475 VanDerWaalsContact C-N 3.35Å; F473-K475 PolarHBondContact O-N 3.02Å; F473-S476 PolarHBondContact O-N 2.8Å; F473-Q477 PolarHBondContact O-N 3.13Å
474	K	66.9	Low	59.9	Low	133 Å²	133	117.7 Å²	117.7	58%	0.578	57%	0.572	S	S	*	*	H	α-helix	trans	-60	-43.3	173.8	-79.4	175.3	-179.1	167.6	0	112.1	D470 Q477 Q478	D470-K474 WeakPolarHBondContact O-CB 3.42Å; D470-K474 WeakPolarHBondContact O-CG 3.31Å; D470-K474 PolarHBondContact O-N 2.77Å; K474-Q477 PolarHBondContact O-N 2.84Å; K474-Q478 WeakPolarHBondContact O-CB 3.42Å; K474-Q478 PolarHBondContact O-N 3.35Å
475	K	62.2	Low	60.9	Low	141 Å²	141	117.1 Å²	117.1	61%	0.613	57%	0.566	S	S	*	*	H	α-helix	trans	-67.4	-36.7	179.1	-151	174.7	-172.3	178.7	0	112	N471 L472 F473 N479	N471-K475 WeakPolarHBondContact O-CB 3.01Å; N471-K475 PolarHBondContact O-N 2.84Å; L472-K475 PolarHBondContact O-N 2.88Å; F473-K475 VanDerWaalsContact C-N 3.35Å; F473-K475 PolarHBondContact O-N 3.02Å; K475-N479 PolarHBondContact O-N 3.3Å; K475-N479 VanDerWaalsContact O-N 3.08Å
476	S	62.9	Low	61.5	Low	71 Å²	71	113.8 Å²	113.8	50%	0.497	55%	0.553	S	S	.	*	H	α-helix	trans	-66.4	-45.5	174.1	-175.4	0	0	0	0	112	L472 F473 Q478 N479 E480	L472-S476 WeakPolarHBondContact O-CB 3.45Å; L472-S476 PolarHBondContact O-N 2.89Å; F473-S476 PolarHBondContact O-N 2.8Å; S476-Q478 PolarHBondContact O-N 3.49Å; S476-N479 PolarHBondContact O-N 2.81Å; S476-E480 PolarHBondContact O-N 3.35Å
477	Q	68.9	Low	61.8	Low	118 Å²	118	114.6 Å²	114.6	55%	0.551	55%	0.554	S	S	*	*	H	α-helix	trans	-60.6	-42.8	174.8	-79.9	-175.5	-18.3	0	0	112.2	F473 K474 N479 E480 E481	F473-Q477 PolarHBondContact O-N 3.13Å; K474-Q477 PolarHBondContact O-N 2.84Å; Q477-N479 PolarHBondContact O-N 2.88Å; Q477-E480 PolarHBondContact O-N 3.31Å; Q477-E481 WeakPolarHBondContact O-CB 3.47Å; Q477-E481 PolarHBondContact O-N 3.1Å
478	Q	72.9	Confident	62.1	Low	122 Å²	122	115.4 Å²	115.4	57%	0.57	55%	0.553	S	S	*	*	H	α-helix	trans	-63.8	-41.2	178.6	-161.1	174.4	15.9	0	0	111.9	K474 S476 E480 E481 I482	K474-Q478 WeakPolarHBondContact O-CB 3.42Å; K474-Q478 PolarHBondContact O-N 3.35Å; S476-Q478 PolarHBondContact O-N 3.49Å; Q478-E480 VanDerWaalsContact C-N 3.33Å; Q478-E480 PolarHBondContact O-N 3.45Å; Q478-E481 PolarHBondContact O-N 3.48Å; Q478-I482 VanDerWaalsContact O-CG1 3.26Å; Q478-I482 WeakPolarHBondContact O-CG1 3.36Å; Q478-I482 PolarHBondContact O-N 3.03Å
479	N	65.9	Low	62.4	Low	103 Å²	103	113 Å²	113	55%	0.551	54%	0.54	S	S	*	.	H	α-helix	trans	-64.1	-37.9	173.5	-79.1	-18.7	0	0	0	112.5	K475 S476 Q477 R483	K475-N479 PolarHBondContact O-N 3.3Å; K475-N479 VanDerWaalsContact O-N 3.08Å; S476-N479 PolarHBondContact O-N 2.81Å; Q477-N479 PolarHBondContact O-N 2.88Å; N479-R483 WeakPolarHBondContact O-CB 3.31Å; N479-R483 PolarHBondContact O-N 2.92Å
480	E	65.6	Low	62.4	Low	94 Å²	94	115 Å²	115	44%	0.439	55%	0.548	S	S	.	.	H	α-helix	trans	-69.6	-36.1	178	-152.2	-178.7	146.4	0	0	111.7	S476 Q477 Q478 R483 R484	S476-E480 PolarHBondContact O-N 3.35Å; Q477-E480 PolarHBondContact O-N 3.31Å; Q478-E480 VanDerWaalsContact C-N 3.33Å; Q478-E480 PolarHBondContact O-N 3.45Å; E480-R483 PolarHBondContact O-N 2.8Å; E480-R484 WeakPolarHBondContact O-CG 3.37Å; E480-R484 PolarHBondContact O-N 2.96Å; E480-R484 IonicContact OE1-CZ 2.65Å; E480-R484 IonicContact OE1-NE 2.75Å; E480-R484 IonicContact OE1-NH2 3.58Å; E480-R484 PolarHBondContact OE1-NH2 2.99Å
481	E	72.6	Confident	62.2	Low	140 Å²	140	116.9 Å²	116.9	65%	0.654	56%	0.558	S	S	*	*	H	α-helix	trans	-67.8	-43.7	174.3	-168.3	160.9	-157.7	0	0	111.9	Q477 Q478 R483 R484 Q485	Q477-E481 WeakPolarHBondContact O-CB 3.47Å; Q477-E481 PolarHBondContact O-N 3.1Å; Q478-E481 PolarHBondContact O-N 3.48Å; E481-R483 VanDerWaalsContact C-N 3.29Å; E481-R483 PolarHBondContact O-N 3Å; E481-R484 PolarHBondContact O-N 3.09Å; E481-Q485 WeakPolarHBondContact O-CB 3.33Å; E481-Q485 PolarHBondContact O-N 2.87Å
482	I	72.4	Confident	61.9	Low	91 Å²	91	118.2 Å²	118.2	47%	0.467	56%	0.561	S	S	.	*	H	α-helix	trans	-58	-43.7	171.2	-68.3	163.9	0	0	0	110.4	Q478 Q485 L486	Q478-I482 VanDerWaalsContact O-CG1 3.26Å; Q478-I482 WeakPolarHBondContact O-CG1 3.36Å; Q478-I482 PolarHBondContact O-N 3.03Å; I482-Q485 PolarHBondContact O-N 2.84Å; I482-L486 HydrophobicContact CG2-CD1 3.97Å; I482-L486 HydrophobicContact CG2-CG 4.4Å; I482-L486 WeakPolarHBondContact O-CB 3.28Å; I482-L486 VanDerWaalsContact O-CG 3.31Å; I482-L486 WeakPolarHBondContact O-CG 3.19Å; I482-L486 PolarHBondContact O-N 3.17Å
483	R	60.4	Low	61.5	Low	189 Å²	189	116.7 Å²	116.7	71%	0.713	56%	0.556	S	S	*	*	H	α-helix	trans	-65.5	-39.4	178.3	-174	-177.7	157.7	98.8	1.4	112.1	N479 E480 E481 L487	N479-R483 WeakPolarHBondContact O-CB 3.31Å; N479-R483 PolarHBondContact O-N 2.92Å; E480-R483 PolarHBondContact O-N 2.8Å; E481-R483 VanDerWaalsContact C-N 3.29Å; E481-R483 PolarHBondContact O-N 3Å; R483-L487 WeakPolarHBondContact O-CB 3.45Å; R483-L487 PolarHBondContact O-N 2.81Å
484	R	65.2	Low	60.9	Low	164 Å²	164	118.5 Å²	118.5	62%	0.619	57%	0.566	S	S	*	*	H	α-helix	trans	-66.4	-41.3	174.4	-74.3	178.7	-160.6	-141.3	4.8	111.2	E480 E481 L487 K488	E480-R484 WeakPolarHBondContact O-CG 3.37Å; E480-R484 PolarHBondContact O-N 2.96Å; E480-R484 IonicContact OE1-CZ 2.65Å; E480-R484 IonicContact OE1-NE 2.75Å; E480-R484 IonicContact OE1-NH2 3.58Å; E480-R484 PolarHBondContact OE1-NH2 2.99Å; E481-R484 PolarHBondContact O-N 3.09Å; R484-L487 PolarHBondContact O-N 3.35Å; R484-K488 WeakPolarHBondContact O-CB 3.02Å; R484-K488 PolarHBondContact O-N 3.39Å
485	Q	66.2	Low	60.3	Low	98 Å²	98	115.3 Å²	115.3	46%	0.458	56%	0.559	S	S	.	*	H	α-helix	trans	-63	-48.3	176	-171.8	59.6	40	0	0	110.8	E481 I482 L487 K488 D489	E481-Q485 WeakPolarHBondContact O-CB 3.33Å; E481-Q485 PolarHBondContact O-N 2.87Å; I482-Q485 PolarHBondContact O-N 2.84Å; Q485-L487 VanDerWaalsContact C-N 3.3Å; Q485-L487 PolarHBondContact O-N 3.26Å; Q485-K488 CarbonylContact O-C 3.55Å; Q485-K488 WeakPolarHBondContact O-CA 3.14Å; Q485-K488 WeakPolarHBondContact O-CB 3.15Å; Q485-K488 PolarHBondContact O-N 3.15Å; Q485-D489 PolarHBondContact NE2-OD1 2.65Å; Q485-D489 PolarHBondContact O-N 3.38Å
486	L	57.1	Low	60.4	Low	100 Å²	100	112.5 Å²	112.5	52%	0.524	55%	0.547	S	S	.	.	H	α-helix	trans	-58.4	-40.7	174.4	-74.4	170.4	0	0	0	112.3	I482 K488 D489 L490	I482-L486 HydrophobicContact CG2-CD1 3.97Å; I482-L486 HydrophobicContact CG2-CG 4.4Å; I482-L486 WeakPolarHBondContact O-CB 3.28Å; I482-L486 VanDerWaalsContact O-CG 3.31Å; I482-L486 WeakPolarHBondContact O-CG 3.19Å; I482-L486 PolarHBondContact O-N 3.17Å; L486-K488 VanDerWaalsContact C-N 3.33Å; L486-D489 PolarHBondContact O-N 2.91Å; L486-L490 VanDerWaalsContact O-CB 3.25Å; L486-L490 WeakPolarHBondContact O-CB 3.43Å; L486-L490 WeakPolarHBondContact O-CD1 3.33Å; L486-L490 VanDerWaalsContact O-CG 3.23Å; L486-L490 WeakPolarHBondContact O-CG 3.28Å; L486-L490 PolarHBondContact O-N 2.82Å
487	L	55.5	Low	60.6	Low	98 Å²	98	110.9 Å²	110.9	51%	0.513	54%	0.535	S	S	.	.	H	α-helix	trans	-68.2	-35.4	176.5	-168.8	69.8	0	0	0	111.7	R483 R484 Q485 N491	R483-L487 WeakPolarHBondContact O-CB 3.45Å; R483-L487 PolarHBondContact O-N 2.81Å; R484-L487 PolarHBondContact O-N 3.35Å; Q485-L487 VanDerWaalsContact C-N 3.3Å; Q485-L487 PolarHBondContact O-N 3.26Å; L487-N491 VanDerWaalsContact O-CB 3.31Å; L487-N491 WeakPolarHBondContact O-CB 3.31Å; L487-N491 PolarHBondContact O-N 2.84Å; L487-N491 PolarHBondContact O-ND2 2.93Å; L487-N491 VanDerWaalsContact O-ND2 3.16Å
488	K	56	Low	61.1	Low	116 Å²	116	109.1 Å²	109.1	50%	0.504	52%	0.524	S	S	.	.	H	α-helix	trans	-66	-47.3	174.4	-139.2	-179.1	-179.7	-171.9	0	110.4	R484 Q485 L486 L490 N491 E492	R484-K488 WeakPolarHBondContact O-CB 3.02Å; R484-K488 PolarHBondContact O-N 3.39Å; Q485-K488 CarbonylContact O-C 3.55Å; Q485-K488 WeakPolarHBondContact O-CA 3.14Å; Q485-K488 WeakPolarHBondContact O-CB 3.15Å; Q485-K488 PolarHBondContact O-N 3.15Å; L486-K488 VanDerWaalsContact C-N 3.33Å; K488-L490 VanDerWaalsContact C-N 3.33Å; K488-L490 PolarHBondContact O-N 2.83Å; K488-N491 PolarHBondContact O-N 3.32Å; K488-N491 VanDerWaalsContact O-N 3.16Å; K488-E492 VanDerWaalsContact O-CB 3.32Å; K488-E492 WeakPolarHBondContact O-CB 3.15Å; K488-E492 WeakPolarHBondContact O-CG 3.24Å; K488-E492 PolarHBondContact O-N 2.93Å
489	D	55.8	Low	61.5	Low	69 Å²	69	103.5 Å²	103.5	37%	0.369	50%	0.498	S	S	.	.	H	α-helix	trans	-61.9	-41.3	176.2	-60.9	-17.5	0	0	0	110.8	Q485 L486 N491 V493	Q485-D489 PolarHBondContact NE2-OD1 2.65Å; Q485-D489 PolarHBondContact O-N 3.38Å; L486-D489 PolarHBondContact O-N 2.91Å; D489-N491 VanDerWaalsContact C-N 3.35Å; D489-N491 PolarHBondContact O-N 3.21Å; D489-V493 VanDerWaalsContact O-CB 3.31Å; D489-V493 WeakPolarHBondContact O-CB 3.29Å; D489-V493 WeakPolarHBondContact O-CG2 3.35Å; D489-V493 PolarHBondContact O-N 2.8Å
490	L	52.2	Low	62.3	Low	126 Å²	126	104.2 Å²	104.2	66%	0.66	49%	0.494	S	S	*	.	H	α-helix	trans	-64.8	-34.1	174.8	-81.8	161.1	0	0	0	113.4	L486 K488	L486-L490 VanDerWaalsContact O-CB 3.25Å; L486-L490 WeakPolarHBondContact O-CB 3.43Å; L486-L490 WeakPolarHBondContact O-CD1 3.33Å; L486-L490 VanDerWaalsContact O-CG 3.23Å; L486-L490 WeakPolarHBondContact O-CG 3.28Å; L486-L490 PolarHBondContact O-N 2.82Å; K488-L490 VanDerWaalsContact C-N 3.33Å; K488-L490 PolarHBondContact O-N 2.83Å
491	N	52	Low	63.2	Low	126 Å²	126	100.6 Å²	100.6	67%	0.674	48%	0.477	S	S	*	.	H	α-helix	trans	-85.6	-31.4	-179.9	-72.8	-25.1	0	0	0	112.7	L487 K488 D489	L487-N491 VanDerWaalsContact O-CB 3.31Å; L487-N491 WeakPolarHBondContact O-CB 3.31Å; L487-N491 PolarHBondContact O-N 2.84Å; L487-N491 PolarHBondContact O-ND2 2.93Å; L487-N491 VanDerWaalsContact O-ND2 3.16Å; K488-N491 PolarHBondContact O-N 3.32Å; K488-N491 VanDerWaalsContact O-N 3.16Å; D489-N491 VanDerWaalsContact C-N 3.35Å; D489-N491 PolarHBondContact O-N 3.21Å
492	E	49.8	Very low	63.6	Low	135 Å²	135	95.8 Å²	95.8	63%	0.631	45%	0.454	S	S	*	.	H	α-helix	trans	-76.9	-33.7	177.7	-75.7	-178.7	-169.5	0	0	111.6	K488 Q494	K488-E492 VanDerWaalsContact O-CB 3.32Å; K488-E492 WeakPolarHBondContact O-CB 3.15Å; K488-E492 WeakPolarHBondContact O-CG 3.24Å; K488-E492 PolarHBondContact O-N 2.93Å; E492-Q494 PolarHBondContact O-N 3.33Å; E492-Q494 VanDerWaalsContact O-N 3.15Å
493	V	48.6	Very low	64	Low	85 Å²	85	91.6 Å²	91.6	52%	0.515	43%	0.433	S	S	.	.	S	Bend	trans	-76.5	105.3	174.7	178.3	0	0	0	0	108.7	D489 P495	D489-V493 VanDerWaalsContact O-CB 3.31Å; D489-V493 WeakPolarHBondContact O-CB 3.29Å; D489-V493 WeakPolarHBondContact O-CG2 3.35Å; D489-V493 PolarHBondContact O-N 2.8Å; V493-P495 WeakPolarHBondContact O-CD 3.43Å
494	Q	49.4	Very low	64.7	Low	170 Å²	170	82.7 Å²	82.7	79%	0.794	40%	0.399	S	S	*	.			trans	-45.2	119	164	-79.1	-82.1	-25.9	0	0	108	E492 K496	E492-Q494 PolarHBondContact O-N 3.33Å; E492-Q494 VanDerWaalsContact O-N 3.15Å; Q494-K496 PolarHBondContact O-N 2.86Å; Q494-K496 VanDerWaalsContact O-N 3.12Å
495	P	54.3	Low	64.6	Low	65 Å²	65	76 Å²	76	42%	0.422	38%	0.377	S	S	.	.			trans	-57.7	123.1	-173.1	16.4	-27.8	0	0	0	109.6	V493 C497	V493-P495 WeakPolarHBondContact O-CD 3.43Å; P495-C497 PolarHBondContact O-N 2.8Å
496	K	64.2	Low	64.4	Low	83 Å²	83	74.1 Å²	74.1	36%	0.361	37%	0.369	S	S	.	.			trans	-56.7	133.7	-176.8	-70.5	-174.8	177.6	-171.3	0	110.3	E201 S206 Q494 Y498	E201-K496 IonicContact OE1-NZ 3.89Å; E201-K496 PolarHBondContact OE1-NZ 3.05Å; S206-K496 PolarHBondContact OG-NZ 3.25Å; Q494-K496 PolarHBondContact O-N 2.86Å; Q494-K496 VanDerWaalsContact O-N 3.12Å; K496-Y498 HydrophobicContact CB-CD2 4.32Å; K496-Y498 HydrophobicContact CB-CE2 3.64Å
497	C	68.4	Low	64	Low	37 Å²	37	70.2 Å²	70.2	25%	0.25	35%	0.351	C	S	.	.			trans	-96.5	112	179.8	-164.5	0	0	0	0	109.7	Y277 P495 S534	Y277-C497 HydrophobicContact CD2-CB 4.37Å; Y277-C497 HydrophobicContact CE2-CB 4.26Å; Y277-C497 WeakPolarHBondContact CE2-SG 3.32Å; P495-C497 PolarHBondContact O-N 2.8Å; C497-S534 VanDerWaalsContact CA-OG 3.3Å; C497-S534 WeakPolarHBondContact CA-OG 3.44Å; C497-S534 PolarHBondContact SG-O 2.84Å; C497-S534 PolarHBondContact SG-OG 3.46Å; C497-S534 VanDerWaalsContact SG-OG 3.4Å
498	Y	78.5	Confident	63.3	Low	80 Å²	80	67.1 Å²	67.1	31%	0.314	34%	0.335	S	S	.	.			trans	-99.4	136.3	-177.4	-69.7	-87.1	0	0	0	111	L185 I208 K496 S534	L185-Y498 HydrophobicContact CD1-CD1 4.43Å; L185-Y498 HydrophobicContact CD1-CE1 4.01Å; I208-Y498 HydrophobicContact CD1-CD1 3.39Å; I208-Y498 HydrophobicContact CD1-CE1 3.25Å; I208-Y498 HydrophobicContact CD1-CG 4.14Å; K496-Y498 HydrophobicContact CB-CD2 4.32Å; K496-Y498 HydrophobicContact CB-CE2 3.64Å; Y498-S534 PolarHBondContact N-OG 3.38Å; Y498-S534 PolarHBondContact O-N 2.97Å
499	P	82.2	Confident	62.3	Low	4 Å²	4	66.6 Å²	66.6	3%	0.026	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	139.7	173.5	32.3	-29.6	0	0	0	110.6	L199 I208 L210 V531 Y532 W533	L199-P499 HydrophobicContact CD1-CG 3.39Å; I208-P499 HydrophobicContact CG2-CG 4.07Å; L210-P499 HydrophobicContact CD1-CB 4.1Å; L210-P499 HydrophobicContact CD1-CG 4.44Å; L210-P499 HydrophobicContact CD2-CB 4.48Å; L210-P499 HydrophobicContact CD2-CG 4Å; L210-P499 HydrophobicContact CG-CB 4.22Å; L210-P499 HydrophobicContact CG-CG 4.02Å; P499-V531 HydrophobicContact CB-CG1 4.18Å; P499-Y532 CarbonylContact C-O 3.38Å; P499-Y532 WeakPolarHBondContact CA-O 3.22Å; P499-W533 HydrophobicContact CB-CD2 3.77Å; P499-W533 HydrophobicContact CB-CE3 3.55Å; P499-W533 HydrophobicContact CB-CH2 3.71Å; P499-W533 HydrophobicContact CB-CZ2 3.9Å; P499-W533 HydrophobicContact CB-CZ3 3.55Å; P499-W533 HydrophobicContact CG-CE3 3.97Å; P499-W533 HydrophobicContact CG-CH2 3.73Å; P499-W533 HydrophobicContact CG-CZ2 4.39Å; P499-W533 HydrophobicContact CG-CZ3 3.51Å
500	Y	81.7	Confident	61.2	Low	118 Å²	118	67.4 Å²	67.4	46%	0.463	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140	168.1	-66.9	-86.6	0	0	0	108.3	V531 Y532	Y500-V531 WeakPolarHBondContact O-CA 3.36Å; Y500-Y532 VanDerWaalsContact CB-CZ 3.43Å; Y500-Y532 HydrophobicContact CD2-CD2 4.49Å; Y500-Y532 HydrophobicContact CD2-CE1 4.37Å; Y500-Y532 AromaticContact CD2-CE2 3.73Å; Y500-Y532 HydrophobicContact CD2-CE2 3.73Å; Y500-Y532 AromaticContact CD2-CZ 3.65Å; Y500-Y532 HydrophobicContact CG-CE1 4.04Å; Y500-Y532 HydrophobicContact CG-CE2 4.22Å; Y500-Y532 AromaticContact CG-CZ 3.67Å; Y500-Y532 PolarHBondContact N-O 2.78Å; Y500-Y532 PolarHBondContact O-N 3.17Å; Y500-Y532 VanDerWaalsContact O-O 3.11Å
501	F	84	Confident	60.2	Low	18 Å²	18	68 Å²	68	8%	0.079	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	146.7	-171.6	62.8	-87.2	0	0	0	112.3	K188 I197 L199 L210 I529 C530 V531	K188-F501 HydrophobicContact CB-CE2 3.97Å; K188-F501 HydrophobicContact CD-CE2 4.03Å; K188-F501 HydrophobicContact CG-CE2 4Å; K188-F501 HydrophobicContact CG-CZ 4.33Å; I197-F501 HydrophobicContact CB-CD2 4.29Å; I197-F501 HydrophobicContact CB-CE2 3.76Å; I197-F501 HydrophobicContact CB-CZ 4.26Å; I197-F501 HydrophobicContact CD1-CD2 3.69Å; I197-F501 HydrophobicContact CD1-CE2 3.97Å; I197-F501 HydrophobicContact CG2-CD2 4.08Å; I197-F501 HydrophobicContact CG2-CE1 4.35Å; I197-F501 HydrophobicContact CG2-CE2 3.71Å; I197-F501 HydrophobicContact CG2-CZ 3.86Å; L199-F501 HydrophobicContact CB-CE1 4.44Å; L210-F501 HydrophobicContact CD1-CB 4.13Å; L210-F501 HydrophobicContact CD1-CD1 4Å; L210-F501 HydrophobicContact CD1-CG 4.21Å; L210-F501 HydrophobicContact CD2-CD1 3.56Å; L210-F501 HydrophobicContact CD2-CE1 3.57Å; L210-F501 HydrophobicContact CD2-CG 4.39Å; L210-F501 HydrophobicContact CD2-CZ 4.4Å; L210-F501 HydrophobicContact CG-CD1 4.46Å; F501-I529 HydrophobicContact CB-CG2 4.37Å; F501-C530 VanDerWaalsContact CA-O 3.25Å; F501-C530 WeakPolarHBondContact CA-O 3.14Å; F501-V531 HydrophobicContact CB-CG2 3.99Å
502	E	81.7	Confident	59.2	Low	39 Å²	39	68 Å²	68	18%	0.182	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143.1	174.4	-149	62.2	-134.9	0	0	110.6	K188 C530 I568 V570	K188-E502 IonicContact NZ-OE1 3.44Å; K188-E502 PolarHBondContact NZ-OE1 3.47Å; K188-E502 IonicContact NZ-OE2 3.53Å; K188-E502 PolarHBondContact NZ-OE2 2.97Å; E502-C530 PolarHBondContact N-O 3.44Å; E502-C530 PolarHBondContact O-N 2.66Å; E502-C530 PolarHBondContact O-SG 2.92Å; E502-C530 VanDerWaalsContact O-SG 3.34Å; E502-I568 HydrophobicContact CB-CD1 3.91Å; E502-I568 HydrophobicContact CB-CG1 4.22Å; E502-V570 HydrophobicContact CB-CG2 4.32Å; E502-V570 HydrophobicContact CG-CB 4.17Å; E502-V570 HydrophobicContact CG-CG2 3.73Å
503	F	80.2	Confident	58.1	Low	4 Å²	4	69.5 Å²	69.5	2%	0.018	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132.7	174.1	-75	-76.9	0	0	0	110.4	K188 I197 I529	K188-F503 HydrophobicContact CB-CE2 4.02Å; I197-F503 HydrophobicContact CB-CZ 4.33Å; I197-F503 HydrophobicContact CD1-CD1 4.25Å; I197-F503 HydrophobicContact CD1-CE1 3.55Å; I197-F503 HydrophobicContact CD1-CE2 3.87Å; I197-F503 HydrophobicContact CD1-CZ 3.36Å; I197-F503 HydrophobicContact CG1-CE1 3.97Å; I197-F503 HydrophobicContact CG1-CE2 4.28Å; I197-F503 HydrophobicContact CG1-CZ 3.52Å; F503-I529 HydrophobicContact CD1-CG1 4.1Å; F503-I529 HydrophobicContact CE1-CD1 4.44Å; F503-I529 HydrophobicContact CE1-CG1 4.14Å
504	L	76	Confident	57.1	Low	1 Å²	1	75.3 Å²	75.3	1%	0.005	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.1	173.2	-61	172.8	0	0	0	109.8	I506 L508 Y525 G527 S528 C530 F541 V570 L604 L618	L504-I506 PolarHBondContact O-N 3.15Å; L504-L508 HydrophobicContact CD1-CD1 4.29Å; L504-Y525 PolarHBondContact O-OH 3.41Å; L504-G527 VanDerWaalsContact O-CA 3.29Å; L504-G527 WeakPolarHBondContact O-CA 3.4Å; L504-S528 WeakPolarHBondContact CA-O 3.39Å; L504-S528 WeakPolarHBondContact CB-O 3.45Å; L504-S528 PolarHBondContact N-O 2.89Å; L504-S528 PolarHBondContact O-N 3.5Å; L504-C530 HydrophobicContact CD1-CB 3.93Å; L504-C530 HydrophobicContact CG-CB 4.33Å; L504-F541 HydrophobicContact CD1-CD1 3.72Å; L504-F541 HydrophobicContact CD1-CE1 3.79Å; L504-V570 HydrophobicContact CD2-CG2 3.74Å; L504-L604 HydrophobicContact CD2-CD1 4.24Å; L504-L604 HydrophobicContact CD2-CD2 4.25Å; L504-L618 HydrophobicContact CD2-CD1 3.87Å; L504-L618 HydrophobicContact CD2-CD2 4.12Å
505	P	63.8	Low	55.9	Low	25 Å²	25	71.4 Å²	71.4	16%	0.162	38%	0.383	C	S	.	.	S	Bend	trans	-68.8	-12.5	-177.6	23.1	-31.4	0	0	0	115.5	Y525 N602 L618	P505-Y525 WeakPolarHBondContact CA-OH 3.36Å; P505-Y525 HydrophobicContact CB-CE2 4.24Å; P505-Y525 WeakPolarHBondContact O-CE2 3.47Å; P505-N602 HydrophobicContact CG-CB 3.9Å; P505-N602 WeakPolarHBondContact CG-ND2 3.27Å; P505-L618 HydrophobicContact CG-CD1 4.07Å
506	I	60.7	Low	54.4	Low	57 Å²	57	77.1 Å²	77.1	29%	0.292	41%	0.405	S	S	.	.	S	Bend	trans	-131.4	146.1	-169.9	-58.8	168.9	0	0	0	109.4	L504 S526 L618 Q619	L504-I506 PolarHBondContact O-N 3.15Å; I506-S526 CarbonylContact C-O 3.54Å; I506-L618 HydrophobicContact CD1-CB 4.14Å; I506-Q619 HydrophobicContact CD1-CB 4.39Å; I506-Q619 HydrophobicContact CD1-CG 3.7Å
507	S	50.1	Low	52.5	Low	19 Å²	19	78.4 Å²	78.4	13%	0.133	41%	0.414	C	S	.	.			trans	-75.8	130.6	166.6	52.1	0	0	0	0	109	T509 S526	S507-T509 PolarHBondContact O-N 3.38Å; S507-S526 WeakPolarHBondContact CA-O 3.34Å; S507-S526 WeakPolarHBondContact CB-O 3.27Å; S507-S526 VanDerWaalsContact CB-OG 3.28Å; S507-S526 WeakPolarHBondContact CB-OG 3.14Å; S507-S526 PolarHBondContact N-O 2.63Å; S507-S526 PolarHBondContact OG-OG 2.84Å
508	L	40.7	Very low	50.3	Low	33 Å²	33	82.6 Å²	82.6	17%	0.173	44%	0.444	C	S	.	.			trans	-71.6	56.2	170.6	-72	151.2	0	0	0	110.1	L504 S510 F541	L504-L508 HydrophobicContact CD1-CD1 4.29Å; L508-S510 VanDerWaalsContact C-N 3.29Å; L508-S510 PolarHBondContact O-N 2.88Å; L508-F541 HydrophobicContact CD1-CB 4.36Å; L508-F541 HydrophobicContact CD1-CD1 3.43Å; L508-F541 VanDerWaalsContact CD1-CD1 3.43Å; L508-F541 HydrophobicContact CD1-CE1 3.89Å; L508-F541 HydrophobicContact CD1-CG 4.01Å
509	T	35	Very low	47.7	Very low	104 Å²	104	83.3 Å²	83.3	64%	0.638	46%	0.46	S	S	*	.			trans	-71.7	91.9	168	47.5	0	0	0	0	107.4	S507 D511	S507-T509 PolarHBondContact O-N 3.38Å; T509-D511 PolarHBondContact O-N 2.8Å
510	S	32.8	Very low	44.9	Very low	87 Å²	87	88.2 Å²	88.2	61%	0.608	49%	0.486	S	S	*	.			trans	-73.5	82	164.1	61.5	0	0	0	0	109	L508	L508-S510 VanDerWaalsContact C-N 3.29Å; L508-S510 PolarHBondContact O-N 2.88Å
511	D	30.9	Very low	42.3	Very low	137 Å²	137	89.6 Å²	89.6	73%	0.733	51%	0.507	S	S	*	.			trans	-129.1	99.3	155.3	-88.8	-37.5	0	0	0	107.9	T509 K513	T509-D511 PolarHBondContact O-N 2.8Å; D511-K513 PolarHBondContact O-N 3.36Å
512	S	29.6	Very low	39.5	Very low	127 Å²	127	94.9 Å²	94.9	89%	0.888	54%	0.536	S	S	*	.			trans	-67.6	47.4	166.5	55.3	0	0	0	0	111.4
513	K	27	Very low	37	Very low	166 Å²	166	100.5 Å²	100.5	72%	0.722	57%	0.566	S	S	*	*			trans	-124.3	110.7	164.9	-70.2	-171	179.3	-178.9	0	105.9	D511 S515	D511-K513 PolarHBondContact O-N 3.36Å; K513-S515 PolarHBondContact O-N 3.38Å
514	Q	27.2	Very low	34.9	Very low	207 Å²	207	104.5 Å²	104.5	97%	0.967	60%	0.595	S	S	*	*			trans	-51.2	85.5	158.4	-70.2	167.3	-25.2	0	0	107.8
515	S	24.6	Very low	33.4	Very low	88 Å²	88	106.7 Å²	106.7	62%	0.615	60%	0.603	S	S	*	*			trans	-97.4	107.3	167	47.3	0	0	0	0	107	K513 I517	K513-S515 PolarHBondContact O-N 3.38Å; S515-I517 PolarHBondContact O-N 2.87Å
516	E	22.9	Very low	32.8	Very low	186 Å²	186	107.6 Å²	107.6	87%	0.869	61%	0.611	S	S	*	*			trans	-40.3	104.2	162.9	-59.7	166.8	152.2	0	0	110.8
517	I	25.1	Very low	33.1	Very low	110 Å²	110	104.9 Å²	104.9	56%	0.564	60%	0.597	S	S	*	*			trans	-133.2	84.8	163.7	-52.1	178.4	0	0	0	108.6	S515 S519 L520	S515-I517 PolarHBondContact O-N 2.87Å; I517-S519 PolarHBondContact O-N 3.02Å; I517-L520 HydrophobicContact CG2-CD1 3.83Å
518	S	22.2	Very low	34.3	Very low	125 Å²	125	104 Å²	104	87%	0.874	59%	0.59	S	S	*	*			trans	-74.3	35.8	178	-43.8	0	0	0	0	113.9
519	S	22.8	Very low	36.3	Very low	94 Å²	94	102.4 Å²	102.4	66%	0.657	58%	0.582	S	S	*	*			trans	-158	50.6	-170.8	57.6	0	0	0	0	116.1	I517	I517-S519 PolarHBondContact O-N 3.02Å
520	L	24.9	Very low	38.6	Very low	107 Å²	107	97.5 Å²	97.5	56%	0.56	55%	0.552	S	S	*	*			trans	-132.9	76.8	169	-84.3	129.1	0	0	0	111.4	I517 N522 L523	I517-L520 HydrophobicContact CG2-CD1 3.83Å; L520-N522 PolarHBondContact O-N 3.45Å; L520-L523 HydrophobicContact CB-CD1 4.46Å
521	T	26.2	Very low	41.1	Very low	147 Å²	147	93.3 Å²	93.3	90%	0.902	52%	0.523	S	S	*	.	S	Bend	trans	-70	-2.1	163.6	41.1	0	0	0	0	113.2
522	N	25.5	Very low	43.5	Very low	129 Å²	129	87.2 Å²	87.2	69%	0.69	49%	0.49	S	S	*	.			trans	-115.6	71.5	170	-73.6	-26.2	0	0	0	108.9	L520 S524	L520-N522 PolarHBondContact O-N 3.45Å; N522-S524 PolarHBondContact O-N 2.89Å
523	L	29.5	Very low	45.9	Very low	157 Å²	157	81.3 Å²	81.3	82%	0.822	45%	0.448	S	S	*	.			trans	-64.1	88.7	167.4	-120.2	86.5	0	0	0	107.6	L520 Y525	L520-L523 HydrophobicContact CB-CD1 4.46Å; L523-Y525 PolarHBondContact O-N 2.91Å; L523-Y525 VanDerWaalsContact O-N 3.08Å
524	S	35.1	Very low	48.3	Very low	89 Å²	89	74.4 Å²	74.4	62%	0.622	42%	0.421	S	S	*	.			trans	-58.6	112.1	165.6	-60.9	0	0	0	0	105.2	N522 S526	N522-S524 PolarHBondContact O-N 2.89Å; S524-S526 PolarHBondContact O-N 3.02Å
525	Y	43.8	Very low	50.4	Low	46 Å²	46	72 Å²	72	18%	0.18	40%	0.403	C	S	.	.			trans	-48.3	101.5	173.2	-178.5	-91.1	0	0	0	109	C192 Y195 L504 P505 L523 G527 L544	C192-Y525 HydrophobicContact CB-CD1 4.26Å; C192-Y525 HydrophobicContact CB-CD2 3.87Å; C192-Y525 HydrophobicContact CB-CE1 4.48Å; C192-Y525 HydrophobicContact CB-CE2 4.12Å; C192-Y525 HydrophobicContact CB-CG 3.94Å; C192-Y525 WeakPolarHBondContact SG-CD1 3.49Å; C192-Y525 VanDerWaalsContact SG-CE1 3.52Å; Y195-Y525 HydrophobicContact CE2-CD1 4.16Å; L504-Y525 PolarHBondContact O-OH 3.41Å; P505-Y525 WeakPolarHBondContact CA-OH 3.36Å; P505-Y525 HydrophobicContact CB-CE2 4.24Å; P505-Y525 WeakPolarHBondContact O-CE2 3.47Å; L523-Y525 PolarHBondContact O-N 2.91Å; L523-Y525 VanDerWaalsContact O-N 3.08Å; Y525-G527 PolarHBondContact O-N 3.05Å; Y525-L544 HydrophobicContact CE1-CD1 4.43Å
526	S	51.5	Low	52.8	Low	45 Å²	45	68.4 Å²	68.4	32%	0.315	38%	0.378	S	S	.	.			trans	-88	54.1	173.9	56.2	0	0	0	0	108.1	I506 S507 S524	I506-S526 CarbonylContact C-O 3.54Å; S507-S526 WeakPolarHBondContact CA-O 3.34Å; S507-S526 WeakPolarHBondContact CB-O 3.27Å; S507-S526 VanDerWaalsContact CB-OG 3.28Å; S507-S526 WeakPolarHBondContact CB-OG 3.14Å; S507-S526 PolarHBondContact N-O 2.63Å; S507-S526 PolarHBondContact OG-OG 2.84Å; S524-S526 PolarHBondContact O-N 3.02Å
527	G	66.7	Low	55.3	Low	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.345	C	S	.	.			trans	-61.1	154	-179.7	0	0	0	0	0	111.6	L504 Y525 L544	L504-G527 VanDerWaalsContact O-CA 3.29Å; L504-G527 WeakPolarHBondContact O-CA 3.4Å; Y525-G527 PolarHBondContact O-N 3.05Å; G527-L544 WeakPolarHBondContact O-CB 3.14Å; G527-L544 WeakPolarHBondContact O-CD1 3.32Å; G527-L544 VanDerWaalsContact O-CG 3.26Å; G527-L544 WeakPolarHBondContact O-CG 3.23Å; G527-L544 PolarHBondContact O-N 2.79Å
528	S	77.2	Confident	57.7	Low	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	160.4	168.3	-59.6	0	0	0	0	109.4	L504 Y542	L504-S528 WeakPolarHBondContact CA-O 3.39Å; L504-S528 WeakPolarHBondContact CB-O 3.45Å; L504-S528 PolarHBondContact N-O 2.89Å; L504-S528 PolarHBondContact O-N 3.5Å; S528-Y542 CarbonylContact C-O 3.55Å; S528-Y542 WeakPolarHBondContact CA-O 3.32Å
529	I	82.6	Confident	60.5	Low	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.4	171.5	-55.1	165.8	0	0	0	106.9	I197 V212 F501 F503 V531 F541 Y542 L544 F547	I197-I529 HydrophobicContact CD1-CD1 3.51Å; I197-I529 HydrophobicContact CD1-CG1 3.88Å; I197-I529 HydrophobicContact CD1-CG2 3.78Å; I197-I529 HydrophobicContact CG1-CD1 4.03Å; V212-I529 HydrophobicContact CB-CD1 4.35Å; V212-I529 HydrophobicContact CG1-CD1 3.67Å; V212-I529 HydrophobicContact CG2-CD1 3.68Å; F501-I529 HydrophobicContact CB-CG2 4.37Å; F503-I529 HydrophobicContact CD1-CG1 4.1Å; F503-I529 HydrophobicContact CE1-CD1 4.44Å; F503-I529 HydrophobicContact CE1-CG1 4.14Å; I529-V531 HydrophobicContact CG2-CG2 3.63Å; I529-F541 WeakPolarHBondContact O-CA 3.27Å; I529-Y542 PolarHBondContact N-O 3.09Å; I529-Y542 PolarHBondContact O-N 3.18Å; I529-L544 HydrophobicContact CD1-CD2 3.44Å; I529-L544 VanDerWaalsContact CD1-CD2 3.44Å; I529-L544 HydrophobicContact CD1-CG 4.35Å; I529-L544 HydrophobicContact CG1-CD2 3.77Å; I529-L544 HydrophobicContact CG1-CG 4.17Å; I529-F547 HydrophobicContact CD1-CZ 4.5Å
530	C	82.7	Confident	63.2	Low	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.7	166	62.8	0	0	0	0	109.4	F501 E502 L504 L539 F540 F541	F501-C530 VanDerWaalsContact CA-O 3.25Å; F501-C530 WeakPolarHBondContact CA-O 3.14Å; E502-C530 PolarHBondContact N-O 3.44Å; E502-C530 PolarHBondContact O-N 2.66Å; E502-C530 PolarHBondContact O-SG 2.92Å; E502-C530 VanDerWaalsContact O-SG 3.34Å; L504-C530 HydrophobicContact CD1-CB 3.93Å; L504-C530 HydrophobicContact CG-CB 4.33Å; C530-L539 HydrophobicContact CB-CD1 4.09Å; C530-L539 HydrophobicContact CB-CG 4.46Å; C530-F540 CarbonylContact C-O 3.6Å; C530-F540 WeakPolarHBondContact CA-O 3.34Å; C530-F541 HydrophobicContact CB-CD1 3.9Å; C530-F541 HydrophobicContact CB-CE1 3.82Å
531	V	84.4	Confident	65.9	Low	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.1	-177.2	-174.6	0	0	0	0	108.7	L210 I275 P499 Y500 F501 I529 F540 Y542	L210-V531 HydrophobicContact CD1-CG1 3.75Å; L210-V531 HydrophobicContact CD1-CG2 3.92Å; I275-V531 HydrophobicContact CD1-CG2 4.16Å; P499-V531 HydrophobicContact CB-CG1 4.18Å; Y500-V531 WeakPolarHBondContact O-CA 3.36Å; F501-V531 HydrophobicContact CB-CG2 3.99Å; I529-V531 HydrophobicContact CG2-CG2 3.63Å; V531-F540 PolarHBondContact N-O 2.8Å; V531-F540 PolarHBondContact O-N 2.74Å; V531-Y542 HydrophobicContact CB-CD2 4.45Å; V531-Y542 HydrophobicContact CB-CE2 4.16Å; V531-Y542 HydrophobicContact CG2-CD2 3.99Å; V531-Y542 HydrophobicContact CG2-CE2 4.11Å
532	Y	82.5	Confident	68.5	Low	8 Å²	8	37.4 Å²	37.4	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	158	163.2	76.4	-81	0	0	0	109.6	P499 Y500 Y538 L539 I565 T566 I568	P499-Y532 CarbonylContact C-O 3.38Å; P499-Y532 WeakPolarHBondContact CA-O 3.22Å; Y500-Y532 VanDerWaalsContact CB-CZ 3.43Å; Y500-Y532 HydrophobicContact CD2-CD2 4.49Å; Y500-Y532 HydrophobicContact CD2-CE1 4.37Å; Y500-Y532 AromaticContact CD2-CE2 3.73Å; Y500-Y532 HydrophobicContact CD2-CE2 3.73Å; Y500-Y532 AromaticContact CD2-CZ 3.65Å; Y500-Y532 HydrophobicContact CG-CE1 4.04Å; Y500-Y532 HydrophobicContact CG-CE2 4.22Å; Y500-Y532 AromaticContact CG-CZ 3.67Å; Y500-Y532 PolarHBondContact N-O 2.78Å; Y500-Y532 PolarHBondContact O-N 3.17Å; Y500-Y532 VanDerWaalsContact O-O 3.11Å; Y532-Y538 WeakPolarHBondContact CB-O 3.09Å; Y532-L539 HydrophobicContact CD1-CD1 4.4Å; Y532-I565 HydrophobicContact CD1-CG2 3.92Å; Y532-I565 HydrophobicContact CD2-CB 3.67Å; Y532-I565 HydrophobicContact CD2-CG2 3.75Å; Y532-I565 HydrophobicContact CE1-CG2 3.94Å; Y532-I565 HydrophobicContact CE2-CB 3.99Å; Y532-I565 HydrophobicContact CE2-CG2 3.79Å; Y532-I565 WeakPolarHBondContact CE2-O 3Å; Y532-I565 HydrophobicContact CG-CB 4.02Å; Y532-I565 HydrophobicContact CG-CD1 4.15Å; Y532-I565 HydrophobicContact CG-CG2 3.82Å; Y532-T566 PolarHBondContact OH-O 2.75Å; Y532-I568 HydrophobicContact CD1-CD1 3.82Å; Y532-I568 HydrophobicContact CD1-CG1 4.18Å; Y532-I568 HydrophobicContact CD1-CG2 3.78Å; Y532-I568 HydrophobicContact CE1-CB 4.21Å; Y532-I568 HydrophobicContact CE1-CD1 3.9Å; Y532-I568 HydrophobicContact CE1-CG1 3.77Å; Y532-I568 HydrophobicContact CE1-CG2 3.68Å
533	W	80.3	Confident	71.1	Confident	3 Å²	3	31.3 Å²	31.3	1%	0.011	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	145.7	176.8	-64.1	88.3	0	0	0	109.1	K276 Y277 P499 R535 S536	K276-W533 VanDerWaalsContact C-CZ2 3.41Å; Y277-W533 VanDerWaalsContact CA-CZ2 3.45Å; Y277-W533 HydrophobicContact CD2-CB 3.95Å; Y277-W533 AromaticContact CD2-CD2 3.49Å; Y277-W533 HydrophobicContact CD2-CD2 3.49Å; Y277-W533 VanDerWaalsContact CD2-CD2 3.49Å; Y277-W533 AromaticContact CD2-CE3 3.64Å; Y277-W533 HydrophobicContact CD2-CE3 3.64Å; Y277-W533 AromaticContact CD2-CG 3.59Å; Y277-W533 HydrophobicContact CD2-CG 3.59Å; Y277-W533 HydrophobicContact CD2-CZ3 4.29Å; Y277-W533 HydrophobicContact CE2-CB 3.86Å; Y277-W533 HydrophobicContact CE2-CD2 4.31Å; Y277-W533 AromaticContact CE2-CG 3.97Å; Y277-W533 HydrophobicContact CE2-CG 3.97Å; Y277-W533 HydrophobicContact CG-CD2 4.38Å; Y277-W533 HydrophobicContact CG-CE3 4.38Å; Y277-W533 VanDerWaalsContact N-CH2 3.34Å; P499-W533 HydrophobicContact CB-CD2 3.77Å; P499-W533 HydrophobicContact CB-CE3 3.55Å; P499-W533 HydrophobicContact CB-CH2 3.71Å; P499-W533 HydrophobicContact CB-CZ2 3.9Å; P499-W533 HydrophobicContact CB-CZ3 3.55Å; P499-W533 HydrophobicContact CG-CE3 3.97Å; P499-W533 HydrophobicContact CG-CH2 3.73Å; P499-W533 HydrophobicContact CG-CZ2 4.39Å; P499-W533 HydrophobicContact CG-CZ3 3.51Å; W533-R535 PolarHBondContact O-N 2.75Å; W533-S536 WeakPolarHBondContact O-CA 3.31Å; W533-S536 WeakPolarHBondContact O-CB 3.37Å; W533-S536 PolarHBondContact O-N 3.29Å
534	S	76	Confident	73.4	Confident	22 Å²	22	24.1 Å²	24.1	15%	0.154	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	133.8	178.1	61.5	0	0	0	0	110.6	C497 Y498 S536	C497-S534 VanDerWaalsContact CA-OG 3.3Å; C497-S534 WeakPolarHBondContact CA-OG 3.44Å; C497-S534 PolarHBondContact SG-O 2.84Å; C497-S534 PolarHBondContact SG-OG 3.46Å; C497-S534 VanDerWaalsContact SG-OG 3.4Å; Y498-S534 PolarHBondContact N-OG 3.38Å; Y498-S534 PolarHBondContact O-N 2.97Å; S534-S536 PolarHBondContact O-N 3.08Å
535	R	71.2	Confident	75.2	Confident	156 Å²	156	24.9 Å²	24.9	59%	0.589	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	15.9	-176.7	-45.2	176.9	-174.1	-175.5	0.8	114.9	W533 E564	W533-R535 PolarHBondContact O-N 2.75Å; R535-E564 WeakPolarHBondContact CA-OE2 3.31Å
536	S	75.9	Confident	76.4	Confident	13 Å²	13	27 Å²	27	9%	0.091	13%	0.13	C	C	.	.			trans	-94.5	141.8	170.2	-174.1	0	0	0	0	110	W533 S534 Y538 I565	W533-S536 WeakPolarHBondContact O-CA 3.31Å; W533-S536 WeakPolarHBondContact O-CB 3.37Å; W533-S536 PolarHBondContact O-N 3.29Å; S534-S536 PolarHBondContact O-N 3.08Å; S536-Y538 VanDerWaalsContact C-N 3.27Å; S536-Y538 WeakPolarHBondContact OG-CB 3.49Å; S536-Y538 PolarHBondContact OG-N 2.73Å; S536-Y538 PolarHBondContact OG-O 3.28Å; S536-I565 PolarHBondContact O-N 2.68Å
537	C	75.6	Confident	77.3	Confident	27 Å²	27	26 Å²	26	18%	0.182	12%	0.12	C	C	.	.	S	Bend	trans	-89.2	3.6	166.9	-50.1	0	0	0	0	112.3	Y560 F561 E564	C537-Y560 HydrophobicContact CB-CD2 4.12Å; C537-Y560 HydrophobicContact CB-CE2 3.88Å; C537-F561 VanDerWaalsContact CB-O 3.28Å; C537-F561 WeakPolarHBondContact CB-O 3.33Å; C537-F561 PolarHBondContact O-N 3.15Å; C537-E564 PolarHBondContact SG-N 2.91Å
538	Y	75.3	Confident	76.9	Confident	78 Å²	78	28 Å²	28	31%	0.306	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128	-175.6	-59.9	-82.7	0	0	0	111.5	I280 Y532 S536 F540 V558 R559 Y560	I280-Y538 HydrophobicContact CD1-CD2 3.89Å; I280-Y538 HydrophobicContact CD1-CE1 4.42Å; I280-Y538 HydrophobicContact CD1-CE2 3.58Å; I280-Y538 HydrophobicContact CD1-CG 4.44Å; Y532-Y538 WeakPolarHBondContact CB-O 3.09Å; S536-Y538 VanDerWaalsContact C-N 3.27Å; S536-Y538 WeakPolarHBondContact OG-CB 3.49Å; S536-Y538 PolarHBondContact OG-N 2.73Å; S536-Y538 PolarHBondContact OG-O 3.28Å; Y538-F540 HydrophobicContact CG-CZ 4.3Å; Y538-V558 HydrophobicContact CD1-CG1 3.75Å; Y538-V558 HydrophobicContact CG-CG1 4.43Å; Y538-R559 CarbonylContact C-O 3.52Å; Y538-R559 VanDerWaalsContact CA-O 3.32Å; Y538-R559 WeakPolarHBondContact CA-O 3.37Å; Y538-Y560 AromaticContact CD1-CD2 3.98Å; Y538-Y560 HydrophobicContact CD1-CD2 3.98Å; Y538-Y560 AromaticContact CE1-CD2 3.46Å; Y538-Y560 HydrophobicContact CE1-CD2 3.46Å; Y538-Y560 VanDerWaalsContact CE1-CD2 3.46Å; Y538-Y560 HydrophobicContact CE1-CE2 4.36Å; Y538-Y560 HydrophobicContact CE1-CG 4.16Å; Y538-Y560 HydrophobicContact CE2-CD2 4.34Å; Y538-Y560 AromaticContact CZ-CD2 3.66Å
539	L	80.1	Confident	75.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.6	167.7	-173.8	63.6	0	0	0	108.8	C530 Y532 F541 R559 F561 I565 I568 I606	C530-L539 HydrophobicContact CB-CD1 4.09Å; C530-L539 HydrophobicContact CB-CG 4.46Å; Y532-L539 HydrophobicContact CD1-CD1 4.4Å; L539-F541 HydrophobicContact CB-CE2 4.26Å; L539-F541 HydrophobicContact CD2-CE1 4.25Å; L539-F541 HydrophobicContact CD2-CE2 3.82Å; L539-F541 HydrophobicContact CD2-CZ 3.41Å; L539-F541 VanDerWaalsContact CD2-CZ 3.41Å; L539-F541 HydrophobicContact CG-CE2 3.77Å; L539-F541 HydrophobicContact CG-CZ 3.79Å; L539-R559 PolarHBondContact N-O 3.34Å; L539-R559 PolarHBondContact O-N 3.16Å; L539-F561 HydrophobicContact CB-CE2 3.77Å; L539-F561 HydrophobicContact CD2-CE2 4.23Å; L539-F561 HydrophobicContact CD2-CZ 4.47Å; L539-I565 HydrophobicContact CB-CD1 3.7Å; L539-I565 HydrophobicContact CD1-CD1 4.42Å; L539-I568 HydrophobicContact CD1-CG2 4.41Å; L539-I606 HydrophobicContact CD2-CD1 3.74Å
540	F	81	Confident	74.7	Confident	8 Å²	8	43.3 Å²	43.3	4%	0.035	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.1	-177.8	-60.2	-89	0	0	0	109.9	C530 V531 Y538 Y542 I555 V558	C530-F540 CarbonylContact C-O 3.6Å; C530-F540 WeakPolarHBondContact CA-O 3.34Å; V531-F540 PolarHBondContact N-O 2.8Å; V531-F540 PolarHBondContact O-N 2.74Å; Y538-F540 HydrophobicContact CG-CZ 4.3Å; F540-Y542 HydrophobicContact CB-CD2 4.28Å; F540-Y542 HydrophobicContact CB-CE2 3.49Å; F540-Y542 VanDerWaalsContact CB-CE2 3.49Å; F540-Y542 HydrophobicContact CG-CE2 4.48Å; F540-I555 HydrophobicContact CD1-CD1 3.7Å; F540-I555 HydrophobicContact CD1-CG1 4.4Å; F540-I555 HydrophobicContact CE1-CD1 4.16Å; F540-V558 HydrophobicContact CD1-CB 4.47Å; F540-V558 HydrophobicContact CD1-CG1 4.06Å; F540-V558 HydrophobicContact CD1-CG2 3.7Å; F540-V558 HydrophobicContact CE1-CG1 3.9Å; F540-V558 HydrophobicContact CE1-CG2 3.93Å
541	F	81.2	Confident	73.7	Confident	3 Å²	3	47.6 Å²	47.6	1%	0.013	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.7	177.5	-62.6	-94	0	0	0	110.1	L504 L508 I529 C530 L539 E556 E557 R559 L604	L504-F541 HydrophobicContact CD1-CD1 3.72Å; L504-F541 HydrophobicContact CD1-CE1 3.79Å; L508-F541 HydrophobicContact CD1-CB 4.36Å; L508-F541 HydrophobicContact CD1-CD1 3.43Å; L508-F541 VanDerWaalsContact CD1-CD1 3.43Å; L508-F541 HydrophobicContact CD1-CE1 3.89Å; L508-F541 HydrophobicContact CD1-CG 4.01Å; I529-F541 WeakPolarHBondContact O-CA 3.27Å; C530-F541 HydrophobicContact CB-CD1 3.9Å; C530-F541 HydrophobicContact CB-CE1 3.82Å; L539-F541 HydrophobicContact CB-CE2 4.26Å; L539-F541 HydrophobicContact CD2-CE1 4.25Å; L539-F541 HydrophobicContact CD2-CE2 3.82Å; L539-F541 HydrophobicContact CD2-CZ 3.41Å; L539-F541 VanDerWaalsContact CD2-CZ 3.41Å; L539-F541 HydrophobicContact CG-CE2 3.77Å; L539-F541 HydrophobicContact CG-CZ 3.79Å; F541-E556 PolarHBondContact O-N 2.95Å; F541-E557 HydrophobicContact CB-CB 4.14Å; F541-E557 HydrophobicContact CD2-CB 4.03Å; F541-E557 HydrophobicContact CD2-CG 4.32Å; F541-E557 HydrophobicContact CG-CB 4.38Å; F541-E557 PolarHBondContact N-O 3.07Å; F541-R559 HydrophobicContact CE2-CB 4.26Å; F541-R559 HydrophobicContact CE2-CG 3.91Å; F541-L604 HydrophobicContact CE1-CD2 4.43Å
542	Y	80.9	Confident	72.8	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	105.3	180	-63.7	-88.2	0	0	0	109.2	I275 S528 I529 V531 F540 I555	I275-Y542 HydrophobicContact CD1-CD1 4.24Å; I275-Y542 HydrophobicContact CD1-CD2 3.78Å; I275-Y542 HydrophobicContact CD1-CE1 4.43Å; I275-Y542 HydrophobicContact CD1-CE2 4.01Å; I275-Y542 HydrophobicContact CD1-CG 3.9Å; I275-Y542 HydrophobicContact CG1-CD1 4.35Å; I275-Y542 HydrophobicContact CG1-CE1 4.23Å; I275-Y542 HydrophobicContact CG1-CE2 4.45Å; I275-Y542 HydrophobicContact CG2-CE1 4.28Å; I275-Y542 HydrophobicContact CG2-CE2 3.83Å; I275-Y542 WeakPolarHBondContact CG2-OH 3.37Å; S528-Y542 CarbonylContact C-O 3.55Å; S528-Y542 WeakPolarHBondContact CA-O 3.32Å; I529-Y542 PolarHBondContact N-O 3.09Å; I529-Y542 PolarHBondContact O-N 3.18Å; V531-Y542 HydrophobicContact CB-CD2 4.45Å; V531-Y542 HydrophobicContact CB-CE2 4.16Å; V531-Y542 HydrophobicContact CG2-CD2 3.99Å; V531-Y542 HydrophobicContact CG2-CE2 4.11Å; F540-Y542 HydrophobicContact CB-CD2 4.28Å; F540-Y542 HydrophobicContact CB-CE2 3.49Å; F540-Y542 VanDerWaalsContact CB-CE2 3.49Å; F540-Y542 HydrophobicContact CG-CE2 4.48Å; Y542-I555 HydrophobicContact CD1-CG1 4.18Å; Y542-I555 HydrophobicContact CE1-CB 4.47Å; Y542-I555 HydrophobicContact CE1-CD1 4.42Å; Y542-I555 HydrophobicContact CE1-CG1 3.41Å; Y542-I555 VanDerWaalsContact CE1-CG1 3.41Å
543	P	79.7	Confident	71.7	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	133.4	176.3	34	-37.4	0	0	0	109.6	D545 K546 F547 E556	P543-D545 WeakPolarHBondContact CB-OD1 3.33Å; P543-D545 PolarHBondContact O-N 3.49Å; P543-K546 HydrophobicContact CG-CB 3.95Å; P543-K546 HydrophobicContact CG-CD 3.65Å; P543-K546 HydrophobicContact CG-CG 3.81Å; P543-K546 PolarHBondContact O-N 3Å; P543-F547 WeakPolarHBondContact O-CD2 3.21Å; P543-E556 WeakPolarHBondContact CB-OE2 3.46Å; P543-E556 HydrophobicContact CG-CB 3.77Å; P543-E556 HydrophobicContact CG-CG 4.48Å; P543-E556 WeakPolarHBondContact CG-OE2 3.25Å
544	L	77.4	Confident	71.1	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.031	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-68.7	-22.9	-170.9	-72.6	168.1	0	0	0	113.3	Y195 V212 Y525 G527 I529 F547	Y195-L544 HydrophobicContact CD1-CD1 4.23Å; Y195-L544 HydrophobicContact CD1-CD2 4.08Å; Y195-L544 HydrophobicContact CD2-CD1 3.66Å; Y195-L544 HydrophobicContact CE1-CB 4.15Å; Y195-L544 HydrophobicContact CE1-CD1 4.36Å; Y195-L544 HydrophobicContact CE1-CD2 4.4Å; Y195-L544 HydrophobicContact CE2-CD1 3.8Å; Y195-L544 HydrophobicContact CG-CD1 3.88Å; Y195-L544 HydrophobicContact CG-CD2 4.33Å; V212-L544 HydrophobicContact CG1-CD2 3.71Å; Y525-L544 HydrophobicContact CE1-CD1 4.43Å; G527-L544 WeakPolarHBondContact O-CB 3.14Å; G527-L544 WeakPolarHBondContact O-CD1 3.32Å; G527-L544 VanDerWaalsContact O-CG 3.26Å; G527-L544 WeakPolarHBondContact O-CG 3.23Å; G527-L544 PolarHBondContact O-N 2.79Å; I529-L544 HydrophobicContact CD1-CD2 3.44Å; I529-L544 VanDerWaalsContact CD1-CD2 3.44Å; I529-L544 HydrophobicContact CD1-CG 4.35Å; I529-L544 HydrophobicContact CG1-CD2 3.77Å; I529-L544 HydrophobicContact CG1-CG 4.17Å; L544-F547 HydrophobicContact CD2-CE2 4.14Å
545	D	72.6	Confident	70.6	Confident	104 Å²	104	57.4 Å²	57.4	56%	0.556	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-78.7	-22.1	179	65.2	-37	0	0	0	113.4	P543	P543-D545 WeakPolarHBondContact CB-OD1 3.33Å; P543-D545 PolarHBondContact O-N 3.49Å
546	K	71	Confident	70.5	Confident	92 Å²	92	53.1 Å²	53.1	40%	0.4	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-96.7	8.8	-177.7	-55.1	-175	-175.8	164.2	0	114.8	P543 S548 V554 E556	P543-K546 HydrophobicContact CG-CB 3.95Å; P543-K546 HydrophobicContact CG-CD 3.65Å; P543-K546 HydrophobicContact CG-CG 3.81Å; P543-K546 PolarHBondContact O-N 3Å; K546-S548 PolarHBondContact O-N 3.08Å; K546-S548 VanDerWaalsContact O-N 3.09Å; K546-V554 HydrophobicContact CB-CB 4.43Å; K546-V554 WeakPolarHBondContact O-CG2 3.33Å; K546-E556 IonicContact NZ-OE1 3.04Å; K546-E556 PolarHBondContact NZ-OE1 3.49Å
547	F	69.2	Low	70.2	Confident	23 Å²	23	55.1 Å²	55.1	10%	0.101	28%	0.277	C	S	.	.			trans	-62.9	115	171.3	-81.7	-95.2	0	0	0	109.7	V212 L272 I275 I529 P543 L544 G553	V212-F547 HydrophobicContact CB-CE1 4.16Å; V212-F547 HydrophobicContact CB-CZ 4.12Å; V212-F547 HydrophobicContact CG1-CE2 4.48Å; V212-F547 HydrophobicContact CG1-CZ 4.32Å; V212-F547 HydrophobicContact CG2-CE1 4.01Å; V212-F547 HydrophobicContact CG2-CZ 3.77Å; L272-F547 HydrophobicContact CB-CB 3.87Å; L272-F547 HydrophobicContact CB-CD1 4.14Å; L272-F547 HydrophobicContact CB-CG 3.98Å; I275-F547 HydrophobicContact CD1-CZ 4.28Å; I275-F547 HydrophobicContact CG1-CE1 4.47Å; I529-F547 HydrophobicContact CD1-CZ 4.5Å; P543-F547 WeakPolarHBondContact O-CD2 3.21Å; L544-F547 HydrophobicContact CD2-CE2 4.14Å; F547-G553 VanDerWaalsContact CE1-CA 3.44Å
548	S	58.4	Low	70.1	Confident	43 Å²	43	57.1 Å²	57.1	30%	0.301	29%	0.288	S	S	.	.			trans	-78.1	161.8	-177	50.2	0	0	0	0	111.6	K546 T550 E551 E552	K546-S548 PolarHBondContact O-N 3.08Å; K546-S548 VanDerWaalsContact O-N 3.09Å; S548-T550 PolarHBondContact O-N 3.33Å; S548-T550 PolarHBondContact OG-OG1 2.75Å; S548-E551 PolarHBondContact O-N 3.23Å; S548-E551 VanDerWaalsContact O-N 3.16Å; S548-E552 PolarHBondContact OG-O 3.27Å
549	K	57	Low	70.1	Confident	218 Å²	218	55.6 Å²	55.6	95%	0.948	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-12.9	172.5	-68.1	-174.8	179.8	-178.5	0	114.2	E551	K549-E551 PolarHBondContact O-N 3.42Å
550	T	56.9	Low	69.9	Low	102 Å²	102	62.5 Å²	62.5	63%	0.626	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	6	178.1	53.7	0	0	0	0	113.4	S548 E552	S548-T550 PolarHBondContact O-N 3.33Å; S548-T550 PolarHBondContact OG-OG1 2.75Å; T550-E552 PolarHBondContact O-N 3.25Å; T550-E552 VanDerWaalsContact O-N 3.15Å
551	E	61.5	Low	69.7	Low	91 Å²	91	63.2 Å²	63.2	43%	0.425	31%	0.312	S	S	.	.	S	Bend	trans	56.3	27.6	179.5	-59.6	-177.7	174.7	0	0	113.5	L271 G273 R274 S548 K549	L271-E551 HydrophobicContact CD2-CG 4.5Å; G273-E551 CarbonylContact C-O 3.57Å; G273-E551 WeakPolarHBondContact CA-O 3.43Å; R274-E551 PolarHBondContact N-O 3.45Å; S548-E551 PolarHBondContact O-N 3.23Å; S548-E551 VanDerWaalsContact O-N 3.16Å; K549-E551 PolarHBondContact O-N 3.42Å
552	E	66.3	Low	69	Low	108 Å²	108	66.5 Å²	66.5	51%	0.505	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-124.6	137.2	174.1	-68.2	-167.7	158	0	0	109.4	S548 T550 V554	S548-E552 PolarHBondContact OG-O 3.27Å; T550-E552 PolarHBondContact O-N 3.25Å; T550-E552 VanDerWaalsContact O-N 3.15Å; E552-V554 PolarHBondContact O-N 3.12Å
553	G	58.7	Low	68.6	Low	16 Å²	16	67.2 Å²	67.2	17%	0.165	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-71	126.1	-179.9	0	0	0	0	0	111.5	F547	F547-G553 VanDerWaalsContact CE1-CA 3.44Å
554	V	67.8	Low	68.5	Low	67 Å²	67	70.9 Å²	70.9	41%	0.406	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-78.9	122	170.6	-179	0	0	0	0	108.3	K546 E552	K546-V554 HydrophobicContact CB-CB 4.43Å; K546-V554 WeakPolarHBondContact O-CG2 3.33Å; E552-V554 PolarHBondContact O-N 3.12Å
555	I	65.4	Low	68.4	Low	48 Å²	48	70.9 Å²	70.9	25%	0.246	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-75.1	126.7	173.1	-62.8	167.6	0	0	0	108.6	Q278 F540 Y542 E557 V558	Q278-I555 VanDerWaalsContact OE1-CD1 3.32Å; F540-I555 HydrophobicContact CD1-CD1 3.7Å; F540-I555 HydrophobicContact CD1-CG1 4.4Å; F540-I555 HydrophobicContact CE1-CD1 4.16Å; Y542-I555 HydrophobicContact CD1-CG1 4.18Å; Y542-I555 HydrophobicContact CE1-CB 4.47Å; Y542-I555 HydrophobicContact CE1-CD1 4.42Å; Y542-I555 HydrophobicContact CE1-CG1 3.41Å; Y542-I555 VanDerWaalsContact CE1-CG1 3.41Å; I555-E557 WeakPolarHBondContact CG2-O 3.37Å; I555-V558 HydrophobicContact CD1-CG2 4.46Å; I555-V558 HydrophobicContact CG2-CG2 3.53Å
556	E	68	Low	68.4	Low	66 Å²	66	67.8 Å²	67.8	31%	0.308	36%	0.355	S	S	.	.			trans	-89	-45.9	172.1	176.2	165.7	-124.8	0	0	111.8	F541 P543 K546	F541-E556 PolarHBondContact O-N 2.95Å; P543-E556 WeakPolarHBondContact CB-OE2 3.46Å; P543-E556 HydrophobicContact CG-CB 3.77Å; P543-E556 HydrophobicContact CG-CG 4.48Å; P543-E556 WeakPolarHBondContact CG-OE2 3.25Å; K546-E556 IonicContact NZ-OE1 3.04Å; K546-E556 PolarHBondContact NZ-OE1 3.49Å
557	E	71.2	Confident	68.7	Low	54 Å²	54	65 Å²	65	25%	0.252	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.8	-176.8	-169.9	179.5	176.1	0	0	109.5	F541 I555 R559	F541-E557 HydrophobicContact CB-CB 4.14Å; F541-E557 HydrophobicContact CD2-CB 4.03Å; F541-E557 HydrophobicContact CD2-CG 4.32Å; F541-E557 HydrophobicContact CG-CB 4.38Å; F541-E557 PolarHBondContact N-O 3.07Å; I555-E557 WeakPolarHBondContact CG2-O 3.37Å; E557-R559 HydrophobicContact CG-CG 4.31Å; E557-R559 IonicContact OE1-CZ 3.77Å; E557-R559 IonicContact OE1-NE 3.22Å; E557-R559 PolarHBondContact OE1-NE 3.08Å; E557-R559 IonicContact OE1-NH2 2.67Å; E557-R559 PolarHBondContact OE1-NH2 3.42Å
558	V	72.8	Confident	69.2	Low	69 Å²	69	64.5 Å²	64.5	42%	0.418	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.1	165.9	-174.6	0	0	0	0	107.2	Y538 F540 I555	Y538-V558 HydrophobicContact CD1-CG1 3.75Å; Y538-V558 HydrophobicContact CG-CG1 4.43Å; F540-V558 HydrophobicContact CD1-CB 4.47Å; F540-V558 HydrophobicContact CD1-CG1 4.06Å; F540-V558 HydrophobicContact CD1-CG2 3.7Å; F540-V558 HydrophobicContact CE1-CG1 3.9Å; F540-V558 HydrophobicContact CE1-CG2 3.93Å; I555-V558 HydrophobicContact CD1-CG2 4.46Å; I555-V558 HydrophobicContact CG2-CG2 3.53Å
559	R	74.6	Confident	70	Confident	46 Å²	46	63.7 Å²	63.7	17%	0.174	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.3	169.2	-69.2	-154.2	-178.9	-130	-4.6	110.6	Y538 L539 F541 E557 F561 Y623	Y538-R559 CarbonylContact C-O 3.52Å; Y538-R559 VanDerWaalsContact CA-O 3.32Å; Y538-R559 WeakPolarHBondContact CA-O 3.37Å; L539-R559 PolarHBondContact N-O 3.34Å; L539-R559 PolarHBondContact O-N 3.16Å; F541-R559 HydrophobicContact CE2-CB 4.26Å; F541-R559 HydrophobicContact CE2-CG 3.91Å; E557-R559 HydrophobicContact CG-CG 4.31Å; E557-R559 IonicContact OE1-CZ 3.77Å; E557-R559 IonicContact OE1-NE 3.22Å; E557-R559 PolarHBondContact OE1-NE 3.08Å; E557-R559 IonicContact OE1-NH2 2.67Å; E557-R559 PolarHBondContact OE1-NH2 3.42Å; R559-F561 HydrophobicContact CB-CE2 4.13Å; R559-F561 HydrophobicContact CB-CZ 4.13Å; R559-Y623 PolarHBondContact NH1-OH 2.92Å; R559-Y623 PolarHBondContact NH2-OH 2.67Å
560	Y	76.2	Confident	70.8	Confident	145 Å²	145	53.7 Å²	53.7	57%	0.569	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	133.2	172.5	174.2	-101.8	0	0	0	109.5	C537 Y538	C537-Y560 HydrophobicContact CB-CD2 4.12Å; C537-Y560 HydrophobicContact CB-CE2 3.88Å; Y538-Y560 AromaticContact CD1-CD2 3.98Å; Y538-Y560 HydrophobicContact CD1-CD2 3.98Å; Y538-Y560 AromaticContact CE1-CD2 3.46Å; Y538-Y560 HydrophobicContact CE1-CD2 3.46Å; Y538-Y560 VanDerWaalsContact CE1-CD2 3.46Å; Y538-Y560 HydrophobicContact CE1-CE2 4.36Å; Y538-Y560 HydrophobicContact CE1-CG 4.16Å; Y538-Y560 HydrophobicContact CE2-CD2 4.34Å; Y538-Y560 AromaticContact CZ-CD2 3.66Å
561	F	76.3	Confident	71.3	Confident	23 Å²	23	50 Å²	50	10%	0.101	27%	0.268	C	S	.	.			trans	-111	153	172.3	-60.6	-76.6	0	0	0	110.1	C537 L539 R559 S563 I565 I606 L608 I614	C537-F561 VanDerWaalsContact CB-O 3.28Å; C537-F561 WeakPolarHBondContact CB-O 3.33Å; C537-F561 PolarHBondContact O-N 3.15Å; L539-F561 HydrophobicContact CB-CE2 3.77Å; L539-F561 HydrophobicContact CD2-CE2 4.23Å; L539-F561 HydrophobicContact CD2-CZ 4.47Å; R559-F561 HydrophobicContact CB-CE2 4.13Å; R559-F561 HydrophobicContact CB-CZ 4.13Å; F561-S563 PolarHBondContact O-N 2.77Å; F561-S563 VanDerWaalsContact O-N 3.07Å; F561-I565 HydrophobicContact CD2-CD1 3.72Å; F561-I565 HydrophobicContact CD2-CG1 3.81Å; F561-I565 HydrophobicContact CE2-CD1 3.87Å; F561-I565 HydrophobicContact CE2-CG1 4.29Å; F561-I606 HydrophobicContact CE2-CD1 4.48Å; F561-I606 HydrophobicContact CE2-CG2 4.44Å; F561-I606 HydrophobicContact CZ-CD1 3.79Å; F561-I606 HydrophobicContact CZ-CG2 4.36Å; F561-L608 HydrophobicContact CB-CD1 3.8Å; F561-L608 HydrophobicContact CB-CD2 3.83Å; F561-L608 HydrophobicContact CD1-CD1 4.1Å; F561-L608 HydrophobicContact CD1-CD2 4.32Å; F561-L608 HydrophobicContact CD2-CD2 4.22Å; F561-L608 HydrophobicContact CG-CD1 4.16Å; F561-L608 HydrophobicContact CG-CD2 3.86Å; F561-I614 HydrophobicContact CD1-CD1 3.57Å; F561-I614 HydrophobicContact CE1-CD1 3.46Å; F561-I614 VanDerWaalsContact CE1-CD1 3.46Å
562	G	67.3	Low	71.3	Confident	73 Å²	73	50.4 Å²	50.4	75%	0.753	27%	0.266	S	S	*	.	S	Bend	trans	-67.2	-5.8	179.1	0	0	0	0	0	114.5
563	S	72.8	Confident	70.7	Confident	17 Å²	17	45.7 Å²	45.7	12%	0.119	25%	0.245	C	C	.	.	S	Bend	trans	-152	166.7	179.4	62.1	0	0	0	0	111.3	F561 L608 S610	F561-S563 PolarHBondContact O-N 2.77Å; F561-S563 VanDerWaalsContact O-N 3.07Å; S563-L608 VanDerWaalsContact OG-CB 3.3Å; S563-L608 WeakPolarHBondContact OG-CB 3.3Å; S563-S610 WeakPolarHBondContact OG-CB 3.36Å; S563-S610 PolarHBondContact OG-N 2.95Å; S563-S610 PolarHBondContact OG-OG 3.32Å
564	E	76.4	Confident	70	Confident	78 Å²	78	50.1 Å²	50.1	36%	0.364	27%	0.274	S	S	.	.			trans	-62.2	139.4	-176.3	-61.5	177.7	-177.3	0	0	111.4	R535 C537 L608 Q609	R535-E564 WeakPolarHBondContact CA-OE2 3.31Å; C537-E564 PolarHBondContact SG-N 2.91Å; E564-L608 CarbonylContact O-C 3.6Å; E564-L608 WeakPolarHBondContact O-CA 3.14Å; E564-Q609 HydrophobicContact CB-CB 4.04Å; E564-Q609 WeakPolarHBondContact O-CB 3.36Å; E564-Q609 PolarHBondContact O-N 3.46Å
565	I	76.1	Confident	68.7	Low	5 Å²	5	52.9 Å²	52.9	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.7	173.5	-56.5	165.3	0	0	0	108.4	Y532 S536 L539 F561 I568 I606 L608	Y532-I565 HydrophobicContact CD1-CG2 3.92Å; Y532-I565 HydrophobicContact CD2-CB 3.67Å; Y532-I565 HydrophobicContact CD2-CG2 3.75Å; Y532-I565 HydrophobicContact CE1-CG2 3.94Å; Y532-I565 HydrophobicContact CE2-CB 3.99Å; Y532-I565 HydrophobicContact CE2-CG2 3.79Å; Y532-I565 WeakPolarHBondContact CE2-O 3Å; Y532-I565 HydrophobicContact CG-CB 4.02Å; Y532-I565 HydrophobicContact CG-CD1 4.15Å; Y532-I565 HydrophobicContact CG-CG2 3.82Å; S536-I565 PolarHBondContact O-N 2.68Å; L539-I565 HydrophobicContact CB-CD1 3.7Å; L539-I565 HydrophobicContact CD1-CD1 4.42Å; F561-I565 HydrophobicContact CD2-CD1 3.72Å; F561-I565 HydrophobicContact CD2-CG1 3.81Å; F561-I565 HydrophobicContact CE2-CD1 3.87Å; F561-I565 HydrophobicContact CE2-CG1 4.29Å; I565-I568 HydrophobicContact CG2-CG2 3.92Å; I565-I606 HydrophobicContact CG2-CG2 4.16Å; I565-L608 HydrophobicContact CB-CD2 4.37Å; I565-L608 HydrophobicContact CG1-CD2 3.79Å
566	T	73.1	Confident	67.2	Low	39 Å²	39	52.8 Å²	52.8	24%	0.239	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-29.3	-177.2	54.3	0	0	0	0	112.6	Y532 G607 Q609 L634	Y532-T566 PolarHBondContact OH-O 2.75Å; T566-G607 PolarHBondContact N-O 2.85Å; T566-G607 PolarHBondContact OG1-O 2.82Å; T566-Q609 HydrophobicContact CG2-CB 3.86Å; T566-L634 PolarHBondContact OG1-O 2.82Å
567	Y	77.5	Confident	65.3	Low	33 Å²	33	53.1 Å²	53.1	13%	0.129	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	141.6	-175.8	178.1	-95.5	0	0	0	110.6	S569 G607 L634 V635 D636 A637	Y567-S569 WeakPolarHBondContact OH-CB 3.36Å; Y567-S569 PolarHBondContact OH-OG 2.91Å; Y567-G607 PolarHBondContact N-O 2.83Å; Y567-G607 PolarHBondContact O-N 3.33Å; Y567-L634 HydrophobicContact CD1-CD2 3.65Å; Y567-L634 HydrophobicContact CD1-CG 4.26Å; Y567-L634 HydrophobicContact CE1-CD2 4.34Å; Y567-L634 HydrophobicContact CG-CD2 4.26Å; Y567-L634 HydrophobicContact CG-CG 4.47Å; Y567-V635 WeakPolarHBondContact CD2-O 3.29Å; Y567-V635 WeakPolarHBondContact CE2-O 3.41Å; Y567-D636 PolarHBondContact OH-OD1 3.08Å; Y567-A637 HydrophobicContact CE1-CB 4.04Å
568	I	80.1	Confident	63.2	Low	13 Å²	13	56.5 Å²	56.5	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	143	163.5	70.1	-179.2	0	0	0	108.6	E502 Y532 L539 I565 V605 I606	E502-I568 HydrophobicContact CB-CD1 3.91Å; E502-I568 HydrophobicContact CB-CG1 4.22Å; Y532-I568 HydrophobicContact CD1-CD1 3.82Å; Y532-I568 HydrophobicContact CD1-CG1 4.18Å; Y532-I568 HydrophobicContact CD1-CG2 3.78Å; Y532-I568 HydrophobicContact CE1-CB 4.21Å; Y532-I568 HydrophobicContact CE1-CD1 3.9Å; Y532-I568 HydrophobicContact CE1-CG1 3.77Å; Y532-I568 HydrophobicContact CE1-CG2 3.68Å; L539-I568 HydrophobicContact CD1-CG2 4.41Å; I565-I568 HydrophobicContact CG2-CG2 3.92Å; I568-V605 VanDerWaalsContact CA-O 3.31Å; I568-V605 WeakPolarHBondContact CA-O 3.31Å; I568-I606 HydrophobicContact CG2-CG1 4.47Å; I568-I606 HydrophobicContact CG2-CG2 4.46Å
569	S	73.8	Confident	60.9	Low	26 Å²	26	56.6 Å²	56.6	18%	0.182	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	146.4	169	-177.9	0	0	0	0	110.5	Y567 V605	Y567-S569 WeakPolarHBondContact OH-CB 3.36Å; Y567-S569 PolarHBondContact OH-OG 2.91Å; S569-V605 PolarHBondContact N-O 3.14Å; S569-V605 VanDerWaalsContact N-O 3.07Å; S569-V605 PolarHBondContact O-N 3.46Å
570	V	73.5	Confident	58.6	Low	9 Å²	9	61.5 Å²	61.5	6%	0.055	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.3	172.8	177	0	0	0	0	107.5	E502 L504 Y572 Y603 L604 L618	E502-V570 HydrophobicContact CB-CG2 4.32Å; E502-V570 HydrophobicContact CG-CB 4.17Å; E502-V570 HydrophobicContact CG-CG2 3.73Å; L504-V570 HydrophobicContact CD2-CG2 3.74Å; V570-Y572 HydrophobicContact CG1-CE1 4.14Å; V570-Y572 HydrophobicContact CG1-CE2 4.48Å; V570-Y603 CarbonylContact C-O 3.53Å; V570-Y603 WeakPolarHBondContact CA-O 3.42Å; V570-L604 HydrophobicContact CG2-CD1 3.96Å; V570-L618 HydrophobicContact CG1-CD1 4.27Å
571	I	67.9	Low	56.2	Low	24 Å²	24	63.2 Å²	63.2	12%	0.123	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.2	-179.1	-51	174.9	0	0	0	108.7	Y603 V605 L639	I571-Y603 PolarHBondContact N-O 3.06Å; I571-Y603 PolarHBondContact O-N 3.44Å; I571-V605 HydrophobicContact CD1-CG2 3.65Å; I571-V605 HydrophobicContact CG1-CG2 4.31Å; I571-L639 HydrophobicContact CB-CB 4.32Å; I571-L639 HydrophobicContact CD1-CB 3.66Å; I571-L639 HydrophobicContact CG2-CB 3.85Å
572	Y	62.8	Low	53.7	Low	100 Å²	100	67.5 Å²	67.5	39%	0.392	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.8	-177.5	-55.3	-86	0	0	0	109.3	P191 V570 N602	P191-Y572 WeakPolarHBondContact CG-OH 3.45Å; V570-Y572 HydrophobicContact CG1-CE1 4.14Å; V570-Y572 HydrophobicContact CG1-CE2 4.48Å; Y572-N602 WeakPolarHBondContact CD1-OD1 3.25Å
573	S	52.6	Low	51.7	Low	8 Å²	8	69.4 Å²	69.4	6%	0.056	39%	0.388	C	S	.	.			trans	-73.9	132.3	168.4	-174	0	0	0	0	110	R575 R600 N601	S573-R575 VanDerWaalsContact C-N 3.28Å; S573-R575 PolarHBondContact OG-N 3.17Å; S573-R575 PolarHBondContact OG-O 3.49Å; S573-R600 WeakPolarHBondContact O-CG 3.39Å; S573-N601 WeakPolarHBondContact CB-O 3.16Å; S573-N601 PolarHBondContact N-O 2.7Å; S573-N601 VanDerWaalsContact N-O 3.11Å
574	S	44.5	Very low	49.6	Very low	110 Å²	110	75.7 Å²	75.7	77%	0.769	42%	0.418	S	S	*	.	S	Bend	trans	-78	-11.4	174.4	51	0	0	0	0	113.2
575	R	40.8	Very low	47.1	Very low	124 Å²	124	79.4 Å²	79.4	47%	0.468	44%	0.441	S	S	.	.	S	Bend	trans	-112.7	136.2	-173.8	-145.7	173.7	-172.5	167.9	2.9	113	S573 V577	S573-R575 VanDerWaalsContact C-N 3.28Å; S573-R575 PolarHBondContact OG-N 3.17Å; S573-R575 PolarHBondContact OG-O 3.49Å; R575-V577 PolarHBondContact O-N 2.9Å
576	S	32.9	Very low	44.9	Very low	46 Å²	46	86.1 Å²	86.1	32%	0.322	48%	0.477	S	S	.	.			trans	-71.5	114.2	161.4	60.5	0	0	0	0	108.3	N578	S576-N578 PolarHBondContact O-N 3.11Å; S576-N578 VanDerWaalsContact O-N 3.08Å
577	V	28.8	Very low	42.8	Very low	73 Å²	73	93.7 Å²	93.7	44%	0.442	51%	0.506	S	S	.	.			trans	-68.8	106.2	166.1	-177.8	0	0	0	0	106	R575 A579	R575-V577 PolarHBondContact O-N 2.9Å; V577-A579 HydrophobicContact CG1-CB 4.13Å; V577-A579 PolarHBondContact O-N 3.16Å
578	N	26	Very low	40.5	Very low	125 Å²	125	100.7 Å²	100.7	67%	0.668	54%	0.54	S	S	*	.			trans	-68.2	68.6	166.4	-79.3	-3.9	0	0	0	108.5	S576 N580	S576-N578 PolarHBondContact O-N 3.11Å; S576-N578 VanDerWaalsContact O-N 3.08Å; N578-N580 VanDerWaalsContact C-N 3.31Å; N578-N580 PolarHBondContact O-N 3.16Å; N578-N580 VanDerWaalsContact O-N 3.13Å
579	A	25.2	Very low	38.1	Very low	72 Å²	72	107.4 Å²	107.4	60%	0.595	58%	0.576	S	S	*	*			trans	-79.7	88.5	164.9	0	0	0	0	0	106.2	V577	V577-A579 HydrophobicContact CG1-CB 4.13Å; V577-A579 PolarHBondContact O-N 3.16Å
580	N	26.7	Very low	35.9	Very low	149 Å²	149	114.6 Å²	114.6	80%	0.797	61%	0.612	S	S	*	*			trans	161.9	61.7	152.7	-76.5	-14	0	0	0	110.8	N578	N578-N580 VanDerWaalsContact C-N 3.31Å; N578-N580 PolarHBondContact O-N 3.16Å; N578-N580 VanDerWaalsContact O-N 3.13Å
581	E	24.4	Very low	33.7	Very low	181 Å²	181	119.6 Å²	119.6	85%	0.846	64%	0.644	S	S	*	*			trans	-101	71.1	151.7	-79.8	-173	177.2	0	0	108.3
582	T	25.8	Very low	31.8	Very low	113 Å²	113	127.8 Å²	127.8	69%	0.693	68%	0.679	S	S	*	*			trans	-129.2	92	159	51.1	0	0	0	0	107.5	I584	T582-I584 PolarHBondContact O-N 2.96Å
583	S	23.6	Very low	30	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	70%	0.699	S	S	*	*			trans	12.8	105.2	149.2	62.2	0	0	0	0	116.9
584	I	28.6	Very low	28.8	Very low	148 Å²	148	138.7 Å²	138.7	76%	0.759	73%	0.734	S	S	*	*			trans	-136.8	108.3	141	-60.5	-176.8	0	0	0	106.4	T582 D586	T582-I584 PolarHBondContact O-N 2.96Å; I584-D586 PolarHBondContact O-N 3.46Å; I584-D586 VanDerWaalsContact O-N 3.14Å
585	D	25.7	Very low	28	Very low	157 Å²	157	138.8 Å²	138.8	84%	0.84	73%	0.726	S	S	*	*			trans	-52	108.5	159.8	-87.4	-47.7	0	0	0	108.8
586	D	29.4	Very low	27.3	Very low	145 Å²	145	140.5 Å²	140.5	78%	0.775	74%	0.743	S	S	*	*			trans	-144.7	100.2	153.1	-88.1	-37.2	0	0	0	107.6	I584	I584-D586 PolarHBondContact O-N 3.46Å; I584-D586 VanDerWaalsContact O-N 3.14Å
587	K	27.8	Very low	27.1	Very low	199 Å²	199	145.2 Å²	145.2	87%	0.865	76%	0.763	S	S	*	*			trans	-55.5	147.4	160.3	-73.5	-174.6	173.2	179.7	0	108.2
588	E	30.6	Very low	27.4	Very low	179 Å²	179	146.8 Å²	146.8	84%	0.836	77%	0.769	S	S	*	*	S	Bend	trans	87.1	70.9	176.1	-51	-175.1	171.7	0	0	115.3
589	N	29.1	Very low	28	Very low	154 Å²	154	143.8 Å²	143.8	82%	0.824	76%	0.758	S	S	*	*				176	95.7	129.9	-87.6	-41.3	0	0	0	107.8	P591	N589-P591 WeakPolarHBondContact O-CD 3.48Å; N589-P591 WeakPolarHBondContact O-CG 3.36Å
590	L	27.2	Very low	29.1	Very low	177 Å²	177	146.5 Å²	146.5	93%	0.927	75%	0.753	S	S	*	*			trans	-61.3	102.7	172.3	-153.1	87.2	0	0	0	107.9	K592	L590-K592 PolarHBondContact O-N 2.79Å
591	P	27.3	Very low	30.6	Very low	114 Å²	114	140.6 Å²	140.6	74%	0.74	72%	0.721	S	S	*	*			trans	-74.3	123.5	179.6	-4.4	24	0	0	0	106	N589 K593	N589-P591 WeakPolarHBondContact O-CD 3.48Å; N589-P591 WeakPolarHBondContact O-CG 3.36Å; P591-K593 PolarHBondContact O-N 3.21Å
592	K	27.3	Very low	32.8	Very low	196 Å²	196	132.6 Å²	132.6	85%	0.852	68%	0.684	S	S	*	*			trans	-43	111.5	172.1	-68.8	171.8	178.3	174.3	0	109.2	L590 L594	L590-K592 PolarHBondContact O-N 2.79Å; K592-L594 PolarHBondContact O-N 2.69Å
593	K	26.6	Very low	35	Very low	186 Å²	186	127.7 Å²	127.7	81%	0.809	65%	0.653	S	S	*	*			trans	12.1	72.7	155.2	-163.3	176.8	-175.6	179.7	0	111.6	P591 D595	P591-K593 PolarHBondContact O-N 3.21Å; K593-D595 VanDerWaalsContact C-N 3.26Å; K593-D595 PolarHBondContact O-N 3.49Å
594	L	26.7	Very low	37.7	Very low	152 Å²	152	122.3 Å²	122.3	80%	0.796	62%	0.616	S	S	*	*			trans	-70.2	101.1	170.6	-160.9	78.7	0	0	0	102	K592 L596	K592-L594 PolarHBondContact O-N 2.69Å; L594-L596 PolarHBondContact O-N 3.35Å
595	D	28	Very low	40	Very low	111 Å²	111	115.3 Å²	115.3	59%	0.594	58%	0.58	S	S	*	*			trans	-46.5	116.6	176.2	-72.5	-40.9	0	0	0	106.2	K593 I597	K593-D595 VanDerWaalsContact C-N 3.26Å; K593-D595 PolarHBondContact O-N 3.49Å; D595-I597 HydrophobicContact CB-CD1 4.21Å; D595-I597 HydrophobicContact CB-CG1 3.87Å; D595-I597 PolarHBondContact O-N 3.34Å
596	L	25.9	Very low	42.6	Very low	161 Å²	161	108 Å²	108	84%	0.843	54%	0.541	S	S	*	.			trans	-64.4	63.7	174.2	-96.5	82.9	0	0	0	107.7	L594 N598	L594-L596 PolarHBondContact O-N 3.35Å; L596-N598 PolarHBondContact O-N 3.15Å
597	I	28.4	Very low	44.9	Very low	144 Å²	144	101.1 Å²	101.1	74%	0.738	50%	0.504	S	S	*	.			trans	-71.9	84.1	171.4	-59.2	171.6	0	0	0	104	D595 S599	D595-I597 HydrophobicContact CB-CD1 4.21Å; D595-I597 HydrophobicContact CB-CG1 3.87Å; D595-I597 PolarHBondContact O-N 3.34Å; I597-S599 PolarHBondContact O-N 3.12Å
598	N	34.4	Very low	47.2	Very low	106 Å²	106	91.8 Å²	91.8	57%	0.567	46%	0.464	S	S	*	.			trans	20.6	82.1	150.9	-78	-24.4	0	0	0	112.2	L596 R600	L596-N598 PolarHBondContact O-N 3.15Å; N598-R600 HydrophobicContact CB-CG 4.21Å; N598-R600 PolarHBondContact O-N 2.97Å
599	S	39.7	Very low	49.4	Very low	63 Å²	63	87.4 Å²	87.4	44%	0.441	44%	0.443	S	S	.	.			trans	-66.6	68	162.4	50.9	0	0	0	0	108	I597 N601	I597-S599 PolarHBondContact O-N 3.12Å; S599-N601 VanDerWaalsContact C-N 3.33Å; S599-N601 PolarHBondContact O-N 3.07Å
600	R	47.8	Very low	51.5	Low	129 Å²	129	82.7 Å²	82.7	49%	0.487	42%	0.422	S	S	.	.			trans	-64.8	99.3	170	-73.4	-171.9	178	172.5	-2.3	105.7	S573 N598 N602 Q619	S573-R600 WeakPolarHBondContact O-CG 3.39Å; N598-R600 HydrophobicContact CB-CG 4.21Å; N598-R600 PolarHBondContact O-N 2.97Å; R600-N602 VanDerWaalsContact O-CG 3.31Å; R600-N602 PolarHBondContact O-N 2.9Å; R600-N602 VanDerWaalsContact O-N 3.16Å; R600-N602 PolarHBondContact O-ND2 3.11Å; R600-N602 PolarHBondContact O-OD1 3.45Å; R600-Q619 PolarHBondContact O-NE2 3.4Å
601	N	57.5	Low	53.6	Low	24 Å²	24	79.1 Å²	79.1	13%	0.128	40%	0.396	C	S	.	.			trans	-62.4	120.9	170.7	-70.8	-9.1	0	0	0	107.3	S573 S599 Y603 E617	S573-N601 WeakPolarHBondContact CB-O 3.16Å; S573-N601 PolarHBondContact N-O 2.7Å; S573-N601 VanDerWaalsContact N-O 3.11Å; S599-N601 VanDerWaalsContact C-N 3.33Å; S599-N601 PolarHBondContact O-N 3.07Å; N601-Y603 HydrophobicContact CB-CE2 3.72Å; N601-Y603 WeakPolarHBondContact O-CD2 3.26Å; N601-Y603 WeakPolarHBondContact O-CE2 3.47Å; N601-E617 VanDerWaalsContact CG-OE1 3.26Å; N601-E617 PolarHBondContact ND2-OE1 2.83Å
602	N	70.9	Confident	55.8	Low	13 Å²	13	74.7 Å²	74.7	7%	0.07	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.8	-176.1	-62.9	-40.3	0	0	0	106.7	P505 Y572 R600 L618 Q619	P505-N602 HydrophobicContact CG-CB 3.9Å; P505-N602 WeakPolarHBondContact CG-ND2 3.27Å; Y572-N602 WeakPolarHBondContact CD1-OD1 3.25Å; R600-N602 VanDerWaalsContact O-CG 3.31Å; R600-N602 PolarHBondContact O-N 2.9Å; R600-N602 VanDerWaalsContact O-N 3.16Å; R600-N602 PolarHBondContact O-ND2 3.11Å; R600-N602 PolarHBondContact O-OD1 3.45Å; N602-L618 HydrophobicContact CB-CB 4.35Å; N602-L618 HydrophobicContact CB-CD1 3.93Å; N602-L618 HydrophobicContact CB-CG 4.48Å; N602-L618 VanDerWaalsContact O-CB 3.3Å; N602-L618 WeakPolarHBondContact O-CB 3.42Å; N602-L618 WeakPolarHBondContact O-CG 3.12Å; N602-L618 PolarHBondContact O-N 2.96Å; N602-Q619 PolarHBondContact ND2-NE2 2.89Å; N602-Q619 VanDerWaalsContact ND2-NE2 3.18Å; N602-Q619 PolarHBondContact O-OE1 3.34Å
603	Y	72.6	Confident	58	Low	10 Å²	10	65.4 Å²	65.4	4%	0.039	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.8	-175.8	-63.5	-91.1	0	0	0	109.6	V570 I571 N601 I615 K616 E617 L624 L639 I641	V570-Y603 CarbonylContact C-O 3.53Å; V570-Y603 WeakPolarHBondContact CA-O 3.42Å; I571-Y603 PolarHBondContact N-O 3.06Å; I571-Y603 PolarHBondContact O-N 3.44Å; N601-Y603 HydrophobicContact CB-CE2 3.72Å; N601-Y603 WeakPolarHBondContact O-CD2 3.26Å; N601-Y603 WeakPolarHBondContact O-CE2 3.47Å; Y603-I615 HydrophobicContact CD1-CG2 4.01Å; Y603-I615 HydrophobicContact CG-CG2 4.41Å; Y603-K616 CarbonylContact C-O 3.55Å; Y603-K616 VanDerWaalsContact CA-O 3.32Å; Y603-K616 WeakPolarHBondContact CA-O 3.41Å; Y603-E617 HydrophobicContact CD1-CB 4.02Å; Y603-E617 HydrophobicContact CD1-CG 4.41Å; Y603-E617 HydrophobicContact CE1-CB 3.75Å; Y603-E617 HydrophobicContact CE1-CG 3.87Å; Y603-E617 PolarHBondContact OH-OE1 3.4Å; Y603-L624 HydrophobicContact CD1-CD1 4.2Å; Y603-L624 HydrophobicContact CE1-CD1 4.13Å; Y603-L639 HydrophobicContact CD2-CD2 3.99Å; Y603-L639 HydrophobicContact CG-CD2 3.93Å; Y603-I641 HydrophobicContact CD2-CD1 3.67Å; Y603-I641 HydrophobicContact CE2-CD1 3.15Å
604	L	80.1	Confident	60.4	Low	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.6	168.7	176.1	65.7	0	0	0	108.4	L504 F541 V570 I606 I615 K616 L618	L504-L604 HydrophobicContact CD2-CD1 4.24Å; L504-L604 HydrophobicContact CD2-CD2 4.25Å; F541-L604 HydrophobicContact CE1-CD2 4.43Å; V570-L604 HydrophobicContact CG2-CD1 3.96Å; L604-I606 HydrophobicContact CD2-CD1 4.09Å; L604-I606 HydrophobicContact CD2-CG1 4.3Å; L604-I606 HydrophobicContact CG-CD1 4.32Å; L604-I606 HydrophobicContact CG-CG1 4.01Å; L604-I615 WeakPolarHBondContact O-CA 3.33Å; L604-K616 HydrophobicContact CB-CB 4.44Å; L604-K616 PolarHBondContact N-O 3.12Å; L604-K616 PolarHBondContact O-N 3.39Å; L604-L618 HydrophobicContact CB-CD2 3.87Å; L604-L618 HydrophobicContact CB-CG 4.31Å
605	V	77.2	Confident	62.8	Low	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.8	174.2	-177.4	0	0	0	0	108.6	I568 S569 I571 V613 I615 L634 A637	I568-V605 VanDerWaalsContact CA-O 3.31Å; I568-V605 WeakPolarHBondContact CA-O 3.31Å; S569-V605 PolarHBondContact N-O 3.14Å; S569-V605 VanDerWaalsContact N-O 3.07Å; S569-V605 PolarHBondContact O-N 3.46Å; I571-V605 HydrophobicContact CD1-CG2 3.65Å; I571-V605 HydrophobicContact CG1-CG2 4.31Å; V605-V613 HydrophobicContact CG1-CG1 3.9Å; V605-I615 HydrophobicContact CG1-CG1 4.5Å; V605-I615 HydrophobicContact CG2-CG1 4.29Å; V605-I615 HydrophobicContact CG2-CG2 4.16Å; V605-L634 HydrophobicContact CG1-CD2 4.17Å; V605-A637 HydrophobicContact CG1-CB 4.11Å
606	I	79.3	Confident	65.2	Low	5 Å²	5	45.2 Å²	45.2	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117.9	179.5	-53.1	171.9	0	0	0	107.9	L539 F561 I565 I568 L604 L608 V613 I614	L539-I606 HydrophobicContact CD2-CD1 3.74Å; F561-I606 HydrophobicContact CE2-CD1 4.48Å; F561-I606 HydrophobicContact CE2-CG2 4.44Å; F561-I606 HydrophobicContact CZ-CD1 3.79Å; F561-I606 HydrophobicContact CZ-CG2 4.36Å; I565-I606 HydrophobicContact CG2-CG2 4.16Å; I568-I606 HydrophobicContact CG2-CG1 4.47Å; I568-I606 HydrophobicContact CG2-CG2 4.46Å; L604-I606 HydrophobicContact CD2-CD1 4.09Å; L604-I606 HydrophobicContact CD2-CG1 4.3Å; L604-I606 HydrophobicContact CG-CD1 4.32Å; L604-I606 HydrophobicContact CG-CG1 4.01Å; I606-L608 HydrophobicContact CG2-CD2 4.03Å; I606-V613 WeakPolarHBondContact O-CA 3.31Å; I606-I614 HydrophobicContact CB-CB 4.3Å; I606-I614 PolarHBondContact N-O 2.66Å; I606-I614 PolarHBondContact O-N 3.41Å
607	G	77.7	Confident	67.5	Low	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.1	174.8	0	0	0	0	0	111.5	T566 Y567	T566-G607 PolarHBondContact N-O 2.85Å; T566-G607 PolarHBondContact OG1-O 2.82Å; Y567-G607 PolarHBondContact N-O 2.83Å; Y567-G607 PolarHBondContact O-N 3.33Å
608	L	77.9	Confident	69.7	Low	3 Å²	3	32.7 Å²	32.7	2%	0.016	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	155.1	178.4	-55.7	-176.1	0	0	0	112.8	F561 S563 E564 I565 I606 S610 R611 L612 I614	F561-L608 HydrophobicContact CB-CD1 3.8Å; F561-L608 HydrophobicContact CB-CD2 3.83Å; F561-L608 HydrophobicContact CD1-CD1 4.1Å; F561-L608 HydrophobicContact CD1-CD2 4.32Å; F561-L608 HydrophobicContact CD2-CD2 4.22Å; F561-L608 HydrophobicContact CG-CD1 4.16Å; F561-L608 HydrophobicContact CG-CD2 3.86Å; S563-L608 VanDerWaalsContact OG-CB 3.3Å; S563-L608 WeakPolarHBondContact OG-CB 3.3Å; E564-L608 CarbonylContact O-C 3.6Å; E564-L608 WeakPolarHBondContact O-CA 3.14Å; I565-L608 HydrophobicContact CB-CD2 4.37Å; I565-L608 HydrophobicContact CG1-CD2 3.79Å; I606-L608 HydrophobicContact CG2-CD2 4.03Å; L608-S610 PolarHBondContact O-N 3.4Å; L608-R611 WeakPolarHBondContact O-CA 2.72Å; L608-R611 PolarHBondContact O-N 2.97Å; L608-L612 HydrophobicContact CB-CB 4.42Å; L608-L612 WeakPolarHBondContact CB-O 3.27Å; L608-L612 HydrophobicContact CD1-CB 4.2Å; L608-L612 HydrophobicContact CD1-CD2 4.07Å; L608-L612 PolarHBondContact N-O 3.21Å; L608-I614 HydrophobicContact CD1-CD1 4.05Å
609	Q	75.8	Confident	71.4	Confident	86 Å²	86	31.1 Å²	31.1	40%	0.402	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-27	177.2	-173.3	67	-0.9	0	0	112.6	E564 T566 R611 S633	E564-Q609 HydrophobicContact CB-CB 4.04Å; E564-Q609 WeakPolarHBondContact O-CB 3.36Å; E564-Q609 PolarHBondContact O-N 3.46Å; T566-Q609 HydrophobicContact CG2-CB 3.86Å; Q609-R611 PolarHBondContact O-N 3.13Å; Q609-S633 VanDerWaalsContact OE1-CB 3.31Å
610	S	73.6	Confident	72.8	Confident	55 Å²	55	31 Å²	31	39%	0.385	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	9.3	169.8	64.4	0	0	0	0	113.4	S563 L608 L612	S563-S610 WeakPolarHBondContact OG-CB 3.36Å; S563-S610 PolarHBondContact OG-N 2.95Å; S563-S610 PolarHBondContact OG-OG 3.32Å; L608-S610 PolarHBondContact O-N 3.4Å; S610-L612 PolarHBondContact O-N 3.35Å
611	R	70.9	Confident	73.8	Confident	102 Å²	102	26.4 Å²	26.4	39%	0.385	14%	0.143	S	C	.	.	S	Bend	trans	71.1	3.6	-179.7	-40.1	-176.5	-178.5	170.1	-3.5	114.3	L608 Q609 Y628 T629 E630 G632	L608-R611 WeakPolarHBondContact O-CA 2.72Å; L608-R611 PolarHBondContact O-N 2.97Å; Q609-R611 PolarHBondContact O-N 3.13Å; R611-Y628 CarbonylContact O-C 3.59Å; R611-T629 WeakPolarHBondContact CA-OG1 3.31Å; R611-T629 WeakPolarHBondContact CB-O 2.91Å; R611-T629 VanDerWaalsContact CB-OG1 3.28Å; R611-T629 WeakPolarHBondContact CB-OG1 3.36Å; R611-T629 VanDerWaalsContact CD-O 3.22Å; R611-T629 WeakPolarHBondContact CD-O 3.48Å; R611-T629 PolarHBondContact O-N 3.01Å; R611-T629 PolarHBondContact O-OG1 2.84Å; R611-E630 PolarHBondContact NH1-O 2.89Å; R611-G632 WeakPolarHBondContact CG-O 3.39Å
612	L	73.5	Confident	74.4	Confident	22 Å²	22	34 Å²	34	12%	0.115	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	134.3	175.3	-174.8	70.7	0	0	0	109.5	L608 S610 I614 L626 Y628	L608-L612 HydrophobicContact CB-CB 4.42Å; L608-L612 WeakPolarHBondContact CB-O 3.27Å; L608-L612 HydrophobicContact CD1-CB 4.2Å; L608-L612 HydrophobicContact CD1-CD2 4.07Å; L608-L612 PolarHBondContact N-O 3.21Å; S610-L612 PolarHBondContact O-N 3.35Å; L612-I614 HydrophobicContact CD2-CD1 4.13Å; L612-I614 HydrophobicContact CD2-CG1 4.13Å; L612-I614 HydrophobicContact CG-CG1 4.18Å; L612-L626 HydrophobicContact CD1-CB 4.12Å; L612-L626 HydrophobicContact CD1-CD2 4.22Å; L612-L626 HydrophobicContact CD2-CD2 4.27Å; L612-L626 HydrophobicContact CG-CD2 4.34Å; L612-Y628 HydrophobicContact CB-CD1 4.26Å; L612-Y628 HydrophobicContact CB-CE1 4.13Å; L612-Y628 HydrophobicContact CD1-CD1 4.04Å; L612-Y628 HydrophobicContact CD1-CD2 4.25Å; L612-Y628 HydrophobicContact CD1-CE1 3.75Å; L612-Y628 HydrophobicContact CD1-CE2 3.97Å; L612-Y628 HydrophobicContact CD1-CG 4.29Å
613	V	73.8	Confident	74.5	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.4	171.6	-180	0	0	0	0	108.9	V605 I606 I615 F627 T629 L634 L648	V605-V613 HydrophobicContact CG1-CG1 3.9Å; I606-V613 WeakPolarHBondContact O-CA 3.31Å; V613-I615 HydrophobicContact CG1-CG1 4.34Å; V613-F627 HydrophobicContact CB-CD1 4.35Å; V613-F627 HydrophobicContact CB-CE1 3.61Å; V613-F627 HydrophobicContact CB-CE2 3.9Å; V613-F627 HydrophobicContact CB-CZ 3.32Å; V613-F627 HydrophobicContact CG1-CE1 3.67Å; V613-F627 HydrophobicContact CG1-CZ 3.54Å; V613-F627 HydrophobicContact CG2-CE2 3.98Å; V613-F627 HydrophobicContact CG2-CZ 3.74Å; V613-F627 PolarHBondContact N-O 2.91Å; V613-T629 HydrophobicContact CG2-CG2 3.64Å; V613-L634 HydrophobicContact CG1-CD2 4.35Å; V613-L634 HydrophobicContact CG2-CD1 4.49Å; V613-L634 HydrophobicContact CG2-CD2 4.16Å; V613-L648 HydrophobicContact CG1-CD2 4.42Å
614	I	77.6	Confident	74.4	Confident	14 Å²	14	37.3 Å²	37.3	7%	0.072	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.3	-177.3	-49.3	-178.5	0	0	0	107.3	F561 I606 L608 L612 Y623 L626	F561-I614 HydrophobicContact CD1-CD1 3.57Å; F561-I614 HydrophobicContact CE1-CD1 3.46Å; F561-I614 VanDerWaalsContact CE1-CD1 3.46Å; I606-I614 HydrophobicContact CB-CB 4.3Å; I606-I614 PolarHBondContact N-O 2.66Å; I606-I614 PolarHBondContact O-N 3.41Å; L608-I614 HydrophobicContact CD1-CD1 4.05Å; L612-I614 HydrophobicContact CD2-CD1 4.13Å; L612-I614 HydrophobicContact CD2-CG1 4.13Å; L612-I614 HydrophobicContact CG-CG1 4.18Å; I614-Y623 HydrophobicContact CG2-CD1 3.69Å; I614-Y623 HydrophobicContact CG2-CE1 3.92Å; I614-L626 HydrophobicContact CB-CD2 4.12Å; I614-L626 HydrophobicContact CD1-CD2 4.3Å; I614-L626 HydrophobicContact CG1-CD2 3.6Å; I614-L626 HydrophobicContact CG2-CD2 4.06Å
615	I	77.5	Confident	73.7	Confident	2 Å²	2	39 Å²	39	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.7	176.4	-47.5	173.4	0	0	0	108.4	Y603 L604 V605 V613 Y623 L624 F627 L648 W685	Y603-I615 HydrophobicContact CD1-CG2 4.01Å; Y603-I615 HydrophobicContact CG-CG2 4.41Å; L604-I615 WeakPolarHBondContact O-CA 3.33Å; V605-I615 HydrophobicContact CG1-CG1 4.5Å; V605-I615 HydrophobicContact CG2-CG1 4.29Å; V605-I615 HydrophobicContact CG2-CG2 4.16Å; V613-I615 HydrophobicContact CG1-CG1 4.34Å; I615-Y623 WeakPolarHBondContact O-CA 3.35Å; I615-L624 HydrophobicContact CB-CB 4.19Å; I615-L624 HydrophobicContact CB-CD1 4.08Å; I615-L624 HydrophobicContact CB-CG 4.42Å; I615-L624 HydrophobicContact CD1-CD1 4.29Å; I615-L624 HydrophobicContact CG2-CD1 3.78Å; I615-L624 HydrophobicContact CG2-CG 4.4Å; I615-L624 PolarHBondContact O-N 2.82Å; I615-F627 HydrophobicContact CD1-CE1 4.29Å; I615-L648 HydrophobicContact CD1-CD1 4.31Å; I615-L648 HydrophobicContact CD1-CD2 3.77Å; I615-W685 HydrophobicContact CD1-CH2 3.8Å; I615-W685 HydrophobicContact CD1-CZ2 3.73Å
616	K	77.1	Confident	73.2	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.035	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125	178.8	-173.4	-171.4	-178.7	-178.3	0	109.9	Y603 L604 L618 Y623	Y603-K616 CarbonylContact C-O 3.55Å; Y603-K616 VanDerWaalsContact CA-O 3.32Å; Y603-K616 WeakPolarHBondContact CA-O 3.41Å; L604-K616 HydrophobicContact CB-CB 4.44Å; L604-K616 PolarHBondContact N-O 3.12Å; L604-K616 PolarHBondContact O-N 3.39Å; K616-L618 HydrophobicContact CD-CD2 4.47Å; K616-Y623 HydrophobicContact CB-CD1 3.89Å; K616-Y623 HydrophobicContact CB-CE1 3.65Å; K616-Y623 HydrophobicContact CD-CE1 3.91Å; K616-Y623 WeakPolarHBondContact CD-OH 3.32Å; K616-Y623 HydrophobicContact CG-CD1 4.12Å; K616-Y623 HydrophobicContact CG-CE1 3.72Å; K616-Y623 HydrophobicContact CG-CE2 4.42Å
617	E	75.3	Confident	72.7	Confident	28 Å²	28	42.8 Å²	42.8	13%	0.131	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	122.4	166.1	-173.6	175.2	-142.7	0	0	109.3	N601 Y603 S620 G621 R622	N601-E617 VanDerWaalsContact CG-OE1 3.26Å; N601-E617 PolarHBondContact ND2-OE1 2.83Å; Y603-E617 HydrophobicContact CD1-CB 4.02Å; Y603-E617 HydrophobicContact CD1-CG 4.41Å; Y603-E617 HydrophobicContact CE1-CB 3.75Å; Y603-E617 HydrophobicContact CE1-CG 3.87Å; Y603-E617 PolarHBondContact OH-OE1 3.4Å; E617-S620 VanDerWaalsContact CD-OG 3.3Å; E617-S620 WeakPolarHBondContact OE2-CB 3.39Å; E617-S620 PolarHBondContact OE2-OG 3.26Å; E617-G621 CarbonylContact O-C 3.51Å; E617-G621 WeakPolarHBondContact O-CA 3.11Å; E617-G621 PolarHBondContact O-N 2.8Å; E617-R622 PolarHBondContact N-O 3.16Å
618	L	73.4	Confident	72.2	Confident	15 Å²	15	50.1 Å²	50.1	8%	0.079	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-31.6	-171.2	-66.8	179	0	0	0	113	L504 P505 I506 V570 N602 L604 K616	L504-L618 HydrophobicContact CD2-CD1 3.87Å; L504-L618 HydrophobicContact CD2-CD2 4.12Å; P505-L618 HydrophobicContact CG-CD1 4.07Å; I506-L618 HydrophobicContact CD1-CB 4.14Å; V570-L618 HydrophobicContact CG1-CD1 4.27Å; N602-L618 HydrophobicContact CB-CB 4.35Å; N602-L618 HydrophobicContact CB-CD1 3.93Å; N602-L618 HydrophobicContact CB-CG 4.48Å; N602-L618 VanDerWaalsContact O-CB 3.3Å; N602-L618 WeakPolarHBondContact O-CB 3.42Å; N602-L618 WeakPolarHBondContact O-CG 3.12Å; N602-L618 PolarHBondContact O-N 2.96Å; L604-L618 HydrophobicContact CB-CD2 3.87Å; L604-L618 HydrophobicContact CB-CG 4.31Å; K616-L618 HydrophobicContact CD-CD2 4.47Å
619	Q	69.9	Low	71.6	Confident	73 Å²	73	50 Å²	50	34%	0.341	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-52.8	-178.8	-74.2	74.6	7.4	0	0	112.1	I506 R600 N602 G621	I506-Q619 HydrophobicContact CD1-CB 4.39Å; I506-Q619 HydrophobicContact CD1-CG 3.7Å; R600-Q619 PolarHBondContact O-NE2 3.4Å; N602-Q619 PolarHBondContact ND2-NE2 2.89Å; N602-Q619 VanDerWaalsContact ND2-NE2 3.18Å; N602-Q619 PolarHBondContact O-OE1 3.34Å; Q619-G621 VanDerWaalsContact C-N 3.35Å
620	S	69	Low	70.7	Confident	59 Å²	59	51.8 Å²	51.8	41%	0.413	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-18.2	-178.7	71.7	0	0	0	0	112.3	E617 R622	E617-S620 VanDerWaalsContact CD-OG 3.3Å; E617-S620 WeakPolarHBondContact OE2-CB 3.39Å; E617-S620 PolarHBondContact OE2-OG 3.26Å; S620-R622 PolarHBondContact O-N 3.18Å; S620-R622 VanDerWaalsContact OG-CB 3.24Å; S620-R622 WeakPolarHBondContact OG-CB 3.08Å; S620-R622 VanDerWaalsContact OG-CG 3.31Å; S620-R622 WeakPolarHBondContact OG-CG 3.42Å; S620-R622 PolarHBondContact OG-N 3.34Å
621	G	68.8	Low	69.8	Low	33 Å²	33	50.3 Å²	50.3	34%	0.34	24%	0.238	S	C	.	.			trans	70.3	4.5	-169.6	0	0	0	0	0	113.8	E617 Q619	E617-G621 CarbonylContact O-C 3.51Å; E617-G621 WeakPolarHBondContact O-CA 3.11Å; E617-G621 PolarHBondContact O-N 2.8Å; Q619-G621 VanDerWaalsContact C-N 3.35Å
622	R	70.2	Confident	69.3	Low	184 Å²	184	45.8 Å²	45.8	69%	0.694	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-73.2	145.6	-178.4	-67.2	179.8	175.7	-173.7	-0.4	110.8	E617 S620	E617-R622 PolarHBondContact N-O 3.16Å; S620-R622 PolarHBondContact O-N 3.18Å; S620-R622 VanDerWaalsContact OG-CB 3.24Å; S620-R622 WeakPolarHBondContact OG-CB 3.08Å; S620-R622 VanDerWaalsContact OG-CG 3.31Å; S620-R622 WeakPolarHBondContact OG-CG 3.42Å; S620-R622 PolarHBondContact OG-N 3.34Å
623	Y	73.7	Confident	68.7	Low	66 Å²	66	45.8 Å²	45.8	26%	0.259	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-94.9	133.5	169.9	-69.5	-86.5	0	0	0	108.7	Y331 R559 I614 I615 K616	Y331-Y623 HydrophobicContact CE1-CD2 4.02Å; Y331-Y623 HydrophobicContact CE1-CE2 4.3Å; R559-Y623 PolarHBondContact NH1-OH 2.92Å; R559-Y623 PolarHBondContact NH2-OH 2.67Å; I614-Y623 HydrophobicContact CG2-CD1 3.69Å; I614-Y623 HydrophobicContact CG2-CE1 3.92Å; I615-Y623 WeakPolarHBondContact O-CA 3.35Å; K616-Y623 HydrophobicContact CB-CD1 3.89Å; K616-Y623 HydrophobicContact CB-CE1 3.65Å; K616-Y623 HydrophobicContact CD-CE1 3.91Å; K616-Y623 WeakPolarHBondContact CD-OH 3.32Å; K616-Y623 HydrophobicContact CG-CD1 4.12Å; K616-Y623 HydrophobicContact CG-CE1 3.72Å; K616-Y623 HydrophobicContact CG-CE2 4.42Å
624	L	70.1	Confident	68.3	Low	27 Å²	27	46 Å²	46	14%	0.141	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-71.2	159.4	166	-63.5	179.9	0	0	0	109.4	Y603 I615 L626 I646 L678	Y603-L624 HydrophobicContact CD1-CD1 4.2Å; Y603-L624 HydrophobicContact CE1-CD1 4.13Å; I615-L624 HydrophobicContact CB-CB 4.19Å; I615-L624 HydrophobicContact CB-CD1 4.08Å; I615-L624 HydrophobicContact CB-CG 4.42Å; I615-L624 HydrophobicContact CD1-CD1 4.29Å; I615-L624 HydrophobicContact CG2-CD1 3.78Å; I615-L624 HydrophobicContact CG2-CG 4.4Å; I615-L624 PolarHBondContact O-N 2.82Å; L624-L626 PolarHBondContact O-N 2.7Å; L624-I646 HydrophobicContact CD1-CD1 4.28Å; L624-I646 HydrophobicContact CD2-CD1 4.5Å; L624-L678 HydrophobicContact CD2-CD2 4.38Å
625	P	65.8	Low	67.4	Low	37 Å²	37	49 Å²	49	24%	0.24	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-51.2	130.5	176.7	-27.5	35.7	0	0	0	111.6	L678 L683 W685	P625-L678 HydrophobicContact CG-CD1 4.21Å; P625-L683 HydrophobicContact CG-CB 4.07Å; P625-L683 HydrophobicContact CG-CD2 4.05Å; P625-L683 WeakPolarHBondContact CG-O 3.3Å; P625-W685 PolarHBondContact O-NE1 3.16Å
626	L	66.5	Low	66.4	Low	71 Å²	71	52 Å²	52	37%	0.372	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-64.1	144.8	176.4	-68.4	165.9	0	0	0	110.1	L335 L612 I614 L624	L335-L626 HydrophobicContact CD2-CD1 3.87Å; L612-L626 HydrophobicContact CD1-CB 4.12Å; L612-L626 HydrophobicContact CD1-CD2 4.22Å; L612-L626 HydrophobicContact CD2-CD2 4.27Å; L612-L626 HydrophobicContact CG-CD2 4.34Å; I614-L626 HydrophobicContact CB-CD2 4.12Å; I614-L626 HydrophobicContact CD1-CD2 4.3Å; I614-L626 HydrophobicContact CG1-CD2 3.6Å; I614-L626 HydrophobicContact CG2-CD2 4.06Å; L624-L626 PolarHBondContact O-N 2.7Å
627	F	68.7	Low	65.5	Low	12 Å²	12	52.2 Å²	52.2	5%	0.053	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	156.2	168.9	73.5	-84.5	0	0	0	111.1	V613 I615 T629 L648 T650 Y676 W685	V613-F627 HydrophobicContact CB-CD1 4.35Å; V613-F627 HydrophobicContact CB-CE1 3.61Å; V613-F627 HydrophobicContact CB-CE2 3.9Å; V613-F627 HydrophobicContact CB-CZ 3.32Å; V613-F627 HydrophobicContact CG1-CE1 3.67Å; V613-F627 HydrophobicContact CG1-CZ 3.54Å; V613-F627 HydrophobicContact CG2-CE2 3.98Å; V613-F627 HydrophobicContact CG2-CZ 3.74Å; V613-F627 PolarHBondContact N-O 2.91Å; I615-F627 HydrophobicContact CD1-CE1 4.29Å; F627-T629 HydrophobicContact CE2-CG2 3.86Å; F627-L648 HydrophobicContact CE1-CD2 3.26Å; F627-L648 HydrophobicContact CE2-CD2 4.25Å; F627-L648 HydrophobicContact CZ-CD2 3.1Å; F627-L648 HydrophobicContact CZ-CG 4.48Å; F627-T650 HydrophobicContact CE2-CG2 4.16Å; F627-T650 HydrophobicContact CZ-CG2 3.89Å; F627-Y676 AromaticContact CD2-CD1 3.74Å; F627-Y676 HydrophobicContact CD2-CD1 3.74Å; F627-Y676 HydrophobicContact CD2-CD2 4.06Å; F627-Y676 AromaticContact CD2-CE1 3.49Å; F627-Y676 HydrophobicContact CD2-CE1 3.49Å; F627-Y676 VanDerWaalsContact CD2-CE1 3.49Å; F627-Y676 AromaticContact CD2-CE2 3.83Å; F627-Y676 HydrophobicContact CD2-CE2 3.83Å; F627-Y676 AromaticContact CD2-CG 4Å; F627-Y676 HydrophobicContact CD2-CG 4Å; F627-Y676 AromaticContact CD2-CZ 3.53Å; F627-Y676 HydrophobicContact CE2-CD1 4.1Å; F627-Y676 AromaticContact CE2-CD2 3.54Å; F627-Y676 HydrophobicContact CE2-CD2 3.54Å; F627-Y676 AromaticContact CE2-CE1 3.95Å; F627-Y676 HydrophobicContact CE2-CE1 3.95Å; F627-Y676 AromaticContact CE2-CE2 3.37Å; F627-Y676 HydrophobicContact CE2-CE2 3.37Å; F627-Y676 AromaticContact CE2-CG 3.89Å; F627-Y676 HydrophobicContact CE2-CG 3.89Å; F627-Y676 AromaticContact CE2-CZ 3.58Å; F627-Y676 HydrophobicContact CG-CD1 4.3Å; F627-Y676 HydrophobicContact CG-CE1 4.35Å; F627-Y676 HydrophobicContact CZ-CD2 4.12Å; F627-Y676 HydrophobicContact CZ-CE2 4.32Å; F627-Y676 HydrophobicContact CZ-CG 4.42Å; F627-W685 HydrophobicContact CB-CG 4.18Å; F627-W685 HydrophobicContact CD1-CD2 4.19Å; F627-W685 AromaticContact CD1-CE2 3.72Å; F627-W685 HydrophobicContact CD1-CG 4.33Å; F627-W685 HydrophobicContact CD1-CZ2 4.11Å; F627-W685 AromaticContact CD1-NE1 3.61Å; F627-W685 HydrophobicContact CE1-CZ2 4.25Å; F627-W685 HydrophobicContact CG-CG 4.36Å
628	Y	67.4	Low	64.6	Low	154 Å²	154	51.8 Å²	51.8	60%	0.604	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.9	177.6	-67.1	-92	0	0	0	109.4	R611 L612 Y676	R611-Y628 CarbonylContact O-C 3.59Å; L612-Y628 HydrophobicContact CB-CD1 4.26Å; L612-Y628 HydrophobicContact CB-CE1 4.13Å; L612-Y628 HydrophobicContact CD1-CD1 4.04Å; L612-Y628 HydrophobicContact CD1-CD2 4.25Å; L612-Y628 HydrophobicContact CD1-CE1 3.75Å; L612-Y628 HydrophobicContact CD1-CE2 3.97Å; L612-Y628 HydrophobicContact CD1-CG 4.29Å; Y628-Y676 PolarHBondContact O-OH 2.86Å
629	T	64.8	Low	63.7	Low	2 Å²	2	52.2 Å²	52.2	1%	0.012	27%	0.27	C	S	.	.			trans	-73.6	127.5	162.4	55.9	0	0	0	0	108	R611 V613 F627 L631 G632 T650 C652 Y676	R611-T629 WeakPolarHBondContact CA-OG1 3.31Å; R611-T629 WeakPolarHBondContact CB-O 2.91Å; R611-T629 VanDerWaalsContact CB-OG1 3.28Å; R611-T629 WeakPolarHBondContact CB-OG1 3.36Å; R611-T629 VanDerWaalsContact CD-O 3.22Å; R611-T629 WeakPolarHBondContact CD-O 3.48Å; R611-T629 PolarHBondContact O-N 3.01Å; R611-T629 PolarHBondContact O-OG1 2.84Å; V613-T629 HydrophobicContact CG2-CG2 3.64Å; F627-T629 HydrophobicContact CE2-CG2 3.86Å; T629-L631 VanDerWaalsContact C-N 3.3Å; T629-G632 PolarHBondContact OG1-O 3.05Å; T629-T650 HydrophobicContact CG2-CG2 4.4Å; T629-C652 VanDerWaalsContact CB-SG 3.53Å; T629-C652 WeakPolarHBondContact CG2-SG 3.46Å; T629-Y676 WeakPolarHBondContact CA-OH 3.37Å; T629-Y676 HydrophobicContact CG2-CE2 4.39Å
630	E	57.4	Low	62.9	Low	122 Å²	122	50.4 Å²	50.4	57%	0.57	27%	0.265	S	S	*	.	S	Bend	trans	-78.7	-22.5	-175.3	-74.2	-176.7	150.1	0	0	111.8	R611 K687	R611-E630 PolarHBondContact NH1-O 2.89Å; E630-K687 IonicContact OE2-NZ 2.77Å; E630-K687 PolarHBondContact OE2-NZ 3.42Å
631	L	54.3	Low	62.1	Low	24 Å²	24	48.6 Å²	48.6	13%	0.126	25%	0.251	C	S	.	.	S	Bend	trans	-107.4	-16.3	-158.4	-59.5	134.8	0	0	0	113.3	T629 C652 L654 T672 D674 H689	T629-L631 VanDerWaalsContact C-N 3.3Å; L631-C652 HydrophobicContact CB-CB 4.48Å; L631-L654 HydrophobicContact CB-CD1 4.22Å; L631-L654 HydrophobicContact CD2-CD1 4.21Å; L631-L654 WeakPolarHBondContact O-CA 3.49Å; L631-L654 VanDerWaalsContact O-CD1 3.27Å; L631-L654 WeakPolarHBondContact O-CD1 3.29Å; L631-T672 WeakPolarHBondContact CB-OG1 3.43Å; L631-T672 WeakPolarHBondContact CD1-OG1 3.28Å; L631-T672 HydrophobicContact CD2-CG2 3.84Å; L631-T672 VanDerWaalsContact CD2-OG1 3.32Å; L631-T672 WeakPolarHBondContact CD2-OG1 3.31Å; L631-T672 VanDerWaalsContact CG-OG1 3.3Å; L631-T672 WeakPolarHBondContact CG-OG1 3.34Å; L631-D674 WeakPolarHBondContact CD1-OD1 3.34Å; L631-D674 WeakPolarHBondContact CD1-OD2 3.16Å; L631-H689 WeakPolarHBondContact CD1-CE1 3.33Å
632	G	60	Low	61.2	Low	7 Å²	7	48.7 Å²	48.7	7%	0.072	25%	0.246	C	C	.	.	S	Bend	trans	159.1	-153.6	172.6	0	0	0	0	0	114.1	R611 T629 Y653	R611-G632 WeakPolarHBondContact CG-O 3.39Å; T629-G632 PolarHBondContact OG1-O 3.05Å; G632-Y653 WeakPolarHBondContact CA-O 3.4Å
633	S	62.7	Low	59.8	Low	23 Å²	23	43 Å²	43	16%	0.161	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	141	-179.9	52.3	0	0	0	0	111.1	Q609 V635 Y653	Q609-S633 VanDerWaalsContact OE1-CB 3.31Å; S633-V635 PolarHBondContact O-N 2.78Å; S633-Y653 PolarHBondContact O-N 3.07Å; S633-Y653 VanDerWaalsContact O-N 3.16Å
634	L	64.3	Low	58.5	Low	4 Å²	4	47 Å²	47	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	125.9	174.8	-171.3	68.9	0	0	0	109.7	T566 Y567 V605 V613 D636 A637 T650	T566-L634 PolarHBondContact OG1-O 2.82Å; Y567-L634 HydrophobicContact CD1-CD2 3.65Å; Y567-L634 HydrophobicContact CD1-CG 4.26Å; Y567-L634 HydrophobicContact CE1-CD2 4.34Å; Y567-L634 HydrophobicContact CG-CD2 4.26Å; Y567-L634 HydrophobicContact CG-CG 4.47Å; V605-L634 HydrophobicContact CG1-CD2 4.17Å; V613-L634 HydrophobicContact CG1-CD2 4.35Å; V613-L634 HydrophobicContact CG2-CD1 4.49Å; V613-L634 HydrophobicContact CG2-CD2 4.16Å; L634-D636 VanDerWaalsContact CD1-O 3.27Å; L634-D636 WeakPolarHBondContact CD1-O 3.36Å; L634-A637 HydrophobicContact CD1-CB 4.23Å; L634-A637 HydrophobicContact CD2-CB 4.14Å; L634-T650 VanDerWaalsContact CD1-CB 3.5Å; L634-T650 HydrophobicContact CD1-CG2 3.72Å
635	V	58.9	Low	57.6	Low	79 Å²	79	50 Å²	50	48%	0.479	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-40.3	175.7	178.9	0	0	0	0	110.5	Y567 S633 A651	Y567-V635 WeakPolarHBondContact CD2-O 3.29Å; Y567-V635 WeakPolarHBondContact CE2-O 3.41Å; S633-V635 PolarHBondContact O-N 2.78Å; V635-A651 PolarHBondContact N-O 3.12Å
636	D	55.6	Low	57.2	Low	64 Å²	64	48.5 Å²	48.5	34%	0.342	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	156.7	176.4	-158.3	10.6	0	0	0	110.3	Y567 L634 A651	Y567-D636 PolarHBondContact OH-OD1 3.08Å; L634-D636 VanDerWaalsContact CD1-O 3.27Å; L634-D636 WeakPolarHBondContact CD1-O 3.36Å; D636-A651 HydrophobicContact CB-CB 4.13Å; D636-A651 PolarHBondContact N-O 3.2Å; D636-A651 WeakPolarHBondContact O-CB 3.34Å; D636-A651 PolarHBondContact O-N 3.24Å
637	A	59	Low	56.8	Low	12 Å²	12	45.7 Å²	45.7	10%	0.099	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	137.9	179.4	0	0	0	0	0	110.1	Y567 V605 L634 L648 L649	Y567-A637 HydrophobicContact CE1-CB 4.04Å; V605-A637 HydrophobicContact CG1-CB 4.11Å; L634-A637 HydrophobicContact CD1-CB 4.23Å; L634-A637 HydrophobicContact CD2-CB 4.14Å; A637-L648 HydrophobicContact CB-CD1 4.25Å; A637-L649 WeakPolarHBondContact CA-O 3.36Å
638	G	55.7	Low	56.4	Low	19 Å²	19	45.1 Å²	45.1	20%	0.196	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.4	165.9	0	0	0	0	0	110.2	L649	G638-L649 PolarHBondContact N-O 3.27Å; G638-L649 VanDerWaalsContact N-O 3.11Å; G638-L649 PolarHBondContact O-N 2.71Å
639	L	55.6	Low	55.9	Low	24 Å²	24	38.2 Å²	38.2	13%	0.126	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120	-177	-167.9	71	0	0	0	107.5	I571 Y603 I641 I646 N647 L648	I571-L639 HydrophobicContact CB-CB 4.32Å; I571-L639 HydrophobicContact CD1-CB 3.66Å; I571-L639 HydrophobicContact CG2-CB 3.85Å; Y603-L639 HydrophobicContact CD2-CD2 3.99Å; Y603-L639 HydrophobicContact CG-CD2 3.93Å; L639-I641 HydrophobicContact CD2-CD1 3.73Å; L639-I641 HydrophobicContact CD2-CG1 4Å; L639-I641 HydrophobicContact CG-CD1 4.22Å; L639-I641 HydrophobicContact CG-CG1 3.9Å; L639-I646 HydrophobicContact CD1-CG2 3.41Å; L639-I646 VanDerWaalsContact CD1-CG2 3.41Å; L639-I646 HydrophobicContact CD2-CG2 4.48Å; L639-I646 HydrophobicContact CG-CG2 4.12Å; L639-N647 WeakPolarHBondContact CA-O 3.48Å; L639-L648 HydrophobicContact CB-CD1 4.31Å; L639-L648 HydrophobicContact CD1-CB 3.69Å; L639-L648 HydrophobicContact CD1-CD1 3.68Å; L639-L648 HydrophobicContact CD1-CG 4.27Å
640	S	52.8	Low	55.5	Low	35 Å²	35	38.1 Å²	38.1	25%	0.245	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.8	166.6	179.9	0	0	0	0	108.1	N647	S640-N647 PolarHBondContact N-O 3.3Å; S640-N647 PolarHBondContact O-N 3.24Å
641	I	52.6	Low	55.5	Low	22 Å²	22	32.5 Å²	32.5	11%	0.113	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113.3	179.7	-56.4	-175.8	0	0	0	108	Y603 L639 I646	Y603-I641 HydrophobicContact CD2-CD1 3.67Å; Y603-I641 HydrophobicContact CE2-CD1 3.15Å; L639-I641 HydrophobicContact CD2-CD1 3.73Å; L639-I641 HydrophobicContact CD2-CG1 4Å; L639-I641 HydrophobicContact CG-CD1 4.22Å; L639-I641 HydrophobicContact CG-CG1 3.9Å; I641-I646 HydrophobicContact CD1-CG1 4.48Å; I641-I646 HydrophobicContact CG1-CG1 4.18Å; I641-I646 HydrophobicContact CG1-CG2 4.29Å; I641-I646 HydrophobicContact CG2-CG1 3.98Å
642	S	48.6	Very low	55.4	Low	35 Å²	35	31.4 Å²	31.4	25%	0.245	18%	0.182	C	C	.	.			trans	-97.8	174.4	169.5	74.7	0	0	0	0	110	K644 Y645	S642-K644 PolarHBondContact O-N 2.78Å; S642-K644 PolarHBondContact OG-N 3.02Å; S642-Y645 PolarHBondContact N-O 2.77Å; S642-Y645 PolarHBondContact OG-N 2.85Å; S642-Y645 PolarHBondContact OG-O 2.96Å
643	A	41.9	Very low	55.1	Low	65 Å²	65	33.1 Å²	33.1	54%	0.537	19%	0.186	S	C	.	.	S	Bend	trans	-66.6	-14.1	176.9	0	0	0	0	0	114.4
644	K	45.2	Very low	54.4	Low	148 Å²	148	34.5 Å²	34.5	64%	0.643	19%	0.191	S	C	*	.	S	Bend	trans	-121.4	-22	-175.8	-69.1	-176.8	179	177.9	0	113.9	S642	S642-K644 PolarHBondContact O-N 2.78Å; S642-K644 PolarHBondContact OG-N 3.02Å
645	Y	52.1	Low	53.4	Low	90 Å²	90	39.7 Å²	39.7	35%	0.353	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	137.7	-170.7	-53.2	-71.8	0	0	0	110.8	S642	S642-Y645 PolarHBondContact N-O 2.77Å; S642-Y645 PolarHBondContact OG-N 2.85Å; S642-Y645 PolarHBondContact OG-O 2.96Å
646	I	57.5	Low	52.4	Low	7 Å²	7	37.8 Å²	37.8	4%	0.036	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	107.9	164.9	-66.8	163.3	0	0	0	107	L624 L639 I641 L678 W685	L624-I646 HydrophobicContact CD1-CD1 4.28Å; L624-I646 HydrophobicContact CD2-CD1 4.5Å; L639-I646 HydrophobicContact CD1-CG2 3.41Å; L639-I646 VanDerWaalsContact CD1-CG2 3.41Å; L639-I646 HydrophobicContact CD2-CG2 4.48Å; L639-I646 HydrophobicContact CG-CG2 4.12Å; I641-I646 HydrophobicContact CD1-CG1 4.48Å; I641-I646 HydrophobicContact CG1-CG1 4.18Å; I641-I646 HydrophobicContact CG1-CG2 4.29Å; I641-I646 HydrophobicContact CG2-CG1 3.98Å; I646-L678 HydrophobicContact CB-CB 4.02Å; I646-L678 HydrophobicContact CB-CD2 4.38Å; I646-L678 HydrophobicContact CD1-CD2 4.01Å; I646-L678 PolarHBondContact O-N 3.2Å; I646-W685 HydrophobicContact CG2-CH2 4.11Å; I646-W685 HydrophobicContact CG2-CZ3 4.48Å
647	N	57.2	Low	51.3	Low	12 Å²	12	41.6 Å²	41.6	6%	0.064	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	110.3	178.2	-62.4	-14.6	0	0	0	108.3	L639 S640 Y676 N677	L639-N647 WeakPolarHBondContact CA-O 3.48Å; S640-N647 PolarHBondContact N-O 3.3Å; S640-N647 PolarHBondContact O-N 3.24Å; N647-Y676 CarbonylContact C-O 3.51Å; N647-Y676 WeakPolarHBondContact CA-O 3.49Å; N647-N677 WeakPolarHBondContact CB-OD1 3Å; N647-N677 PolarHBondContact OD1-OD1 2.81Å
648	L	61	Low	50.1	Low	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.8	171.2	179.6	79.7	0	0	0	108.9	V613 I615 F627 A637 L639 T650 Y676 W685	V613-L648 HydrophobicContact CG1-CD2 4.42Å; I615-L648 HydrophobicContact CD1-CD1 4.31Å; I615-L648 HydrophobicContact CD1-CD2 3.77Å; F627-L648 HydrophobicContact CE1-CD2 3.26Å; F627-L648 HydrophobicContact CE2-CD2 4.25Å; F627-L648 HydrophobicContact CZ-CD2 3.1Å; F627-L648 HydrophobicContact CZ-CG 4.48Å; A637-L648 HydrophobicContact CB-CD1 4.25Å; L639-L648 HydrophobicContact CB-CD1 4.31Å; L639-L648 HydrophobicContact CD1-CB 3.69Å; L639-L648 HydrophobicContact CD1-CD1 3.68Å; L639-L648 HydrophobicContact CD1-CG 4.27Å; L648-T650 HydrophobicContact CD2-CG2 3.67Å; L648-T650 HydrophobicContact CG-CG2 3.9Å; L648-Y676 PolarHBondContact N-O 2.83Å; L648-Y676 PolarHBondContact O-N 3.02Å; L648-W685 HydrophobicContact CB-CH2 3.84Å; L648-W685 HydrophobicContact CB-CZ3 3.69Å; L648-W685 HydrophobicContact CD2-CH2 4.34Å
649	L	57.4	Low	49	Very low	8 Å²	8	59.5 Å²	59.5	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.2	163.8	-178.6	78	0	0	0	108.6	A637 G638 I675 I701 I703 V714	A637-L649 WeakPolarHBondContact CA-O 3.36Å; G638-L649 PolarHBondContact N-O 3.27Å; G638-L649 VanDerWaalsContact N-O 3.11Å; G638-L649 PolarHBondContact O-N 2.71Å; L649-I675 HydrophobicContact CD1-CB 4.26Å; L649-I675 HydrophobicContact CD1-CD1 4.33Å; L649-I675 HydrophobicContact CD1-CG1 3.24Å; L649-I701 HydrophobicContact CD2-CG2 4.3Å; L649-I703 HydrophobicContact CB-CD1 3.43Å; L649-I703 VanDerWaalsContact CB-CD1 3.43Å; L649-I703 HydrophobicContact CB-CG1 4.07Å; L649-I703 HydrophobicContact CD2-CD1 3.7Å; L649-I703 HydrophobicContact CD2-CG1 3.31Å; L649-I703 HydrophobicContact CG-CD1 4.15Å; L649-I703 HydrophobicContact CG-CG1 4.29Å; L649-V714 HydrophobicContact CD1-CG2 3.99Å; L649-V714 HydrophobicContact CD2-CB 4.41Å; L649-V714 HydrophobicContact CD2-CG1 3.94Å; L649-V714 HydrophobicContact CD2-CG2 3.64Å
650	T	56.6	Low	47.8	Very low	0 Å²	0	63 Å²	63	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.4	170.2	63.4	0	0	0	0	111.1	F627 T629 L634 L648 D674 Y676	F627-T650 HydrophobicContact CE2-CG2 4.16Å; F627-T650 HydrophobicContact CZ-CG2 3.89Å; T629-T650 HydrophobicContact CG2-CG2 4.4Å; L634-T650 VanDerWaalsContact CD1-CB 3.5Å; L634-T650 HydrophobicContact CD1-CG2 3.72Å; L648-T650 HydrophobicContact CD2-CG2 3.67Å; L648-T650 HydrophobicContact CG-CG2 3.9Å; T650-D674 PolarHBondContact N-O 3.27Å; T650-D674 PolarHBondContact OG1-O 2.69Å; T650-Y676 HydrophobicContact CG2-CD2 4.18Å; T650-Y676 HydrophobicContact CG2-CE2 4.28Å; T650-Y676 WeakPolarHBondContact OG1-CE2 3.21Å
651	A	56.8	Low	46.9	Very low	4 Å²	4	68.6 Å²	68.6	3%	0.033	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112	166.5	0	0	0	0	0	108.6	V635 D636 F673 I701	V635-A651 PolarHBondContact N-O 3.12Å; D636-A651 HydrophobicContact CB-CB 4.13Å; D636-A651 PolarHBondContact N-O 3.2Å; D636-A651 WeakPolarHBondContact O-CB 3.34Å; D636-A651 PolarHBondContact O-N 3.24Å; A651-F673 HydrophobicContact CB-CE1 4.19Å; A651-I701 HydrophobicContact CB-CB 4.11Å; A651-I701 HydrophobicContact CB-CD1 3.75Å; A651-I701 HydrophobicContact CB-CG1 4.3Å; A651-I701 HydrophobicContact CB-CG2 4.43Å
652	C	53	Low	46	Very low	1 Å²	1	76.6 Å²	76.6	1%	0.007	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.9	-179.1	-63.1	0	0	0	0	111.1	T629 L631	T629-C652 VanDerWaalsContact CB-SG 3.53Å; T629-C652 WeakPolarHBondContact CG2-SG 3.46Å; L631-C652 HydrophobicContact CB-CB 4.48Å
653	Y	52.3	Low	45.2	Very low	44 Å²	44	82.2 Å²	82.2	17%	0.173	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.6	175.1	-175.4	-78.4	0	0	0	111.1	G632 S633 N655 K669 F671	G632-Y653 WeakPolarHBondContact CA-O 3.4Å; S633-Y653 PolarHBondContact O-N 3.07Å; S633-Y653 VanDerWaalsContact O-N 3.16Å; Y653-N655 WeakPolarHBondContact CE1-OD1 3.49Å; Y653-N655 PolarHBondContact O-N 2.87Å; Y653-K669 HydrophobicContact CE1-CG 4.46Å; Y653-K669 HydrophobicContact CE2-CB 4.47Å; Y653-K669 HydrophobicContact CE2-CD 3.72Å; Y653-K669 HydrophobicContact CE2-CG 4.24Å; Y653-K669 VanDerWaalsContact CZ-CD 3.49Å; Y653-K669 WeakPolarHBondContact OH-CD 3.12Å; Y653-K669 WeakPolarHBondContact OH-CE 3.15Å; Y653-K669 VanDerWaalsContact OH-CG 3.3Å; Y653-K669 WeakPolarHBondContact OH-CG 3.19Å; Y653-K669 PolarHBondContact OH-NZ 3.02Å; Y653-F671 HydrophobicContact CD2-CD1 4.48Å; Y653-F671 AromaticContact CD2-CE1 3.47Å; Y653-F671 HydrophobicContact CD2-CE1 3.47Å; Y653-F671 VanDerWaalsContact CD2-CE1 3.47Å; Y653-F671 HydrophobicContact CD2-CE2 4.14Å; Y653-F671 AromaticContact CD2-CZ 3.27Å; Y653-F671 HydrophobicContact CD2-CZ 3.27Å; Y653-F671 HydrophobicContact CE2-CE1 4.28Å; Y653-F671 HydrophobicContact CE2-CE2 4.16Å; Y653-F671 AromaticContact CE2-CZ 3.63Å; Y653-F671 HydrophobicContact CE2-CZ 3.63Å; Y653-F671 HydrophobicContact CG-CE1 4.19Å; Y653-F671 HydrophobicContact CG-CZ 4.35Å
654	L	47.9	Very low	44.5	Very low	51 Å²	51	85.2 Å²	85.2	27%	0.267	43%	0.425	S	S	.	.			trans	-81.9	112.6	172.3	-167	85.6	0	0	0	110.5	L631 G656 K670	L631-L654 HydrophobicContact CB-CD1 4.22Å; L631-L654 HydrophobicContact CD2-CD1 4.21Å; L631-L654 WeakPolarHBondContact O-CA 3.49Å; L631-L654 VanDerWaalsContact O-CD1 3.27Å; L631-L654 WeakPolarHBondContact O-CD1 3.29Å; L654-G656 VanDerWaalsContact C-N 3.32Å; L654-G656 PolarHBondContact O-N 2.82Å; L654-K670 WeakPolarHBondContact CB-O 3.43Å; L654-K670 HydrophobicContact CD2-CB 3.94Å
655	N	43.5	Very low	43.6	Very low	113 Å²	113	85.1 Å²	85.1	60%	0.604	43%	0.431	S	S	*	.			trans	-76.2	86.6	164.4	-101.9	-20.6	0	0	0	109	Y653 N657	Y653-N655 WeakPolarHBondContact CE1-OD1 3.49Å; Y653-N655 PolarHBondContact O-N 2.87Å; N655-N657 VanDerWaalsContact C-N 3.27Å; N655-N657 PolarHBondContact O-N 3.43Å
656	G	37.3	Very low	42.4	Very low	40 Å²	40	87 Å²	87	41%	0.412	44%	0.444	S	S	.	.			trans	-68.5	82.1	169.9	0	0	0	0	0	110.7	L654	L654-G656 VanDerWaalsContact C-N 3.32Å; L654-G656 PolarHBondContact O-N 2.82Å
657	N	33.7	Very low	41.1	Very low	144 Å²	144	91.6 Å²	91.6	77%	0.77	47%	0.469	S	S	*	.			trans	-119.3	12.1	171.8	-122	11.7	0	0	0	112.7	N655 H659	N655-N657 VanDerWaalsContact C-N 3.27Å; N655-N657 PolarHBondContact O-N 3.43Å; N657-H659 PolarHBondContact O-N 2.8Å
658	R	32.9	Very low	40.1	Very low	216 Å²	216	95.4 Å²	95.4	82%	0.815	49%	0.486	S	S	*	.	S	Bend	trans	-94.7	96.9	179.7	-67.3	-171.8	-178.8	-174.9	0.3	110.6
659	H	32.3	Very low	39	Very low	191 Å²	191	98.7 Å²	98.7	88%	0.884	50%	0.5	S	S	*	.			trans	60.9	46.3	149	-61.2	-64.3	0	0	0	120.3	N657	N657-H659 PolarHBondContact O-N 2.8Å
660	S	31.5	Very low	38.3	Very low	98 Å²	98	103.1 Å²	103.1	69%	0.685	52%	0.519	S	S	*	.			trans	-91.5	132.4	158.4	57.1	0	0	0	0	111
661	N	33.8	Very low	37.7	Very low	151 Å²	151	104.3 Å²	104.3	81%	0.807	52%	0.524	S	S	*	.			trans	-50.7	150.8	179	-95.1	-31.2	0	0	0	112.5	D663 D664	N661-D663 PolarHBondContact O-N 3.39Å; N661-D664 PolarHBondContact O-N 3.36Å
662	K	33.1	Very low	37.2	Very low	190 Å²	190	104.4 Å²	104.4	83%	0.826	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-7.5	-168.8	-95	177.3	173.4	176.5	0	118.3
663	D	32.4	Very low	37.2	Very low	153 Å²	153	104.4 Å²	104.4	82%	0.818	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-9	-169.5	-61.4	-28.4	0	0	0	114.7	N661	N661-D663 PolarHBondContact O-N 3.39Å
664	D	27	Very low	37.5	Very low	128 Å²	128	102.4 Å²	102.4	68%	0.684	52%	0.516	S	S	*	.			trans	-113.8	72.2	171.3	-87.2	-31.6	0	0	0	110.5	N661 M666	N661-D664 PolarHBondContact O-N 3.36Å; D664-M666 PolarHBondContact O-N 3.48Å; D664-M666 VanDerWaalsContact O-N 3.07Å
665	L	26.8	Very low	37.9	Very low	147 Å²	147	100.3 Å²	100.3	77%	0.77	51%	0.505	S	S	*	.			trans	-76.4	21.4	174.7	-115.9	151.7	0	0	0	113.1	L667	L665-L667 VanDerWaalsContact C-N 3.32Å; L665-L667 PolarHBondContact O-N 2.87Å; L665-L667 VanDerWaalsContact O-N 3.08Å
666	M	27.2	Very low	38.7	Very low	129 Å²	129	95.3 Å²	95.3	64%	0.635	48%	0.478	S	S	*	.			trans	-78.6	90.7	164.5	-65.8	-66.5	-79	0	0	107.3	D664 H668	D664-M666 PolarHBondContact O-N 3.48Å; D664-M666 VanDerWaalsContact O-N 3.07Å; M666-H668 VanDerWaalsContact CB-NE2 3.33Å; M666-H668 WeakPolarHBondContact CB-NE2 3.44Å; M666-H668 PolarHBondContact O-CD2 3.42Å; M666-H668 PolarHBondContact O-N 3.48Å
667	L	30.2	Very low	39.5	Very low	104 Å²	104	95.5 Å²	95.5	55%	0.545	47%	0.47	S	S	.	.			trans	-62	72.3	173	-130.9	116.3	0	0	0	109.3	L665 K669	L665-L667 VanDerWaalsContact C-N 3.32Å; L665-L667 PolarHBondContact O-N 2.87Å; L665-L667 VanDerWaalsContact O-N 3.08Å; L667-K669 VanDerWaalsContact C-N 3.32Å; L667-K669 PolarHBondContact O-N 2.9Å
668	H	35.2	Very low	40.5	Very low	92 Å²	92	88.8 Å²	88.8	43%	0.426	43%	0.434	S	S	.	.			trans	-75.2	89.2	179.5	-72.6	-58.9	0	0	0	107.9	M666 K670	M666-H668 VanDerWaalsContact CB-NE2 3.33Å; M666-H668 WeakPolarHBondContact CB-NE2 3.44Å; M666-H668 PolarHBondContact O-CD2 3.42Å; M666-H668 PolarHBondContact O-N 3.48Å; H668-K670 VanDerWaalsContact C-N 3.3Å; H668-K670 PolarHBondContact O-N 2.94Å
669	K	38.5	Very low	41.6	Very low	68 Å²	68	79.4 Å²	79.4	30%	0.296	40%	0.4	S	S	.	.			trans	-59.9	92.1	170	-62.6	159.6	-178.1	-148.6	0	107.9	Y653 L667 F671	Y653-K669 HydrophobicContact CE1-CG 4.46Å; Y653-K669 HydrophobicContact CE2-CB 4.47Å; Y653-K669 HydrophobicContact CE2-CD 3.72Å; Y653-K669 HydrophobicContact CE2-CG 4.24Å; Y653-K669 VanDerWaalsContact CZ-CD 3.49Å; Y653-K669 WeakPolarHBondContact OH-CD 3.12Å; Y653-K669 WeakPolarHBondContact OH-CE 3.15Å; Y653-K669 VanDerWaalsContact OH-CG 3.3Å; Y653-K669 WeakPolarHBondContact OH-CG 3.19Å; Y653-K669 PolarHBondContact OH-NZ 3.02Å; L667-K669 VanDerWaalsContact C-N 3.32Å; L667-K669 PolarHBondContact O-N 2.9Å; K669-F671 HydrophobicContact CB-CE2 4.31Å; K669-F671 PolarHBondContact O-N 3.36Å; K669-F671 VanDerWaalsContact O-N 3.14Å
670	K	41.7	Very low	42.7	Very low	102 Å²	102	74.6 Å²	74.6	44%	0.443	38%	0.378	S	S	.	.			trans	-69	105.8	170.9	-75.8	-175.1	176.5	-177.5	0	107.5	L654 H668	L654-K670 WeakPolarHBondContact CB-O 3.43Å; L654-K670 HydrophobicContact CD2-CB 3.94Å; H668-K670 VanDerWaalsContact C-N 3.3Å; H668-K670 PolarHBondContact O-N 2.94Å
671	F	44.4	Very low	43.7	Very low	25 Å²	25	77.3 Å²	77.3	11%	0.11	39%	0.385	C	S	.	.			trans	-74.6	145.2	167.9	-79.5	-94.4	0	0	0	109.8	Y653 K669 F673 C698	Y653-F671 HydrophobicContact CD2-CD1 4.48Å; Y653-F671 AromaticContact CD2-CE1 3.47Å; Y653-F671 HydrophobicContact CD2-CE1 3.47Å; Y653-F671 VanDerWaalsContact CD2-CE1 3.47Å; Y653-F671 HydrophobicContact CD2-CE2 4.14Å; Y653-F671 AromaticContact CD2-CZ 3.27Å; Y653-F671 HydrophobicContact CD2-CZ 3.27Å; Y653-F671 HydrophobicContact CE2-CE1 4.28Å; Y653-F671 HydrophobicContact CE2-CE2 4.16Å; Y653-F671 AromaticContact CE2-CZ 3.63Å; Y653-F671 HydrophobicContact CE2-CZ 3.63Å; Y653-F671 HydrophobicContact CG-CE1 4.19Å; Y653-F671 HydrophobicContact CG-CZ 4.35Å; K669-F671 HydrophobicContact CB-CE2 4.31Å; K669-F671 PolarHBondContact O-N 3.36Å; K669-F671 VanDerWaalsContact O-N 3.14Å; F671-F673 HydrophobicContact CB-CE2 3.97Å; F671-F673 HydrophobicContact CB-CZ 3.78Å; F671-F673 HydrophobicContact CD1-CZ 4.45Å; F671-C698 HydrophobicContact CB-CB 3.89Å; F671-C698 HydrophobicContact CD1-CB 4.06Å; F671-C698 HydrophobicContact CD2-CB 3.55Å; F671-C698 HydrophobicContact CE1-CB 4.42Å; F671-C698 HydrophobicContact CE2-CB 3.97Å; F671-C698 WeakPolarHBondContact CE2-O 3.41Å; F671-C698 HydrophobicContact CG-CB 3.57Å; F671-C698 HydrophobicContact CZ-CB 4.36Å; F671-C698 WeakPolarHBondContact CZ-O 3.45Å
672	T	47.8	Very low	44.7	Very low	5 Å²	5	76 Å²	76	3%	0.031	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.9	-177.4	48.1	0	0	0	0	108.4	L631 V691	L631-T672 WeakPolarHBondContact CB-OG1 3.43Å; L631-T672 WeakPolarHBondContact CD1-OG1 3.28Å; L631-T672 HydrophobicContact CD2-CG2 3.84Å; L631-T672 VanDerWaalsContact CD2-OG1 3.32Å; L631-T672 WeakPolarHBondContact CD2-OG1 3.31Å; L631-T672 VanDerWaalsContact CG-OG1 3.3Å; L631-T672 WeakPolarHBondContact CG-OG1 3.34Å; T672-V691 HydrophobicContact CG2-CG1 4.27Å; T672-V691 HydrophobicContact CG2-CG2 4.2Å
673	F	52.7	Low	45.8	Very low	2 Å²	2	72 Å²	72	1%	0.009	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.3	-173.7	-59.7	-74	0	0	0	109.3	A651 F671 I690 I701 L716	A651-F673 HydrophobicContact CB-CE1 4.19Å; F671-F673 HydrophobicContact CB-CE2 3.97Å; F671-F673 HydrophobicContact CB-CZ 3.78Å; F671-F673 HydrophobicContact CD1-CZ 4.45Å; F673-I690 HydrophobicContact CB-CB 4.19Å; F673-I690 PolarHBondContact N-O 2.79Å; F673-I690 PolarHBondContact O-N 2.81Å; F673-I701 HydrophobicContact CD1-CD1 4.45Å; F673-I701 HydrophobicContact CD1-CG1 4.16Å; F673-I701 HydrophobicContact CD1-CG2 4.41Å; F673-I701 HydrophobicContact CE1-CB 4.29Å; F673-I701 HydrophobicContact CE1-CD1 3.28Å; F673-I701 HydrophobicContact CE1-CG1 3.27Å; F673-I701 HydrophobicContact CE1-CG2 4.28Å; F673-I701 HydrophobicContact CZ-CD1 3.6Å; F673-I701 HydrophobicContact CZ-CG1 3.62Å; F673-L716 HydrophobicContact CD1-CD2 4.03Å; F673-L716 HydrophobicContact CD2-CD1 3.75Å; F673-L716 HydrophobicContact CD2-CD2 3.69Å; F673-L716 HydrophobicContact CD2-CG 4.31Å; F673-L716 HydrophobicContact CE1-CD2 3.61Å; F673-L716 HydrophobicContact CE2-CD1 3.24Å; F673-L716 HydrophobicContact CE2-CD2 3.18Å; F673-L716 HydrophobicContact CE2-CG 3.83Å; F673-L716 HydrophobicContact CG-CD2 4.09Å; F673-L716 HydrophobicContact CZ-CD1 4.01Å; F673-L716 HydrophobicContact CZ-CD2 3.13Å; F673-L716 HydrophobicContact CZ-CG 4.17Å
674	D	57	Low	46.9	Very low	1 Å²	1	67.7 Å²	67.7	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.7	176.4	-71.5	-18.8	0	0	0	108	L631 T650 Y676 K687 H689	L631-D674 WeakPolarHBondContact CD1-OD1 3.34Å; L631-D674 WeakPolarHBondContact CD1-OD2 3.16Å; T650-D674 PolarHBondContact N-O 3.27Å; T650-D674 PolarHBondContact OG1-O 2.69Å; D674-Y676 HydrophobicContact CB-CD2 3.98Å; D674-Y676 HydrophobicContact CB-CE2 3.25Å; D674-Y676 PolarHBondContact OD2-OH 2.75Å; D674-K687 HydrophobicContact CB-CD 4.33Å; D674-K687 HydrophobicContact CB-CG 4.43Å; D674-K687 WeakPolarHBondContact OD1-CE 3.4Å; D674-K687 IonicContact OD1-NZ 2.75Å; D674-K687 PolarHBondContact OD1-NZ 3.25Å; D674-K687 WeakPolarHBondContact OD2-CE 3.09Å; D674-K687 IonicContact OD2-NZ 2.71Å; D674-K687 PolarHBondContact OD2-NZ 3.06Å; D674-H689 IonicContact OD1-CE1 3.5Å; D674-H689 PolarHBondContact OD1-CE1 2.82Å; D674-H689 IonicContact OD1-CG 3.67Å; D674-H689 IonicContact OD1-ND1 3.63Å; D674-H689 PolarHBondContact OD1-ND1 2.76Å
675	I	56.6	Low	48.5	Very low	7 Å²	7	63.3 Å²	63.3	4%	0.036	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.1	169.3	-57.5	140.9	0	0	0	106.5	L649 N677 K687 T688 I690 L727	L649-I675 HydrophobicContact CD1-CB 4.26Å; L649-I675 HydrophobicContact CD1-CD1 4.33Å; L649-I675 HydrophobicContact CD1-CG1 3.24Å; I675-N677 WeakPolarHBondContact CG2-OD1 3.29Å; I675-K687 CarbonylContact O-C 3.6Å; I675-K687 VanDerWaalsContact O-CA 3.31Å; I675-K687 WeakPolarHBondContact O-CA 3.38Å; I675-T688 PolarHBondContact N-O 2.79Å; I675-T688 PolarHBondContact O-N 2.94Å; I675-I690 HydrophobicContact CD1-CD1 3.41Å; I675-I690 VanDerWaalsContact CD1-CD1 3.41Å; I675-I690 HydrophobicContact CD1-CG1 4.12Å; I675-I690 HydrophobicContact CG1-CD1 4.42Å; I675-L727 HydrophobicContact CD1-CD1 3.23Å; I675-L727 HydrophobicContact CD1-CD2 3.27Å; I675-L727 HydrophobicContact CD1-CG 3.79Å; I675-L727 HydrophobicContact CG1-CD1 3.91Å
676	Y	59.9	Low	50	Low	8 Å²	8	61.5 Å²	61.5	3%	0.031	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115	175.6	-64.1	-88.3	0	0	0	108	F627 Y628 T629 N647 L648 T650 D674 W685 K687	F627-Y676 AromaticContact CD2-CD1 3.74Å; F627-Y676 HydrophobicContact CD2-CD1 3.74Å; F627-Y676 HydrophobicContact CD2-CD2 4.06Å; F627-Y676 AromaticContact CD2-CE1 3.49Å; F627-Y676 HydrophobicContact CD2-CE1 3.49Å; F627-Y676 VanDerWaalsContact CD2-CE1 3.49Å; F627-Y676 AromaticContact CD2-CE2 3.83Å; F627-Y676 HydrophobicContact CD2-CE2 3.83Å; F627-Y676 AromaticContact CD2-CG 4Å; F627-Y676 HydrophobicContact CD2-CG 4Å; F627-Y676 AromaticContact CD2-CZ 3.53Å; F627-Y676 HydrophobicContact CE2-CD1 4.1Å; F627-Y676 AromaticContact CE2-CD2 3.54Å; F627-Y676 HydrophobicContact CE2-CD2 3.54Å; F627-Y676 AromaticContact CE2-CE1 3.95Å; F627-Y676 HydrophobicContact CE2-CE1 3.95Å; F627-Y676 AromaticContact CE2-CE2 3.37Å; F627-Y676 HydrophobicContact CE2-CE2 3.37Å; F627-Y676 AromaticContact CE2-CG 3.89Å; F627-Y676 HydrophobicContact CE2-CG 3.89Å; F627-Y676 AromaticContact CE2-CZ 3.58Å; F627-Y676 HydrophobicContact CG-CD1 4.3Å; F627-Y676 HydrophobicContact CG-CE1 4.35Å; F627-Y676 HydrophobicContact CZ-CD2 4.12Å; F627-Y676 HydrophobicContact CZ-CE2 4.32Å; F627-Y676 HydrophobicContact CZ-CG 4.42Å; Y628-Y676 PolarHBondContact O-OH 2.86Å; T629-Y676 WeakPolarHBondContact CA-OH 3.37Å; T629-Y676 HydrophobicContact CG2-CE2 4.39Å; N647-Y676 CarbonylContact C-O 3.51Å; N647-Y676 WeakPolarHBondContact CA-O 3.49Å; L648-Y676 PolarHBondContact N-O 2.83Å; L648-Y676 PolarHBondContact O-N 3.02Å; T650-Y676 HydrophobicContact CG2-CD2 4.18Å; T650-Y676 HydrophobicContact CG2-CE2 4.28Å; T650-Y676 WeakPolarHBondContact OG1-CE2 3.21Å; D674-Y676 HydrophobicContact CB-CD2 3.98Å; D674-Y676 HydrophobicContact CB-CE2 3.25Å; D674-Y676 PolarHBondContact OD2-OH 2.75Å; Y676-W685 HydrophobicContact CD1-CB 4.1Å; Y676-W685 VanDerWaalsContact O-CZ3 3.3Å; Y676-W685 WeakPolarHBondContact O-CZ3 3.49Å; Y676-K687 HydrophobicContact CD1-CB 4.08Å; Y676-K687 HydrophobicContact CD1-CG 4.48Å; Y676-K687 HydrophobicContact CE1-CB 4.02Å; Y676-K687 HydrophobicContact CE1-CD 3.95Å; Y676-K687 HydrophobicContact CE1-CG 4.14Å
677	N	55.9	Low	51.6	Low	44 Å²	44	58.3 Å²	58.3	24%	0.235	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.1	172.7	-64.2	-22	0	0	0	108	N647 I675 D679 W685 K686	N647-N677 WeakPolarHBondContact CB-OD1 3Å; N647-N677 PolarHBondContact OD1-OD1 2.81Å; I675-N677 WeakPolarHBondContact CG2-OD1 3.29Å; N677-D679 PolarHBondContact O-N 3Å; N677-W685 CarbonylContact O-C 3.56Å; N677-W685 WeakPolarHBondContact O-CA 3.21Å; N677-K686 PolarHBondContact N-O 3.16Å; N677-K686 PolarHBondContact O-N 3.3Å
678	L	54.5	Low	52.7	Low	3 Å²	3	55.6 Å²	55.6	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	117.7	173.3	-173.6	64.8	0	0	0	108.5	L624 P625 I646 E680 W685	L624-L678 HydrophobicContact CD2-CD2 4.38Å; P625-L678 HydrophobicContact CG-CD1 4.21Å; I646-L678 HydrophobicContact CB-CB 4.02Å; I646-L678 HydrophobicContact CB-CD2 4.38Å; I646-L678 HydrophobicContact CD1-CD2 4.01Å; I646-L678 PolarHBondContact O-N 3.2Å; L678-E680 PolarHBondContact O-N 3.44Å; L678-W685 HydrophobicContact CB-CD2 4.05Å; L678-W685 HydrophobicContact CB-CE3 3.67Å; L678-W685 HydrophobicContact CB-CH2 4.02Å; L678-W685 HydrophobicContact CB-CZ2 4.32Å; L678-W685 HydrophobicContact CB-CZ3 3.69Å; L678-W685 HydrophobicContact CD1-CD2 3.97Å; L678-W685 HydrophobicContact CD1-CE3 4.46Å; L678-W685 HydrophobicContact CD1-CG 4.17Å; L678-W685 HydrophobicContact CD1-CZ2 4.45Å; L678-W685 HydrophobicContact CD2-CZ2 4.4Å
679	D	56.2	Low	53.7	Low	19 Å²	19	54.8 Å²	54.8	10%	0.102	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	108.8	167.2	-168.1	-29.4	0	0	0	108	N677 N681 Q682 L683 T684 K686	N677-D679 PolarHBondContact O-N 3Å; D679-N681 PolarHBondContact O-N 3.44Å; D679-N681 PolarHBondContact OD1-N 3.02Å; D679-Q682 HydrophobicContact CB-CB 4.33Å; D679-Q682 PolarHBondContact O-N 3.44Å; D679-L683 WeakPolarHBondContact O-CA 3.26Å; D679-L683 PolarHBondContact O-N 2.85Å; D679-T684 PolarHBondContact N-O 3.45Å; D679-K686 IonicContact OD2-NZ 2.84Å; D679-K686 PolarHBondContact OD2-NZ 2.91Å
680	E	54	Low	54.3	Low	90 Å²	90	51.6 Å²	51.6	42%	0.421	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31	-177.6	-72.3	-164.6	157.1	0	0	112.6	L678	L678-E680 PolarHBondContact O-N 3.44Å
681	N	52.5	Low	54.5	Low	155 Å²	155	48.7 Å²	48.7	83%	0.829	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-36.3	-178	-64.9	-39.8	0	0	0	112.4	D679	D679-N681 PolarHBondContact O-N 3.44Å; D679-N681 PolarHBondContact OD1-N 3.02Å
682	Q	56.2	Low	54.5	Low	123 Å²	123	48.1 Å²	48.1	58%	0.575	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-14.3	-177.8	-62.8	-169.2	2.4	0	0	113.1	D679 T684	D679-Q682 HydrophobicContact CB-CB 4.33Å; D679-Q682 PolarHBondContact O-N 3.44Å; Q682-T684 HydrophobicContact CB-CG2 4.32Å; Q682-T684 VanDerWaalsContact CB-OG1 3.29Å; Q682-T684 WeakPolarHBondContact CB-OG1 3.16Å; Q682-T684 PolarHBondContact O-N 3.02Å; Q682-T684 PolarHBondContact OE1-OG1 3.46Å
683	L	54.9	Low	54.2	Low	107 Å²	107	52.3 Å²	52.3	56%	0.56	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	31.2	-170.2	-70.6	162.5	0	0	0	112.4	P625 D679	P625-L683 HydrophobicContact CG-CB 4.07Å; P625-L683 HydrophobicContact CG-CD2 4.05Å; P625-L683 WeakPolarHBondContact CG-O 3.3Å; D679-L683 WeakPolarHBondContact O-CA 3.26Å; D679-L683 PolarHBondContact O-N 2.85Å
684	T	55.4	Low	53.9	Low	63 Å²	63	58.3 Å²	58.3	39%	0.387	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.2	178.5	54	0	0	0	0	110	D679 Q682 K686	D679-T684 PolarHBondContact N-O 3.45Å; Q682-T684 HydrophobicContact CB-CG2 4.32Å; Q682-T684 VanDerWaalsContact CB-OG1 3.29Å; Q682-T684 WeakPolarHBondContact CB-OG1 3.16Å; Q682-T684 PolarHBondContact O-N 3.02Å; Q682-T684 PolarHBondContact OE1-OG1 3.46Å; T684-K686 PolarHBondContact O-N 3.36Å
685	W	62.1	Low	53.4	Low	36 Å²	36	63 Å²	63	14%	0.136	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.3	173.1	-67.3	98.2	0	0	0	109.4	I615 P625 F627 I646 L648 Y676 N677 L678	I615-W685 HydrophobicContact CD1-CH2 3.8Å; I615-W685 HydrophobicContact CD1-CZ2 3.73Å; P625-W685 PolarHBondContact O-NE1 3.16Å; F627-W685 HydrophobicContact CB-CG 4.18Å; F627-W685 HydrophobicContact CD1-CD2 4.19Å; F627-W685 AromaticContact CD1-CE2 3.72Å; F627-W685 HydrophobicContact CD1-CG 4.33Å; F627-W685 HydrophobicContact CD1-CZ2 4.11Å; F627-W685 AromaticContact CD1-NE1 3.61Å; F627-W685 HydrophobicContact CE1-CZ2 4.25Å; F627-W685 HydrophobicContact CG-CG 4.36Å; I646-W685 HydrophobicContact CG2-CH2 4.11Å; I646-W685 HydrophobicContact CG2-CZ3 4.48Å; L648-W685 HydrophobicContact CB-CH2 3.84Å; L648-W685 HydrophobicContact CB-CZ3 3.69Å; L648-W685 HydrophobicContact CD2-CH2 4.34Å; Y676-W685 HydrophobicContact CD1-CB 4.1Å; Y676-W685 VanDerWaalsContact O-CZ3 3.3Å; Y676-W685 WeakPolarHBondContact O-CZ3 3.49Å; N677-W685 CarbonylContact O-C 3.56Å; N677-W685 WeakPolarHBondContact O-CA 3.21Å; L678-W685 HydrophobicContact CB-CD2 4.05Å; L678-W685 HydrophobicContact CB-CE3 3.67Å; L678-W685 HydrophobicContact CB-CH2 4.02Å; L678-W685 HydrophobicContact CB-CZ2 4.32Å; L678-W685 HydrophobicContact CB-CZ3 3.69Å; L678-W685 HydrophobicContact CD1-CD2 3.97Å; L678-W685 HydrophobicContact CD1-CE3 4.46Å; L678-W685 HydrophobicContact CD1-CG 4.17Å; L678-W685 HydrophobicContact CD1-CZ2 4.45Å; L678-W685 HydrophobicContact CD2-CZ2 4.4Å
686	K	57.4	Low	52.9	Low	108 Å²	108	63.8 Å²	63.8	47%	0.47	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.7	166.7	-71.2	177.7	-177.8	158	0	108.4	N677 D679 T684	N677-K686 PolarHBondContact N-O 3.16Å; N677-K686 PolarHBondContact O-N 3.3Å; D679-K686 IonicContact OD2-NZ 2.84Å; D679-K686 PolarHBondContact OD2-NZ 2.91Å; T684-K686 PolarHBondContact O-N 3.36Å
687	K	59.7	Low	52.4	Low	63 Å²	63	67.9 Å²	67.9	27%	0.274	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.2	179.9	173.6	175.6	154	163.7	0	110.5	E630 D674 I675 Y676	E630-K687 IonicContact OE2-NZ 2.77Å; E630-K687 PolarHBondContact OE2-NZ 3.42Å; D674-K687 HydrophobicContact CB-CD 4.33Å; D674-K687 HydrophobicContact CB-CG 4.43Å; D674-K687 WeakPolarHBondContact OD1-CE 3.4Å; D674-K687 IonicContact OD1-NZ 2.75Å; D674-K687 PolarHBondContact OD1-NZ 3.25Å; D674-K687 WeakPolarHBondContact OD2-CE 3.09Å; D674-K687 IonicContact OD2-NZ 2.71Å; D674-K687 PolarHBondContact OD2-NZ 3.06Å; I675-K687 CarbonylContact O-C 3.6Å; I675-K687 VanDerWaalsContact O-CA 3.31Å; I675-K687 WeakPolarHBondContact O-CA 3.38Å; Y676-K687 HydrophobicContact CD1-CB 4.08Å; Y676-K687 HydrophobicContact CD1-CG 4.48Å; Y676-K687 HydrophobicContact CE1-CB 4.02Å; Y676-K687 HydrophobicContact CE1-CD 3.95Å; Y676-K687 HydrophobicContact CE1-CG 4.14Å
688	T	54.9	Low	52.2	Low	47 Å²	47	65.9 Å²	65.9	29%	0.288	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.9	161.8	-48.7	0	0	0	0	107.6	I675	I675-T688 PolarHBondContact N-O 2.79Å; I675-T688 PolarHBondContact O-N 2.94Å
689	H	55.1	Low	52	Low	75 Å²	75	70.7 Å²	70.7	35%	0.347	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.4	-178.8	-168.9	31.3	0	0	0	110.4	L631 D674 V691	L631-H689 WeakPolarHBondContact CD1-CE1 3.33Å; D674-H689 IonicContact OD1-CE1 3.5Å; D674-H689 PolarHBondContact OD1-CE1 2.82Å; D674-H689 IonicContact OD1-CG 3.67Å; D674-H689 IonicContact OD1-ND1 3.63Å; D674-H689 PolarHBondContact OD1-ND1 2.76Å; H689-V691 VanDerWaalsContact CD2-CG2 3.4Å; H689-V691 WeakPolarHBondContact CD2-CG2 3.42Å; H689-V691 VanDerWaalsContact CE1-CG2 3.45Å; H689-V691 WeakPolarHBondContact CE1-CG2 3.38Å; H689-V691 WeakPolarHBondContact NE2-CG2 3.21Å
690	I	50.7	Low	51.7	Low	1 Å²	1	71.2 Å²	71.2	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	104.2	173.7	-56	175.9	0	0	0	108.1	F673 I675 Y725 L727 F760	F673-I690 HydrophobicContact CB-CB 4.19Å; F673-I690 PolarHBondContact N-O 2.79Å; F673-I690 PolarHBondContact O-N 2.81Å; I675-I690 HydrophobicContact CD1-CD1 3.41Å; I675-I690 VanDerWaalsContact CD1-CD1 3.41Å; I675-I690 HydrophobicContact CD1-CG1 4.12Å; I675-I690 HydrophobicContact CG1-CD1 4.42Å; I690-Y725 HydrophobicContact CG2-CD1 4Å; I690-Y725 HydrophobicContact CG2-CE1 3.86Å; I690-Y725 HydrophobicContact CG2-CG 4.36Å; I690-L727 HydrophobicContact CD1-CD2 4.48Å; I690-F760 HydrophobicContact CB-CE1 4.15Å; I690-F760 HydrophobicContact CD1-CE1 3.6Å; I690-F760 HydrophobicContact CD1-CZ 3.59Å; I690-F760 HydrophobicContact CG1-CD1 4.39Å; I690-F760 HydrophobicContact CG1-CE1 3.52Å; I690-F760 HydrophobicContact CG1-CZ 3.72Å; I690-F760 HydrophobicContact CG2-CD1 4.11Å; I690-F760 HydrophobicContact CG2-CE1 3.64Å
691	V	47	Very low	51.7	Low	40 Å²	40	67.7 Å²	67.7	24%	0.242	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.3	170.2	-175.4	0	0	0	0	108.7	T672 H689 K693 L757	T672-V691 HydrophobicContact CG2-CG1 4.27Å; T672-V691 HydrophobicContact CG2-CG2 4.2Å; H689-V691 VanDerWaalsContact CD2-CG2 3.4Å; H689-V691 WeakPolarHBondContact CD2-CG2 3.42Å; H689-V691 VanDerWaalsContact CE1-CG2 3.45Å; H689-V691 WeakPolarHBondContact CE1-CG2 3.38Å; H689-V691 WeakPolarHBondContact NE2-CG2 3.21Å; V691-K693 PolarHBondContact O-N 2.9Å; V691-L757 HydrophobicContact CB-CD1 4.41Å
692	G	44.2	Very low	51.7	Low	13 Å²	13	62.1 Å²	62.1	13%	0.134	31%	0.31	C	S	.	.			trans	-66.7	117.6	164.3	0	0	0	0	0	109.7	K694	G692-K694 PolarHBondContact O-N 2.93Å
693	K	42.1	Very low	51.5	Low	94 Å²	94	58.1 Å²	58.1	41%	0.409	29%	0.292	S	S	.	.			trans	-64.5	-22.3	170.4	-82	-173.5	179.4	177.5	0	112.3	V691 D754 L757 D758	V691-K693 PolarHBondContact O-N 2.9Å; K693-D754 IonicContact NZ-OD1 2.69Å; K693-L757 HydrophobicContact CD-CD2 4.48Å; K693-L757 HydrophobicContact CG-CD2 4.24Å; K693-D758 IonicContact NZ-OD1 3.03Å; K693-D758 PolarHBondContact NZ-OD1 3.45Å; K693-D758 IonicContact NZ-OD2 2.74Å
694	K	44.9	Very low	51.3	Low	128 Å²	128	53.1 Å²	53.1	56%	0.557	27%	0.266	S	S	*	.	S	Bend	trans	-81.9	137.7	-177.4	-75.7	178.4	176.2	166.2	0	111.7	G692 F696	G692-K694 PolarHBondContact O-N 2.93Å; K694-F696 PolarHBondContact O-N 3.4Å
695	N	47.3	Very low	51	Low	100 Å²	100	52.9 Å²	52.9	54%	0.535	27%	0.265	S	S	.	.			trans	-64.6	81.4	168.7	-74.9	-15.6	0	0	0	109.2
696	F	45.5	Very low	50.3	Low	22 Å²	22	52.5 Å²	52.5	10%	0.096	27%	0.266	C	S	.	.			trans	-113.8	122.7	-175.8	-167.9	-108.4	0	0	0	110.1	K694 C698 L716 S718 D721 L723	K694-F696 PolarHBondContact O-N 3.4Å; F696-C698 HydrophobicContact CD1-CB 4.35Å; F696-C698 PolarHBondContact O-N 2.99Å; F696-L716 HydrophobicContact CD1-CB 4.47Å; F696-L716 HydrophobicContact CE1-CB 4.06Å; F696-S718 VanDerWaalsContact CE2-CB 3.42Å; F696-S718 WeakPolarHBondContact CE2-OG 3.3Å; F696-S718 VanDerWaalsContact CZ-N 3.32Å; F696-S718 WeakPolarHBondContact CZ-OG 3.42Å; F696-D721 HydrophobicContact CE2-CB 3.53Å; F696-D721 WeakPolarHBondContact CE2-OD2 3.42Å; F696-D721 HydrophobicContact CZ-CB 4.01Å; F696-D721 VanDerWaalsContact CZ-O 3.28Å; F696-D721 WeakPolarHBondContact CZ-O 3.32Å; F696-L723 HydrophobicContact CB-CD1 4.15Å; F696-L723 HydrophobicContact CD1-CD1 3.63Å; F696-L723 HydrophobicContact CD2-CD1 4.11Å; F696-L723 HydrophobicContact CE1-CD1 3.91Å; F696-L723 HydrophobicContact CE1-CG 4.49Å; F696-L723 HydrophobicContact CE2-CD1 4.42Å; F696-L723 HydrophobicContact CG-CD1 3.67Å; F696-L723 HydrophobicContact CZ-CD1 4.24Å; F696-L723 HydrophobicContact CZ-CG 4.49Å
697	H	50.3	Low	49.6	Very low	94 Å²	94	50.6 Å²	50.6	44%	0.435	26%	0.261	S	S	.	.			trans	-83.5	91.5	173.8	-170.4	54.5	0	0	0	108.9	S718	H697-S718 WeakPolarHBondContact O-CB 3.13Å
698	C	50.4	Low	48.9	Very low	2 Å²	2	54.6 Å²	54.6	1%	0.014	29%	0.285	C	S	.	.			trans	-69.8	130.4	173.2	-159.1	0	0	0	0	109.7	F671 F696 A700 I701	F671-C698 HydrophobicContact CB-CB 3.89Å; F671-C698 HydrophobicContact CD1-CB 4.06Å; F671-C698 HydrophobicContact CD2-CB 3.55Å; F671-C698 HydrophobicContact CE1-CB 4.42Å; F671-C698 HydrophobicContact CE2-CB 3.97Å; F671-C698 WeakPolarHBondContact CE2-O 3.41Å; F671-C698 HydrophobicContact CG-CB 3.57Å; F671-C698 HydrophobicContact CZ-CB 4.36Å; F671-C698 WeakPolarHBondContact CZ-O 3.45Å; F696-C698 HydrophobicContact CD1-CB 4.35Å; F696-C698 PolarHBondContact O-N 2.99Å; C698-A700 PolarHBondContact SG-O 3.41Å; C698-I701 HydrophobicContact CB-CD1 4.49Å; C698-I701 WeakPolarHBondContact SG-CD1 3.46Å; C698-I701 VanDerWaalsContact SG-CG1 3.55Å
699	Q	50.8	Low	48.3	Very low	104 Å²	104	58.5 Å²	58.5	49%	0.486	31%	0.305	S	S	.	.			trans	-108.4	-34.7	178.2	-80.5	179.2	-30.2	0	0	111.4	V717 L777	Q699-V717 PolarHBondContact N-O 3.21Å; Q699-L777 HydrophobicContact CB-CD1 3.14Å; Q699-L777 HydrophobicContact CG-CD1 4.22Å
700	A	51.4	Low	47.6	Very low	30 Å²	30	57.7 Å²	57.7	25%	0.248	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158	169.4	0	0	0	0	0	111.2	C698 V717 L777	C698-A700 PolarHBondContact SG-O 3.41Å; A700-V717 PolarHBondContact N-O 2.82Å; A700-V717 PolarHBondContact O-N 3.46Å; A700-L777 HydrophobicContact CB-CB 4.42Å; A700-L777 HydrophobicContact CB-CD1 4.27Å; A700-L777 HydrophobicContact CB-CD2 3.6Å; A700-L777 HydrophobicContact CB-CG 4.33Å
701	I	52.3	Low	47.5	Very low	17 Å²	17	59 Å²	59	9%	0.087	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.6	175.5	-66.6	102.5	0	0	0	108.7	L649 A651 F673 C698 V714 C715 L716	L649-I701 HydrophobicContact CD2-CG2 4.3Å; A651-I701 HydrophobicContact CB-CB 4.11Å; A651-I701 HydrophobicContact CB-CD1 3.75Å; A651-I701 HydrophobicContact CB-CG1 4.3Å; A651-I701 HydrophobicContact CB-CG2 4.43Å; F673-I701 HydrophobicContact CD1-CD1 4.45Å; F673-I701 HydrophobicContact CD1-CG1 4.16Å; F673-I701 HydrophobicContact CD1-CG2 4.41Å; F673-I701 HydrophobicContact CE1-CB 4.29Å; F673-I701 HydrophobicContact CE1-CD1 3.28Å; F673-I701 HydrophobicContact CE1-CG1 3.27Å; F673-I701 HydrophobicContact CE1-CG2 4.28Å; F673-I701 HydrophobicContact CZ-CD1 3.6Å; F673-I701 HydrophobicContact CZ-CG1 3.62Å; C698-I701 HydrophobicContact CB-CD1 4.49Å; C698-I701 WeakPolarHBondContact SG-CD1 3.46Å; C698-I701 VanDerWaalsContact SG-CG1 3.55Å; I701-V714 HydrophobicContact CG2-CG1 3.73Å; I701-C715 VanDerWaalsContact CA-O 3.31Å; I701-C715 WeakPolarHBondContact CA-O 3.44Å; I701-L716 HydrophobicContact CB-CD2 4.34Å; I701-L716 HydrophobicContact CD1-CD2 4.4Å; I701-L716 HydrophobicContact CG1-CD2 3.35Å; I701-L716 HydrophobicContact CG2-CD2 4.18Å
702	T	52.3	Low	47.6	Very low	37 Å²	37	57.5 Å²	57.5	23%	0.227	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.9	171.3	-48.4	0	0	0	0	111.2	C715 V782	T702-C715 PolarHBondContact N-O 2.82Å; T702-C715 VanDerWaalsContact N-O 3.15Å; T702-C715 PolarHBondContact O-N 3.24Å; T702-V782 HydrophobicContact CG2-CB 3.48Å; T702-V782 VanDerWaalsContact CG2-CB 3.48Å; T702-V782 HydrophobicContact CG2-CG1 3.89Å; T702-V782 HydrophobicContact CG2-CG2 3.71Å; T702-V782 WeakPolarHBondContact OG1-CG2 3.36Å
703	I	53.9	Low	48.1	Very low	40 Å²	40	56.9 Å²	56.9	21%	0.205	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129.3	175.1	-60.7	176.9	0	0	0	108	L649 T705 V712	L649-I703 HydrophobicContact CB-CD1 3.43Å; L649-I703 VanDerWaalsContact CB-CD1 3.43Å; L649-I703 HydrophobicContact CB-CG1 4.07Å; L649-I703 HydrophobicContact CD2-CD1 3.7Å; L649-I703 HydrophobicContact CD2-CG1 3.31Å; L649-I703 HydrophobicContact CG-CD1 4.15Å; L649-I703 HydrophobicContact CG-CG1 4.29Å; I703-T705 HydrophobicContact CG2-CG2 4.23Å; I703-V712 HydrophobicContact CB-CG1 4.19Å; I703-V712 HydrophobicContact CG1-CG1 4.16Å; I703-V712 HydrophobicContact CG2-CB 4.03Å; I703-V712 HydrophobicContact CG2-CG1 3.43Å; I703-V712 VanDerWaalsContact CG2-CG1 3.43Å; I703-V712 HydrophobicContact CG2-CG2 3.69Å
704	L	50.1	Low	48.6	Very low	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	106.2	166.9	-63.6	171.6	0	0	0	109.3	V712 V713 V782 L784 L804	L704-V712 CarbonylContact O-C 3.34Å; L704-V712 WeakPolarHBondContact O-CA 3.39Å; L704-V713 HydrophobicContact CB-CB 4.12Å; L704-V713 PolarHBondContact N-O 2.79Å; L704-V713 PolarHBondContact O-N 2.81Å; L704-V782 HydrophobicContact CD1-CG1 3.73Å; L704-V782 HydrophobicContact CD2-CB 4.31Å; L704-V782 HydrophobicContact CD2-CG1 3.21Å; L704-V782 HydrophobicContact CG-CG1 3.71Å; L704-L784 HydrophobicContact CB-CD1 4.14Å; L704-L784 HydrophobicContact CB-CD2 4.2Å; L704-L784 HydrophobicContact CB-CG 4.18Å; L704-L784 HydrophobicContact CD2-CD1 3.86Å; L704-L784 HydrophobicContact CD2-CG 3.79Å; L704-L804 HydrophobicContact CD1-CB 4.02Å
705	T	48.8	Very low	49.2	Very low	58 Å²	58	46.3 Å²	46.3	36%	0.356	25%	0.246	S	C	.	.			trans	-80.9	113.1	168.8	43.9	0	0	0	0	109.2	I703 V712 L784	I703-T705 HydrophobicContact CG2-CG2 4.23Å; T705-V712 HydrophobicContact CG2-CG2 3.91Å; T705-L784 WeakPolarHBondContact O-CD1 3.35Å; T705-L784 WeakPolarHBondContact O-CD2 3.03Å
706	V	47.2	Very low	49.6	Very low	27 Å²	27	41.9 Å²	41.9	16%	0.164	22%	0.222	C	C	.	.			trans	-78.2	-36	-169	-168.2	0	0	0	0	112.2	F710 V713 L784 L804 Y839	V706-F710 HydrophobicContact CB-CB 4.25Å; V706-V713 HydrophobicContact CG2-CG2 3.91Å; V706-L784 HydrophobicContact CG2-CD2 4.48Å; V706-L804 HydrophobicContact CB-CD2 4.03Å; V706-L804 HydrophobicContact CG1-CD2 3.6Å; V706-L804 HydrophobicContact CG2-CD2 3.24Å; V706-Y839 HydrophobicContact CB-CE1 4.34Å; V706-Y839 HydrophobicContact CG1-CD1 3.49Å; V706-Y839 VanDerWaalsContact CG1-CD1 3.49Å; V706-Y839 HydrophobicContact CG1-CE1 3.05Å; V706-Y839 HydrophobicContact CG1-CG 4.5Å
707	D	43.3	Very low	50.1	Low	68 Å²	68	40.9 Å²	40.9	36%	0.364	22%	0.218	S	C	.	.	S	Bend	trans	-162.6	-177.1	171.1	55.8	49.7	0	0	0	109.5	N709 F710	D707-N709 PolarHBondContact O-N 3.33Å; D707-N709 WeakPolarHBondContact OD1-CA 3.45Å; D707-N709 WeakPolarHBondContact OD1-CB 3.49Å; D707-N709 PolarHBondContact OD1-N 3.2Å; D707-F710 WeakPolarHBondContact OD1-CB 3.48Å; D707-F710 PolarHBondContact OD1-N 2.69Å; D707-F710 WeakPolarHBondContact OD2-CD2 3.38Å
708	D	44.5	Very low	50.5	Low	147 Å²	147	36.8 Å²	36.8	79%	0.786	20%	0.2	S	C	*	.	S	Bend	trans	-62.5	-16.3	178.4	-75.6	-18.9	0	0	0	113.8
709	N	42	Very low	50.9	Low	129 Å²	129	38.7 Å²	38.7	69%	0.69	21%	0.213	S	C	*	.	S	Bend	trans	-115	-23.6	-170.3	-64.5	-35	0	0	0	114	D707	D707-N709 PolarHBondContact O-N 3.33Å; D707-N709 WeakPolarHBondContact OD1-CA 3.45Å; D707-N709 WeakPolarHBondContact OD1-CB 3.49Å; D707-N709 PolarHBondContact OD1-N 3.2Å
710	F	41.5	Very low	51.2	Low	58 Å²	58	37.5 Å²	37.5	25%	0.254	21%	0.207	S	C	.	.	S	Bend	trans	-105	120.9	-179	-88.2	-87.7	0	0	0	110.4	V706 D707	V706-F710 HydrophobicContact CB-CB 4.25Å; D707-F710 WeakPolarHBondContact OD1-CB 3.48Å; D707-F710 PolarHBondContact OD1-N 2.69Å; D707-F710 WeakPolarHBondContact OD2-CD2 3.38Å
711	N	48.3	Very low	51.6	Low	28 Å²	28	38.1 Å²	38.1	15%	0.15	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	139.6	-175.3	-47.1	-71	0	0	0	112.3	V713 L727 H729	N711-V713 PolarHBondContact O-N 2.82Å; N711-L727 HydrophobicContact CB-CB 3.65Å; N711-L727 WeakPolarHBondContact CB-O 3.01Å; N711-L727 PolarHBondContact ND2-O 3.29Å; N711-H729 VanDerWaalsContact ND2-CA 3.26Å; N711-H729 WeakPolarHBondContact ND2-CA 3.5Å; N711-H729 WeakPolarHBondContact ND2-CB 3.41Å; N711-H729 PolarHBondContact ND2-CD2 2.96Å; N711-H729 VanDerWaalsContact ND2-CD2 3.3Å; N711-H729 PolarHBondContact ND2-N 2.92Å; N711-H729 PolarHBondContact OD1-CD2 3.33Å; N711-H729 PolarHBondContact OD1-NE2 2.89Å
712	V	49.2	Very low	52	Low	9 Å²	9	37.3 Å²	37.3	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	18	98.2	148.1	-179.8	0	0	0	0	115	I703 L704 T705 V714 L727	I703-V712 HydrophobicContact CB-CG1 4.19Å; I703-V712 HydrophobicContact CG1-CG1 4.16Å; I703-V712 HydrophobicContact CG2-CB 4.03Å; I703-V712 HydrophobicContact CG2-CG1 3.43Å; I703-V712 VanDerWaalsContact CG2-CG1 3.43Å; I703-V712 HydrophobicContact CG2-CG2 3.69Å; L704-V712 CarbonylContact O-C 3.34Å; L704-V712 WeakPolarHBondContact O-CA 3.39Å; T705-V712 HydrophobicContact CG2-CG2 3.91Å; V712-V714 HydrophobicContact CG1-CG2 3.74Å; V712-V714 PolarHBondContact O-N 2.87Å; V712-L727 HydrophobicContact CB-CD1 3.87Å; V712-L727 HydrophobicContact CG1-CD1 4.02Å; V712-L727 WeakPolarHBondContact O-CD1 3.29Å
713	V	53.4	Low	52.4	Low	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	116.3	158	171.7	0	0	0	0	108.1	L704 V706 N711 I724 Y725 L804 F867	L704-V713 HydrophobicContact CB-CB 4.12Å; L704-V713 PolarHBondContact N-O 2.79Å; L704-V713 PolarHBondContact O-N 2.81Å; V706-V713 HydrophobicContact CG2-CG2 3.91Å; N711-V713 PolarHBondContact O-N 2.82Å; V713-I724 HydrophobicContact CG1-CB 4.49Å; V713-I724 HydrophobicContact CG1-CG2 3.36Å; V713-Y725 VanDerWaalsContact CA-O 3.27Å; V713-Y725 WeakPolarHBondContact CA-O 3.48Å; V713-L804 HydrophobicContact CG2-CD2 4.38Å; V713-F867 HydrophobicContact CG2-CZ 4.38Å
714	V	53.7	Low	52.9	Low	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	113.9	173.1	-173.9	0	0	0	0	108.8	L649 I701 V712 L716 I724 Y725 L727	L649-V714 HydrophobicContact CD1-CG2 3.99Å; L649-V714 HydrophobicContact CD2-CB 4.41Å; L649-V714 HydrophobicContact CD2-CG1 3.94Å; L649-V714 HydrophobicContact CD2-CG2 3.64Å; I701-V714 HydrophobicContact CG2-CG1 3.73Å; V712-V714 HydrophobicContact CG1-CG2 3.74Å; V712-V714 PolarHBondContact O-N 2.87Å; V714-L716 HydrophobicContact CG1-CD2 3.9Å; V714-I724 WeakPolarHBondContact O-CA 3.38Å; V714-Y725 PolarHBondContact N-O 3.39Å; V714-Y725 PolarHBondContact O-N 3.08Å; V714-Y725 VanDerWaalsContact O-N 3.09Å; V714-L727 HydrophobicContact CG2-CD1 4.38Å
715	C	56.9	Low	53.3	Low	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	112.2	175.4	-70.2	0	0	0	0	109.9	I701 T702 L722 L723 L802	I701-C715 VanDerWaalsContact CA-O 3.31Å; I701-C715 WeakPolarHBondContact CA-O 3.44Å; T702-C715 PolarHBondContact N-O 2.82Å; T702-C715 VanDerWaalsContact N-O 3.15Å; T702-C715 PolarHBondContact O-N 3.24Å; C715-L722 HydrophobicContact CB-CD1 4.02Å; C715-L723 CarbonylContact C-O 3.56Å; C715-L723 WeakPolarHBondContact CA-O 3.45Å; C715-L802 HydrophobicContact CB-CD1 4.15Å; C715-L802 HydrophobicContact CB-CD2 4.22Å
716	L	55.7	Low	53.7	Low	6 Å²	6	32 Å²	32	3%	0.031	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114.1	170.8	-50.7	-176.5	0	0	0	109.2	F673 F696 I701 V714 L722 L723 Y725	F673-L716 HydrophobicContact CD1-CD2 4.03Å; F673-L716 HydrophobicContact CD2-CD1 3.75Å; F673-L716 HydrophobicContact CD2-CD2 3.69Å; F673-L716 HydrophobicContact CD2-CG 4.31Å; F673-L716 HydrophobicContact CE1-CD2 3.61Å; F673-L716 HydrophobicContact CE2-CD1 3.24Å; F673-L716 HydrophobicContact CE2-CD2 3.18Å; F673-L716 HydrophobicContact CE2-CG 3.83Å; F673-L716 HydrophobicContact CG-CD2 4.09Å; F673-L716 HydrophobicContact CZ-CD1 4.01Å; F673-L716 HydrophobicContact CZ-CD2 3.13Å; F673-L716 HydrophobicContact CZ-CG 4.17Å; F696-L716 HydrophobicContact CD1-CB 4.47Å; F696-L716 HydrophobicContact CE1-CB 4.06Å; I701-L716 HydrophobicContact CB-CD2 4.34Å; I701-L716 HydrophobicContact CD1-CD2 4.4Å; I701-L716 HydrophobicContact CG1-CD2 3.35Å; I701-L716 HydrophobicContact CG2-CD2 4.18Å; V714-L716 HydrophobicContact CG1-CD2 3.9Å; L716-L722 CarbonylContact O-C 3.56Å; L716-L722 WeakPolarHBondContact O-CA 3.45Å; L716-L723 HydrophobicContact CB-CB 4.09Å; L716-L723 HydrophobicContact CD1-CB 4.35Å; L716-L723 HydrophobicContact CD1-CD1 4.22Å; L716-L723 HydrophobicContact CG-CB 4.41Å; L716-L723 PolarHBondContact N-O 3.49Å; L716-L723 PolarHBondContact O-N 3.01Å; L716-Y725 HydrophobicContact CD1-CD2 4.41Å; L716-Y725 HydrophobicContact CD1-CE2 3.57Å; L716-Y725 HydrophobicContact CG-CD2 4.42Å; L716-Y725 HydrophobicContact CG-CE2 3.99Å
717	V	55.7	Low	53.9	Low	1 Å²	1	31.7 Å²	31.7	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.7	-176.6	-158.4	0	0	0	0	109.1	Q699 A700 L722 I775 L777 L802	Q699-V717 PolarHBondContact N-O 3.21Å; A700-V717 PolarHBondContact N-O 2.82Å; A700-V717 PolarHBondContact O-N 3.46Å; V717-L722 HydrophobicContact CB-CD1 4.32Å; V717-L722 HydrophobicContact CG1-CD1 4.39Å; V717-L722 HydrophobicContact CG2-CD1 3.71Å; V717-I775 HydrophobicContact CG1-CB 3.75Å; V717-I775 HydrophobicContact CG1-CD1 3.47Å; V717-I775 VanDerWaalsContact CG1-CD1 3.47Å; V717-I775 HydrophobicContact CG1-CG1 4.17Å; V717-I775 HydrophobicContact CG1-CG2 3.55Å; V717-L777 HydrophobicContact CB-CD1 3.9Å; V717-L777 HydrophobicContact CB-CD2 3.46Å; V717-L777 VanDerWaalsContact CB-CD2 3.46Å; V717-L777 HydrophobicContact CB-CG 4.2Å; V717-L777 HydrophobicContact CG1-CD1 3.94Å; V717-L777 HydrophobicContact CG1-CD2 3.53Å; V717-L777 HydrophobicContact CG1-CG 4Å; V717-L777 HydrophobicContact CG2-CD2 3.84Å; V717-L802 HydrophobicContact CG2-CD1 3.46Å; V717-L802 VanDerWaalsContact CG2-CD1 3.46Å
718	S	59	Low	54.1	Low	8 Å²	8	33 Å²	33	6%	0.056	18%	0.175	C	C	.	.			trans	-98.4	173.1	156.7	71.8	0	0	0	0	108.6	F696 H697 K720 D721	F696-S718 VanDerWaalsContact CE2-CB 3.42Å; F696-S718 WeakPolarHBondContact CE2-OG 3.3Å; F696-S718 VanDerWaalsContact CZ-N 3.32Å; F696-S718 WeakPolarHBondContact CZ-OG 3.42Å; H697-S718 WeakPolarHBondContact O-CB 3.13Å; S718-K720 PolarHBondContact O-N 3.03Å; S718-K720 PolarHBondContact OG-N 3.15Å; S718-K720 VanDerWaalsContact OG-N 3.16Å; S718-D721 PolarHBondContact N-O 2.86Å; S718-D721 PolarHBondContact OG-N 3.16Å; S718-D721 PolarHBondContact OG-O 3.35Å
719	S	58.7	Low	53.9	Low	43 Å²	43	30.3 Å²	30.3	30%	0.301	16%	0.157	S	C	.	.	S	Bend	trans	-49	-28.5	170.5	69.4	0	0	0	0	113.6	V774 I775	S719-V774 CarbonylContact O-C 3.43Å; S719-V774 WeakPolarHBondContact O-CA 3.26Å; S719-V774 WeakPolarHBondContact O-CB 3.27Å; S719-V774 WeakPolarHBondContact O-CG1 3.15Å; S719-I775 PolarHBondContact O-N 3.5Å
720	K	57.9	Low	53.6	Low	79 Å²	79	30.6 Å²	30.6	34%	0.343	16%	0.155	S	C	.	.	S	Bend	trans	-129.4	-35.5	-175.2	-67.2	-171.5	-179.6	-177.2	0	115.9	S718 L769 N771 V774	S718-K720 PolarHBondContact O-N 3.03Å; S718-K720 PolarHBondContact OG-N 3.15Å; S718-K720 VanDerWaalsContact OG-N 3.16Å; K720-L769 VanDerWaalsContact O-CB 3.27Å; K720-L769 WeakPolarHBondContact O-CB 3.49Å; K720-L769 WeakPolarHBondContact O-CG 3.4Å; K720-L769 PolarHBondContact O-N 2.87Å; K720-N771 WeakPolarHBondContact CE-OD1 2.98Å; K720-N771 PolarHBondContact NZ-OD1 2.75Å; K720-V774 HydrophobicContact CG-CG2 4.39Å
721	D	58.8	Low	53.2	Low	42 Å²	42	32.9 Å²	32.9	23%	0.225	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	158.9	174.1	-28.4	-72.7	0	0	0	111.5	F696 S718 I767 S768	F696-D721 HydrophobicContact CE2-CB 3.53Å; F696-D721 WeakPolarHBondContact CE2-OD2 3.42Å; F696-D721 HydrophobicContact CZ-CB 4.01Å; F696-D721 VanDerWaalsContact CZ-O 3.28Å; F696-D721 WeakPolarHBondContact CZ-O 3.32Å; S718-D721 PolarHBondContact N-O 2.86Å; S718-D721 PolarHBondContact OG-N 3.16Å; S718-D721 PolarHBondContact OG-O 3.35Å; D721-I767 CarbonylContact C-O 3.56Å; D721-I767 VanDerWaalsContact CA-O 3.29Å; D721-I767 WeakPolarHBondContact CA-O 3.49Å; D721-S768 WeakPolarHBondContact OD1-CA 3.37Å; D721-S768 WeakPolarHBondContact OD1-CB 2.97Å; D721-S768 PolarHBondContact OD1-OG 3.16Å
722	L	62.1	Low	52.4	Low	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.6	171.1	175.9	79.4	0	0	0	108.1	C715 L716 V717 I724 Q766 I767 I775 L802 L841 I843	C715-L722 HydrophobicContact CB-CD1 4.02Å; L716-L722 CarbonylContact O-C 3.56Å; L716-L722 WeakPolarHBondContact O-CA 3.45Å; V717-L722 HydrophobicContact CB-CD1 4.32Å; V717-L722 HydrophobicContact CG1-CD1 4.39Å; V717-L722 HydrophobicContact CG2-CD1 3.71Å; L722-I724 HydrophobicContact CD2-CD1 4.06Å; L722-I724 HydrophobicContact CD2-CG1 3.85Å; L722-I724 HydrophobicContact CG-CG1 4.18Å; L722-Q766 WeakPolarHBondContact O-CA 3.47Å; L722-I767 HydrophobicContact CB-CB 4.36Å; L722-I767 HydrophobicContact CD2-CD1 4.1Å; L722-I767 PolarHBondContact N-O 3.18Å; L722-I767 PolarHBondContact O-N 3.06Å; L722-I775 HydrophobicContact CB-CD1 4.24Å; L722-L802 HydrophobicContact CD1-CD1 3.7Å; L722-L802 HydrophobicContact CD1-CD2 3.63Å; L722-L802 HydrophobicContact CD1-CG 4.17Å; L722-L802 HydrophobicContact CD2-CD2 3.37Å; L722-L802 HydrophobicContact CD2-CG 4.45Å; L722-L802 HydrophobicContact CG-CD2 4.11Å; L722-L841 HydrophobicContact CD2-CD2 3.34Å; L722-I843 HydrophobicContact CB-CD1 4.41Å; L722-I843 HydrophobicContact CD2-CD1 3.34Å; L722-I843 HydrophobicContact CD2-CG1 3.78Å
723	L	60.5	Low	51.5	Low	7 Å²	7	43.1 Å²	43.1	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133	169.9	-61.9	157.1	0	0	0	109.4	F696 C715 L716 Y725 Q766	F696-L723 HydrophobicContact CB-CD1 4.15Å; F696-L723 HydrophobicContact CD1-CD1 3.63Å; F696-L723 HydrophobicContact CD2-CD1 4.11Å; F696-L723 HydrophobicContact CE1-CD1 3.91Å; F696-L723 HydrophobicContact CE1-CG 4.49Å; F696-L723 HydrophobicContact CE2-CD1 4.42Å; F696-L723 HydrophobicContact CG-CD1 3.67Å; F696-L723 HydrophobicContact CZ-CD1 4.24Å; F696-L723 HydrophobicContact CZ-CG 4.49Å; C715-L723 CarbonylContact C-O 3.56Å; C715-L723 WeakPolarHBondContact CA-O 3.45Å; L716-L723 HydrophobicContact CB-CB 4.09Å; L716-L723 HydrophobicContact CD1-CB 4.35Å; L716-L723 HydrophobicContact CD1-CD1 4.22Å; L716-L723 HydrophobicContact CG-CB 4.41Å; L716-L723 PolarHBondContact N-O 3.49Å; L716-L723 PolarHBondContact O-N 3.01Å; L723-Y725 HydrophobicContact CB-CE2 3.91Å; L723-Q766 HydrophobicContact CD2-CB 3.61Å; L723-Q766 HydrophobicContact CD2-CG 3.69Å
724	I	62.8	Low	50.2	Low	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.6	-179.3	-58.4	168	0	0	0	107.7	V713 V714 L722 S764 I765 I767 L841 L865	V713-I724 HydrophobicContact CG1-CB 4.49Å; V713-I724 HydrophobicContact CG1-CG2 3.36Å; V714-I724 WeakPolarHBondContact O-CA 3.38Å; L722-I724 HydrophobicContact CD2-CD1 4.06Å; L722-I724 HydrophobicContact CD2-CG1 3.85Å; L722-I724 HydrophobicContact CG-CG1 4.18Å; I724-S764 WeakPolarHBondContact O-CA 3.43Å; I724-I765 HydrophobicContact CB-CB 4.21Å; I724-I765 HydrophobicContact CD1-CB 4.35Å; I724-I765 HydrophobicContact CD1-CG2 4.33Å; I724-I765 PolarHBondContact N-O 3.38Å; I724-I765 PolarHBondContact O-N 3.44Å; I724-I767 HydrophobicContact CD1-CD1 3.5Å; I724-I767 VanDerWaalsContact CD1-CD1 3.5Å; I724-I767 HydrophobicContact CD1-CG1 4.48Å; I724-L841 HydrophobicContact CD1-CB 4.47Å; I724-L841 HydrophobicContact CD1-CD2 3.23Å; I724-L841 HydrophobicContact CD1-CG 4.39Å; I724-L841 HydrophobicContact CG1-CD2 3.99Å; I724-L865 HydrophobicContact CD1-CD1 3.99Å; I724-L865 HydrophobicContact CD1-CD2 3.68Å; I724-L865 HydrophobicContact CG2-CD1 4.09Å
725	Y	59.6	Low	48.8	Very low	7 Å²	7	56.5 Å²	56.5	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125	173.1	-62.9	-88	0	0	0	109.6	I690 V713 V714 L716 L723 F760 S764	I690-Y725 HydrophobicContact CG2-CD1 4Å; I690-Y725 HydrophobicContact CG2-CE1 3.86Å; I690-Y725 HydrophobicContact CG2-CG 4.36Å; V713-Y725 VanDerWaalsContact CA-O 3.27Å; V713-Y725 WeakPolarHBondContact CA-O 3.48Å; V714-Y725 PolarHBondContact N-O 3.39Å; V714-Y725 PolarHBondContact O-N 3.08Å; V714-Y725 VanDerWaalsContact O-N 3.09Å; L716-Y725 HydrophobicContact CD1-CD2 4.41Å; L716-Y725 HydrophobicContact CD1-CE2 3.57Å; L716-Y725 HydrophobicContact CG-CD2 4.42Å; L716-Y725 HydrophobicContact CG-CE2 3.99Å; L723-Y725 HydrophobicContact CB-CE2 3.91Å; Y725-F760 HydrophobicContact CD1-CD1 4.01Å; Y725-F760 AromaticContact CD1-CE1 3.52Å; Y725-F760 HydrophobicContact CD1-CE1 3.52Å; Y725-F760 HydrophobicContact CE1-CD1 4.3Å; Y725-F760 HydrophobicContact CE1-CE1 4.17Å; Y725-F760 HydrophobicContact CG-CE1 4.3Å; Y725-S764 VanDerWaalsContact CE1-CB 3.41Å
726	S	57.9	Low	47.3	Very low	12 Å²	12	65.5 Å²	65.5	8%	0.084	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	144.5	166.2	-177	0	0	0	0	110.5
727	L	51.3	Low	45.7	Very low	19 Å²	19	73.2 Å²	73.2	10%	0.099	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	89.3	172.7	-78.2	157.8	0	0	0	109.3	I675 I690 N711 V712 V714 H729 F760	I675-L727 HydrophobicContact CD1-CD1 3.23Å; I675-L727 HydrophobicContact CD1-CD2 3.27Å; I675-L727 HydrophobicContact CD1-CG 3.79Å; I675-L727 HydrophobicContact CG1-CD1 3.91Å; I690-L727 HydrophobicContact CD1-CD2 4.48Å; N711-L727 HydrophobicContact CB-CB 3.65Å; N711-L727 WeakPolarHBondContact CB-O 3.01Å; N711-L727 PolarHBondContact ND2-O 3.29Å; V712-L727 HydrophobicContact CB-CD1 3.87Å; V712-L727 HydrophobicContact CG1-CD1 4.02Å; V712-L727 WeakPolarHBondContact O-CD1 3.29Å; V714-L727 HydrophobicContact CG2-CD1 4.38Å; L727-H729 PolarHBondContact O-N 2.81Å; L727-F760 HydrophobicContact CD2-CZ 4.29Å
728	D	47	Very low	44.1	Very low	96 Å²	96	80.9 Å²	80.9	51%	0.513	41%	0.407	S	S	.	.			trans	-69.2	133.6	173.7	-86.8	-22.7	0	0	0	111.3	Q730	D728-Q730 VanDerWaalsContact C-N 3.28Å; D728-Q730 PolarHBondContact O-N 3.41Å
729	H	39.9	Very low	42.3	Very low	90 Å²	90	86 Å²	86	42%	0.417	44%	0.441	S	S	.	.	S	Bend	trans	-73.2	-8.6	-166.7	-147.4	-41.9	0	0	0	114.7	N711 L727	N711-H729 VanDerWaalsContact ND2-CA 3.26Å; N711-H729 WeakPolarHBondContact ND2-CA 3.5Å; N711-H729 WeakPolarHBondContact ND2-CB 3.41Å; N711-H729 PolarHBondContact ND2-CD2 2.96Å; N711-H729 VanDerWaalsContact ND2-CD2 3.3Å; N711-H729 PolarHBondContact ND2-N 2.92Å; N711-H729 PolarHBondContact OD1-CD2 3.33Å; N711-H729 PolarHBondContact OD1-NE2 2.89Å; L727-H729 PolarHBondContact O-N 2.81Å
730	Q	35.5	Very low	40.6	Very low	136 Å²	136	90.2 Å²	90.2	64%	0.636	46%	0.464	S	S	*	.	S	Bend	trans	-120.8	-19.2	-149.9	-77.5	-94.5	-55.1	0	0	120.1	D728	D728-Q730 VanDerWaalsContact C-N 3.28Å; D728-Q730 PolarHBondContact O-N 3.41Å
731	Q	32.9	Very low	38.8	Very low	105 Å²	105	94.6 Å²	94.6	49%	0.491	48%	0.483	S	S	.	.	S	Bend	trans	-137.9	-5.3	-169.1	-80.3	-174	-18.6	0	0	120.6	C733	Q731-C733 PolarHBondContact O-N 2.83Å
732	N	31.8	Very low	37	Very low	133 Å²	133	100.1 Å²	100.1	71%	0.711	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	4.6	-178.3	-80.4	7	0	0	0	116
733	C	30.5	Very low	35.2	Very low	120 Å²	120	108.6 Å²	108.6	81%	0.811	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139	2.8	-176.4	-67.7	0	0	0	0	118.1	Q731	Q731-C733 PolarHBondContact O-N 2.83Å
734	L	25.8	Very low	33.3	Very low	126 Å²	126	115.9 Å²	115.9	66%	0.66	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-13.8	180	-81.8	166.1	0	0	0	115.2	H736	L734-H736 PolarHBondContact O-N 2.83Å
735	H	24.2	Very low	31.4	Very low	156 Å²	156	124.5 Å²	124.5	72%	0.722	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	53.8	177.2	-78.1	-64.2	0	0	0	113.6
736	H	25.6	Very low	29.6	Very low	189 Å²	189	128.9 Å²	128.9	88%	0.875	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.4	47.8	150.1	-89.2	-49.4	0	0	0	110.7	L734	L734-H736 PolarHBondContact O-N 2.83Å
737	Q	22.9	Very low	28	Very low	167 Å²	167	135.8 Å²	135.8	78%	0.78	69%	0.692	S	S	*	*			trans	-97.9	65	155.4	-72.9	-170.4	-5.8	0	0	109.1
738	Q	21.5	Very low	26.6	Very low	162 Å²	162	143.3 Å²	143.3	76%	0.757	73%	0.727	S	S	*	*			trans	-97.5	120.1	152.7	-86.3	-172.6	-9.2	0	0	107.1	V740	Q738-V740 VanDerWaalsContact C-N 3.28Å; Q738-V740 PolarHBondContact O-N 2.79Å
739	P	21.1	Very low	25.4	Very low	117 Å²	117	143.1 Å²	143.1	76%	0.76	73%	0.733	S	S	*	*			trans	-72.7	88	-178.4	30.5	-31.9	0	0	0	107.8	K741	P739-K741 PolarHBondContact O-N 2.82Å
740	V	22.7	Very low	24.8	Very low	131 Å²	131	146 Å²	146	79%	0.794	75%	0.751	S	S	*	*			trans	-72.4	88.6	168.1	-175.9	0	0	0	0	106.6	Q738 Q742	Q738-V740 VanDerWaalsContact C-N 3.28Å; Q738-V740 PolarHBondContact O-N 2.79Å; V740-Q742 PolarHBondContact O-N 2.87Å
741	K	21.1	Very low	24.2	Very low	170 Å²	170	147.4 Å²	147.4	74%	0.739	76%	0.758	S	S	*	*			trans	-54.3	132.3	159.6	-76	178.2	175.2	177.3	0	108	P739	P739-K741 PolarHBondContact O-N 2.82Å
742	Q	21.5	Very low	24	Very low	158 Å²	158	147.5 Å²	147.5	74%	0.738	77%	0.765	S	S	*	*			trans	67.5	100	154.5	-58.4	167.2	-20.7	0	0	116.3	V740	V740-Q742 PolarHBondContact O-N 2.87Å
743	H	22.9	Very low	23.8	Very low	178 Å²	178	144.8 Å²	144.8	82%	0.824	75%	0.754	S	S	*	*				175.1	141.4	97.6	-100.5	-82.6	0	0	0	109.5	E745	H743-E745 PolarHBondContact O-N 2.89Å
744	I	21.6	Very low	23.7	Very low	161 Å²	161	144 Å²	144	83%	0.826	74%	0.741	S	S	*	*			trans	-66.5	118.5	176.6	-66	154.4	0	0	0	108.2
745	E	23	Very low	23.9	Very low	182 Å²	182	141.1 Å²	141.1	85%	0.85	74%	0.736	S	S	*	*			trans	-154.2	105.5	152.6	-109.5	167.5	-154.3	0	0	108.3	H743 D747	H743-E745 PolarHBondContact O-N 2.89Å; E745-D747 PolarHBondContact O-N 2.97Å
746	S	22	Very low	24.4	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	73%	0.725	S	S	*	*			trans	-56.4	122.7	164.7	46.2	0	0	0	0	109.6
747	D	23.4	Very low	24.8	Very low	156 Å²	156	130.8 Å²	130.8	83%	0.834	69%	0.692	S	S	*	*			trans	148.9	17.6	157.9	-77.5	-14.5	0	0	0	113.7	E745 S749	E745-D747 PolarHBondContact O-N 2.97Å; D747-S749 VanDerWaalsContact C-N 3.27Å; D747-S749 PolarHBondContact O-N 2.89Å
748	Q	22.2	Very low	25.4	Very low	178 Å²	178	126.5 Å²	126.5	83%	0.832	67%	0.674	S	S	*	*			trans	-80.3	85.8	162.9	-66	-169.6	10.8	0	0	109.1	N750	Q748-N750 PolarHBondContact O-N 3.01Å
749	S	22.4	Very low	26.3	Very low	91 Å²	91	123.6 Å²	123.6	64%	0.636	66%	0.661	S	S	*	*			trans	-37.2	124.2	150.9	55.3	0	0	0	0	107.9	D747 Q751	D747-S749 VanDerWaalsContact C-N 3.27Å; D747-S749 PolarHBondContact O-N 2.89Å; S749-Q751 VanDerWaalsContact C-N 3.26Å; S749-Q751 PolarHBondContact O-N 2.75Å
750	N	25.9	Very low	27.1	Very low	152 Å²	152	119.5 Å²	119.5	81%	0.813	63%	0.631	S	S	*	*			trans	-44.6	98	172.5	-72.8	-24.7	0	0	0	107.9	Q748 V752	Q748-N750 PolarHBondContact O-N 3.01Å; N750-V752 PolarHBondContact O-N 2.92Å
751	Q	23.2	Very low	28	Very low	164 Å²	164	114.9 Å²	114.9	77%	0.766	61%	0.605	S	S	*	*			trans	-67.1	91.1	168.3	-80.2	-178	-2.7	0	0	102.4	S749 V753	S749-Q751 VanDerWaalsContact C-N 3.26Å; S749-Q751 PolarHBondContact O-N 2.75Å; Q751-V753 PolarHBondContact O-N 2.67Å
752	V	29.1	Very low	29	Very low	107 Å²	107	114.1 Å²	114.1	65%	0.648	60%	0.603	S	S	*	*			trans	-54.3	102.3	159.2	177	0	0	0	0	102.7	N750 D754	N750-V752 PolarHBondContact O-N 2.92Å; V752-D754 PolarHBondContact O-N 3.05Å
753	V	28.4	Very low	30.3	Very low	77 Å²	77	109.1 Å²	109.1	47%	0.467	59%	0.586	S	S	.	*			trans	-62.6	94.4	179.1	178.1	0	0	0	0	104.5	Q751 A755 D756	Q751-V753 PolarHBondContact O-N 2.67Å; V753-A755 HydrophobicContact CG1-CB 3.81Å; V753-A755 PolarHBondContact O-N 2.93Å; V753-D756 HydrophobicContact CB-CB 4.48Å; V753-D756 HydrophobicContact CG1-CB 4.46Å; V753-D756 PolarHBondContact O-N 2.84Å
754	D	27.5	Very low	31.9	Very low	103 Å²	103	102.1 Å²	102.1	55%	0.551	56%	0.557	S	S	*	*	H	α-helix	trans	-55.4	-22.8	179.9	-109.3	-39.3	0	0	0	110.7	K693 V752 L757 D758	K693-D754 IonicContact NZ-OD1 2.69Å; V752-D754 PolarHBondContact O-N 3.05Å; D754-L757 PolarHBondContact O-N 2.67Å; D754-D758 PolarHBondContact O-N 3.49Å
755	A	30.3	Very low	33.8	Very low	66 Å²	66	96.4 Å²	96.4	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-64.2	-43.4	173.6	0	0	0	0	0	113	V753 L757 D758 Q759	V753-A755 HydrophobicContact CG1-CB 3.81Å; V753-A755 PolarHBondContact O-N 2.93Å; A755-L757 VanDerWaalsContact C-N 3.28Å; A755-L757 PolarHBondContact O-N 2.77Å; A755-D758 PolarHBondContact O-N 3.06Å; A755-Q759 WeakPolarHBondContact O-CB 3.33Å; A755-Q759 PolarHBondContact O-N 3.48Å
756	D	34.3	Very low	35.6	Very low	94 Å²	94	91.4 Å²	91.4	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-67.5	-32.3	178.3	-77.2	-14.3	0	0	0	111.2	V753 Q759 F760	V753-D756 HydrophobicContact CB-CB 4.48Å; V753-D756 HydrophobicContact CG1-CB 4.46Å; V753-D756 PolarHBondContact O-N 2.84Å; D756-Q759 PolarHBondContact O-N 3.4Å; D756-F760 WeakPolarHBondContact O-CB 3.3Å; D756-F760 PolarHBondContact O-N 2.96Å
757	L	33.9	Very low	37.5	Very low	33 Å²	33	87.4 Å²	87.4	17%	0.173	48%	0.475	C	S	.	.	H	α-helix	trans	-75.8	-38	-179.4	-167	67.1	0	0	0	112.4	V691 K693 D754 A755 Q759 F760 C761	V691-L757 HydrophobicContact CB-CD1 4.41Å; K693-L757 HydrophobicContact CD-CD2 4.48Å; K693-L757 HydrophobicContact CG-CD2 4.24Å; D754-L757 PolarHBondContact O-N 2.67Å; A755-L757 VanDerWaalsContact C-N 3.28Å; A755-L757 PolarHBondContact O-N 2.77Å; L757-Q759 VanDerWaalsContact C-N 3.28Å; L757-F760 PolarHBondContact O-N 3.03Å; L757-C761 WeakPolarHBondContact O-CB 3.37Å; L757-C761 PolarHBondContact O-N 3.46Å; L757-C761 PolarHBondContact O-SG 2.65Å; L757-C761 VanDerWaalsContact O-SG 3.39Å
758	D	36.4	Very low	39.4	Very low	77 Å²	77	83.1 Å²	83.1	41%	0.412	46%	0.457	S	S	.	.	H	α-helix	trans	-65	-36.3	169.3	-87.4	-4.2	0	0	0	110.6	K693 D754 A755 C761 Q762	K693-D758 IonicContact NZ-OD1 3.03Å; K693-D758 PolarHBondContact NZ-OD1 3.45Å; K693-D758 IonicContact NZ-OD2 2.74Å; D754-D758 PolarHBondContact O-N 3.49Å; A755-D758 PolarHBondContact O-N 3.06Å; D758-C761 PolarHBondContact O-N 3.44Å; D758-Q762 VanDerWaalsContact O-CB 3.29Å; D758-Q762 WeakPolarHBondContact O-CB 3.2Å; D758-Q762 WeakPolarHBondContact O-CG 3.42Å; D758-Q762 PolarHBondContact O-N 2.98Å
759	Q	39.8	Very low	41.2	Very low	101 Å²	101	75.1 Å²	75.1	47%	0.472	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-36.8	175.7	-145	170	11.7	0	0	112.4	A755 D756 L757 Q762 S763	A755-Q759 WeakPolarHBondContact O-CB 3.33Å; A755-Q759 PolarHBondContact O-N 3.48Å; D756-Q759 PolarHBondContact O-N 3.4Å; L757-Q759 VanDerWaalsContact C-N 3.28Å; Q759-Q762 WeakPolarHBondContact O-CB 3.37Å; Q759-Q762 PolarHBondContact O-N 2.88Å; Q759-S763 PolarHBondContact O-N 3.14Å
760	F	37.6	Very low	42.9	Very low	31 Å²	31	74 Å²	74	14%	0.136	41%	0.41	C	S	.	.	H	α-helix	trans	-75.7	-36.3	176.4	-156.7	-88.9	0	0	0	112.9	I690 Y725 L727 D756 L757 Q762 S763 S764	I690-F760 HydrophobicContact CB-CE1 4.15Å; I690-F760 HydrophobicContact CD1-CE1 3.6Å; I690-F760 HydrophobicContact CD1-CZ 3.59Å; I690-F760 HydrophobicContact CG1-CD1 4.39Å; I690-F760 HydrophobicContact CG1-CE1 3.52Å; I690-F760 HydrophobicContact CG1-CZ 3.72Å; I690-F760 HydrophobicContact CG2-CD1 4.11Å; I690-F760 HydrophobicContact CG2-CE1 3.64Å; Y725-F760 HydrophobicContact CD1-CD1 4.01Å; Y725-F760 AromaticContact CD1-CE1 3.52Å; Y725-F760 HydrophobicContact CD1-CE1 3.52Å; Y725-F760 HydrophobicContact CE1-CD1 4.3Å; Y725-F760 HydrophobicContact CE1-CE1 4.17Å; Y725-F760 HydrophobicContact CG-CE1 4.3Å; L727-F760 HydrophobicContact CD2-CZ 4.29Å; D756-F760 WeakPolarHBondContact O-CB 3.3Å; D756-F760 PolarHBondContact O-N 2.96Å; L757-F760 PolarHBondContact O-N 3.03Å; F760-Q762 VanDerWaalsContact C-N 3.25Å; F760-Q762 PolarHBondContact O-N 2.75Å; F760-S763 PolarHBondContact O-N 3.03Å; F760-S763 PolarHBondContact O-OG 2.8Å; F760-S764 PolarHBondContact O-N 2.78Å
761	C	41.1	Very low	44.1	Very low	35 Å²	35	72.4 Å²	72.4	24%	0.236	40%	0.402	C	S	.	.	H	α-helix	trans	-67.3	-30.5	169.8	-69.9	0	0	0	0	111.4	L757 D758 S763 S764	L757-C761 WeakPolarHBondContact O-CB 3.37Å; L757-C761 PolarHBondContact O-N 3.46Å; L757-C761 PolarHBondContact O-SG 2.65Å; L757-C761 VanDerWaalsContact O-SG 3.39Å; D758-C761 PolarHBondContact O-N 3.44Å; C761-S763 VanDerWaalsContact C-N 3.27Å; C761-S763 PolarHBondContact O-N 2.79Å; C761-S764 PolarHBondContact O-N 3.46Å; C761-S764 PolarHBondContact O-OG 3.03Å
762	Q	43.7	Very low	45.3	Very low	153 Å²	153	67.1 Å²	67.1	72%	0.715	38%	0.382	S	S	*	.	H	α-helix	trans	-65.9	-26.8	173.4	-79.3	167.9	20.2	0	0	112.8	D758 Q759 F760	D758-Q762 VanDerWaalsContact O-CB 3.29Å; D758-Q762 WeakPolarHBondContact O-CB 3.2Å; D758-Q762 WeakPolarHBondContact O-CG 3.42Å; D758-Q762 PolarHBondContact O-N 2.98Å; Q759-Q762 WeakPolarHBondContact O-CB 3.37Å; Q759-Q762 PolarHBondContact O-N 2.88Å; F760-Q762 VanDerWaalsContact C-N 3.25Å; F760-Q762 PolarHBondContact O-N 2.75Å
763	S	48.4	Very low	46.6	Very low	54 Å²	54	63.8 Å²	63.8	38%	0.378	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.8	174	66.9	0	0	0	0	114.3	Q759 F760 C761	Q759-S763 PolarHBondContact O-N 3.14Å; F760-S763 PolarHBondContact O-N 3.03Å; F760-S763 PolarHBondContact O-OG 2.8Å; C761-S763 VanDerWaalsContact C-N 3.27Å; C761-S763 PolarHBondContact O-N 2.79Å
764	S	56.7	Low	48	Very low	30 Å²	30	61.1 Å²	61.1	21%	0.21	34%	0.342	C	S	.	.			trans	-82.3	136.5	178.3	73.2	0	0	0	0	112.4	I724 Y725 F760 C761	I724-S764 WeakPolarHBondContact O-CA 3.43Å; Y725-S764 VanDerWaalsContact CE1-CB 3.41Å; F760-S764 PolarHBondContact O-N 2.78Å; C761-S764 PolarHBondContact O-N 3.46Å; C761-S764 PolarHBondContact O-OG 3.03Å
765	I	59.6	Low	49.3	Very low	42 Å²	42	56.3 Å²	56.3	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.8	177.5	-59.9	167.7	0	0	0	107.6	I724 I767 V863 L865	I724-I765 HydrophobicContact CB-CB 4.21Å; I724-I765 HydrophobicContact CD1-CB 4.35Å; I724-I765 HydrophobicContact CD1-CG2 4.33Å; I724-I765 PolarHBondContact N-O 3.38Å; I724-I765 PolarHBondContact O-N 3.44Å; I765-I767 HydrophobicContact CG2-CD1 4.23Å; I765-I767 HydrophobicContact CG2-CG1 4.02Å; I765-V863 HydrophobicContact CG2-CG1 4.36Å; I765-L865 HydrophobicContact CB-CD2 4.17Å; I765-L865 HydrophobicContact CD1-CB 3.94Å; I765-L865 HydrophobicContact CD1-CD2 3.37Å; I765-L865 HydrophobicContact CD1-CG 4.14Å; I765-L865 HydrophobicContact CG1-CD2 4.32Å; I765-L865 HydrophobicContact CG2-CD2 3.76Å
766	Q	61.6	Low	50.4	Low	76 Å²	76	56.7 Å²	56.7	36%	0.355	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.6	173.5	-176.6	179.7	-7.2	0	0	110	L722 L723 S768	L722-Q766 WeakPolarHBondContact O-CA 3.47Å; L723-Q766 HydrophobicContact CD2-CB 3.61Å; L723-Q766 HydrophobicContact CD2-CG 3.69Å; Q766-S768 PolarHBondContact NE2-OG 2.66Å
767	I	61.9	Low	51.1	Low	16 Å²	16	53.5 Å²	53.5	8%	0.082	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	110.4	177.2	-55.7	167.1	0	0	0	108.2	D721 L722 I724 I765 L841 I843 V863	D721-I767 CarbonylContact C-O 3.56Å; D721-I767 VanDerWaalsContact CA-O 3.29Å; D721-I767 WeakPolarHBondContact CA-O 3.49Å; L722-I767 HydrophobicContact CB-CB 4.36Å; L722-I767 HydrophobicContact CD2-CD1 4.1Å; L722-I767 PolarHBondContact N-O 3.18Å; L722-I767 PolarHBondContact O-N 3.06Å; I724-I767 HydrophobicContact CD1-CD1 3.5Å; I724-I767 VanDerWaalsContact CD1-CD1 3.5Å; I724-I767 HydrophobicContact CD1-CG1 4.48Å; I765-I767 HydrophobicContact CG2-CD1 4.23Å; I765-I767 HydrophobicContact CG2-CG1 4.02Å; I767-L841 HydrophobicContact CD1-CD2 3.94Å; I767-I843 HydrophobicContact CB-CD1 3.91Å; I767-I843 HydrophobicContact CD1-CD1 3.6Å; I767-I843 HydrophobicContact CG1-CD1 4.36Å; I767-I843 HydrophobicContact CG2-CD1 3.51Å; I767-V863 HydrophobicContact CB-CG2 4.42Å; I767-V863 HydrophobicContact CD1-CB 3.51Å; I767-V863 HydrophobicContact CD1-CG1 3.59Å; I767-V863 HydrophobicContact CD1-CG2 3.46Å; I767-V863 VanDerWaalsContact CD1-CG2 3.46Å; I767-V863 HydrophobicContact CG1-CB 4.24Å; I767-V863 HydrophobicContact CG1-CG1 4.01Å; I767-V863 HydrophobicContact CG1-CG2 3.82Å; I767-V863 HydrophobicContact CG2-CG2 3.74Å
768	S	64	Low	51.5	Low	66 Å²	66	59.4 Å²	59.4	46%	0.462	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.9	176.4	-68.3	0	0	0	0	110.1	D721 Q766	D721-S768 WeakPolarHBondContact OD1-CA 3.37Å; D721-S768 WeakPolarHBondContact OD1-CB 2.97Å; D721-S768 PolarHBondContact OD1-OG 3.16Å; Q766-S768 PolarHBondContact NE2-OG 2.66Å
769	L	59.2	Low	51.7	Low	10 Å²	10	59 Å²	59	5%	0.052	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-73.3	140.4	172.3	-65.6	-170.4	0	0	0	110.9	K720 I775 I843 F861	K720-L769 VanDerWaalsContact O-CB 3.27Å; K720-L769 WeakPolarHBondContact O-CB 3.49Å; K720-L769 WeakPolarHBondContact O-CG 3.4Å; K720-L769 PolarHBondContact O-N 2.87Å; L769-I775 HydrophobicContact CD1-CD1 4.1Å; L769-I775 HydrophobicContact CD1-CG1 3.36Å; L769-I775 HydrophobicContact CG-CD1 4.37Å; L769-I775 HydrophobicContact CG-CG1 4.14Å; L769-I843 HydrophobicContact CD2-CG2 4.16Å; L769-F861 HydrophobicContact CD1-CE2 4.43Å; L769-F861 HydrophobicContact CD2-CB 4.23Å; L769-F861 HydrophobicContact CD2-CD1 4.09Å; L769-F861 HydrophobicContact CD2-CD2 3.29Å; L769-F861 HydrophobicContact CD2-CE1 4.31Å; L769-F861 HydrophobicContact CD2-CE2 3.55Å; L769-F861 HydrophobicContact CD2-CG 3.59Å; L769-F861 HydrophobicContact CD2-CZ 4.06Å
770	P	58.1	Low	51.4	Low	66 Å²	66	57 Å²	57	43%	0.429	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-67.9	141.3	172.8	27	-31.5	0	0	0	111	Y773 F861	P770-Y773 HydrophobicContact CG-CD2 4.26Å; P770-Y773 WeakPolarHBondContact O-CB 3.4Å; P770-Y773 WeakPolarHBondContact O-CD2 3.32Å; P770-Y773 PolarHBondContact O-N 2.81Å; P770-F861 HydrophobicContact CG-CE1 3.45Å; P770-F861 VanDerWaalsContact CG-CE1 3.45Å; P770-F861 HydrophobicContact CG-CZ 3.72Å
771	N	52	Low	51.4	Low	119 Å²	119	58.5 Å²	58.5	64%	0.636	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	138.5	168.8	-74.4	-28.7	0	0	0	110	K720	K720-N771 WeakPolarHBondContact CE-OD1 2.98Å; K720-N771 PolarHBondContact NZ-OD1 2.75Å
772	P	48.4	Very low	51.2	Low	53 Å²	53	58.1 Å²	58.1	34%	0.344	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	cis	-97.5	18.6	11.4	6.8	14.2	0	0	0	115	K847 I848	P772-K847 HydrophobicContact CB-CG 3.94Å; P772-K847 HydrophobicContact CG-CD 4.27Å; P772-K847 HydrophobicContact CG-CG 3.7Å; P772-I848 PolarHBondContact O-N 2.98Å
773	Y	55.6	Low	50.6	Low	38 Å²	38	53.3 Å²	53.3	15%	0.149	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	143	-174.4	-64.7	-85	0	0	0	112.7	P770 G845 T846 K847 K859 F861	P770-Y773 HydrophobicContact CG-CD2 4.26Å; P770-Y773 WeakPolarHBondContact O-CB 3.4Å; P770-Y773 WeakPolarHBondContact O-CD2 3.32Å; P770-Y773 PolarHBondContact O-N 2.81Å; Y773-G845 WeakPolarHBondContact CD1-O 3.49Å; Y773-T846 CarbonylContact C-O 3.53Å; Y773-T846 WeakPolarHBondContact CA-O 3.45Å; Y773-K847 HydrophobicContact CD1-CB 3.98Å; Y773-K847 HydrophobicContact CE1-CB 3.81Å; Y773-K859 HydrophobicContact CD1-CB 4Å; Y773-K859 HydrophobicContact CE1-CB 3.39Å; Y773-K859 HydrophobicContact CE2-CB 4.4Å; Y773-K859 HydrophobicContact CE2-CD 4.23Å; Y773-F861 AromaticContact CD2-CZ 3.97Å; Y773-F861 HydrophobicContact CD2-CZ 3.97Å; Y773-F861 HydrophobicContact CE2-CZ 4.48Å; Y773-F861 HydrophobicContact CG-CE2 4.25Å; Y773-F861 HydrophobicContact CG-CZ 4.01Å
774	V	57.5	Low	49.8	Very low	20 Å²	20	53.2 Å²	53.2	12%	0.121	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.1	-178	-179.7	0	0	0	0	109.3	S719 K720 N776 T846 I848	S719-V774 CarbonylContact O-C 3.43Å; S719-V774 WeakPolarHBondContact O-CA 3.26Å; S719-V774 WeakPolarHBondContact O-CB 3.27Å; S719-V774 WeakPolarHBondContact O-CG1 3.15Å; K720-V774 HydrophobicContact CG-CG2 4.39Å; V774-N776 PolarHBondContact O-N 3.4Å; V774-T846 PolarHBondContact N-O 3.42Å; V774-T846 PolarHBondContact O-N 3.39Å; V774-T846 PolarHBondContact O-OG1 2.92Å; V774-I848 HydrophobicContact CB-CD1 3.79Å; V774-I848 HydrophobicContact CB-CG1 4.18Å; V774-I848 HydrophobicContact CG1-CD1 4Å; V774-I848 HydrophobicContact CG2-CD1 3.64Å; V774-I848 HydrophobicContact CG2-CG1 4.04Å
775	I	56.2	Low	48.6	Very low	3 Å²	3	54.1 Å²	54.1	2%	0.015	32%	0.317	C	S	.	.			trans	-76.7	114.6	173.4	-50.4	170.6	0	0	0	108	V717 S719 L722 L769 L777 Q801 I843	V717-I775 HydrophobicContact CG1-CB 3.75Å; V717-I775 HydrophobicContact CG1-CD1 3.47Å; V717-I775 VanDerWaalsContact CG1-CD1 3.47Å; V717-I775 HydrophobicContact CG1-CG1 4.17Å; V717-I775 HydrophobicContact CG1-CG2 3.55Å; S719-I775 PolarHBondContact O-N 3.5Å; L722-I775 HydrophobicContact CB-CD1 4.24Å; L769-I775 HydrophobicContact CD1-CD1 4.1Å; L769-I775 HydrophobicContact CD1-CG1 3.36Å; L769-I775 HydrophobicContact CG-CD1 4.37Å; L769-I775 HydrophobicContact CG-CG1 4.14Å; I775-L777 HydrophobicContact CG2-CD2 4.45Å; I775-L777 PolarHBondContact O-N 2.78Å; I775-Q801 HydrophobicContact CG2-CB 4.01Å; I775-Q801 HydrophobicContact CG2-CG 4.28Å; I775-I843 HydrophobicContact CD1-CG2 3.93Å; I775-I843 HydrophobicContact CG1-CG2 4.23Å
776	N	53.2	Low	47.3	Very low	74 Å²	74	56 Å²	56	40%	0.396	33%	0.332	S	S	.	.			trans	-84.1	99.9	-179.3	178.5	-1.5	0	0	0	110.6	V774 N778 Q801	V774-N776 PolarHBondContact O-N 3.4Å; N776-N778 PolarHBondContact O-N 3.22Å; N776-N778 PolarHBondContact OD1-N 2.92Å; N776-Q801 PolarHBondContact O-NE2 3.32Å; N776-Q801 PolarHBondContact O-OE1 3.06Å
777	L	47.2	Very low	46	Very low	26 Å²	26	55.6 Å²	55.6	14%	0.136	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-77.9	-11.2	-172	-73.5	163.4	0	0	0	116.4	Q699 A700 V717 I775 T779 G780	Q699-L777 HydrophobicContact CB-CD1 3.14Å; Q699-L777 HydrophobicContact CG-CD1 4.22Å; A700-L777 HydrophobicContact CB-CB 4.42Å; A700-L777 HydrophobicContact CB-CD1 4.27Å; A700-L777 HydrophobicContact CB-CD2 3.6Å; A700-L777 HydrophobicContact CB-CG 4.33Å; V717-L777 HydrophobicContact CB-CD1 3.9Å; V717-L777 HydrophobicContact CB-CD2 3.46Å; V717-L777 VanDerWaalsContact CB-CD2 3.46Å; V717-L777 HydrophobicContact CB-CG 4.2Å; V717-L777 HydrophobicContact CG1-CD1 3.94Å; V717-L777 HydrophobicContact CG1-CD2 3.53Å; V717-L777 HydrophobicContact CG1-CG 4Å; V717-L777 HydrophobicContact CG2-CD2 3.84Å; I775-L777 HydrophobicContact CG2-CD2 4.45Å; I775-L777 PolarHBondContact O-N 2.78Å; L777-T779 PolarHBondContact O-N 2.95Å; L777-T779 VanDerWaalsContact O-N 3.12Å; L777-G780 PolarHBondContact O-N 2.91Å
778	N	43.2	Very low	44.6	Very low	158 Å²	158	55.2 Å²	55.2	85%	0.845	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-68.2	-14.2	-174.7	-71.5	-19.3	0	0	0	113.8	N776	N776-N778 PolarHBondContact O-N 3.22Å; N776-N778 PolarHBondContact OD1-N 2.92Å
779	T	41.3	Very low	43.1	Very low	69 Å²	69	56.9 Å²	56.9	42%	0.423	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-94.9	-5.2	-179.1	54.8	0	0	0	0	114.7	L777 T781 Q801	L777-T779 PolarHBondContact O-N 2.95Å; L777-T779 VanDerWaalsContact O-N 3.12Å; T779-T781 PolarHBondContact O-N 3.47Å; T779-Q801 PolarHBondContact OG1-NE2 2.75Å
780	G	33.8	Very low	41.8	Very low	59 Å²	59	62.8 Å²	62.8	61%	0.608	36%	0.36	S	S	*	.			trans	55.4	1.2	162.2	0	0	0	0	0	119.7	L777	L777-G780 PolarHBondContact O-N 2.91Å
781	T	37.4	Very low	40.7	Very low	61 Å²	61	68.1 Å²	68.1	37%	0.374	38%	0.379	S	S	.	.			trans	-91.5	118.3	-177.2	53	0	0	0	0	111.4	T779 Y799 N800 Q801	T779-T781 PolarHBondContact O-N 3.47Å; T781-Y799 PolarHBondContact OG1-O 2.86Å; T781-N800 WeakPolarHBondContact CB-OD1 3.45Å; T781-N800 VanDerWaalsContact O-CA 3.23Å; T781-N800 WeakPolarHBondContact O-CA 3.46Å; T781-N800 VanDerWaalsContact O-CB 3.24Å; T781-N800 WeakPolarHBondContact O-CB 3.42Å; T781-N800 PolarHBondContact O-OD1 2.72Å; T781-Q801 PolarHBondContact O-N 2.84Å; T781-Q801 VanDerWaalsContact O-N 3.11Å
782	V	35.6	Very low	39.8	Very low	27 Å²	27	63.9 Å²	63.9	16%	0.164	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-127.8	120.2	166	-173.8	0	0	0	0	106.2	T702 L704 N800 L802	T702-V782 HydrophobicContact CG2-CB 3.48Å; T702-V782 VanDerWaalsContact CG2-CB 3.48Å; T702-V782 HydrophobicContact CG2-CG1 3.89Å; T702-V782 HydrophobicContact CG2-CG2 3.71Å; T702-V782 WeakPolarHBondContact OG1-CG2 3.36Å; L704-V782 HydrophobicContact CD1-CG1 3.73Å; L704-V782 HydrophobicContact CD2-CB 4.31Å; L704-V782 HydrophobicContact CD2-CG1 3.21Å; L704-V782 HydrophobicContact CG-CG1 3.71Å; V782-N800 PolarHBondContact N-OD1 3.05Å; V782-L802 HydrophobicContact CB-CB 4.41Å; V782-L802 HydrophobicContact CG1-CB 3.67Å; V782-L802 WeakPolarHBondContact CG1-O 3.31Å; V782-L802 HydrophobicContact CG2-CB 4Å; V782-L802 HydrophobicContact CG2-CD1 4.34Å
783	S	32.6	Very low	39.1	Very low	52 Å²	52	61.6 Å²	61.6	36%	0.364	34%	0.339	S	S	.	.			trans	-129.4	146	176.4	-23.6	0	0	0	0	108.3	N800 C803	S783-N800 WeakPolarHBondContact CA-ND2 3.47Å; S783-N800 WeakPolarHBondContact CB-ND2 3.28Å; S783-N800 PolarHBondContact N-ND2 2.83Å; S783-N800 PolarHBondContact N-OD1 3Å; S783-N800 PolarHBondContact O-ND2 2.92Å; S783-N800 VanDerWaalsContact OG-CG 3.24Å; S783-N800 PolarHBondContact OG-ND2 3.05Å; S783-N800 PolarHBondContact OG-OD1 2.75Å; S783-C803 WeakPolarHBondContact O-CA 3.17Å
784	L	30.9	Very low	37.9	Very low	53 Å²	53	65.5 Å²	65.5	28%	0.277	36%	0.362	S	S	.	.			trans	-82.4	143.3	165.3	-72.4	126	0	0	0	110	L704 T705 V706 L804	L704-L784 HydrophobicContact CB-CD1 4.14Å; L704-L784 HydrophobicContact CB-CD2 4.2Å; L704-L784 HydrophobicContact CB-CG 4.18Å; L704-L784 HydrophobicContact CD2-CD1 3.86Å; L704-L784 HydrophobicContact CD2-CG 3.79Å; T705-L784 WeakPolarHBondContact O-CD1 3.35Å; T705-L784 WeakPolarHBondContact O-CD2 3.03Å; V706-L784 HydrophobicContact CG2-CD2 4.48Å; L784-L804 HydrophobicContact CD2-CB 4.13Å; L784-L804 HydrophobicContact CD2-CD2 4.05Å
785	F	32.3	Very low	36.7	Very low	48 Å²	48	69.3 Å²	69.3	21%	0.211	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-115.5	119.7	159.6	-78.2	-91	0	0	0	107.5	L77 V788 F798 C803 L804 T805	L77-F785 HydrophobicContact CD1-CD1 4.17Å; L77-F785 HydrophobicContact CD1-CE1 4.29Å; F785-V788 HydrophobicContact CB-CG2 4.42Å; F785-F798 HydrophobicContact CD2-CD1 4.39Å; F785-C803 VanDerWaalsContact CD2-SG 3.53Å; F785-L804 PolarHBondContact N-O 3.13Å; F785-T805 HydrophobicContact CB-CG2 3.98Å; F785-T805 WeakPolarHBondContact O-CA 3.32Å
786	P	31.6	Very low	35.5	Very low	81 Å²	81	69.3 Å²	69.3	53%	0.526	38%	0.382	S	S	.	.			trans	-61.3	144.8	170.1	23.5	-29.2	0	0	0	110.4	F70	F70-P786 HydrophobicContact CD2-CG 4.36Å; F70-P786 HydrophobicContact CE2-CB 4.08Å; F70-P786 HydrophobicContact CE2-CG 4.1Å
787	E	33.7	Very low	34.8	Very low	69 Å²	69	66.6 Å²	66.6	32%	0.322	37%	0.367	S	S	.	.			trans	26.2	94.9	166.6	-74.4	-176.4	142.2	0	0	117.6	F70 Q74 S806 S808	F70-E787 HydrophobicContact CE2-CB 4.23Å; F70-E787 HydrophobicContact CZ-CB 3.66Å; F70-E787 WeakPolarHBondContact CZ-O 3.31Å; Q74-E787 PolarHBondContact NE2-O 3.07Å; E787-S806 VanDerWaalsContact CA-O 3.28Å; E787-S806 WeakPolarHBondContact CA-O 3.22Å; E787-S808 WeakPolarHBondContact OE1-CB 3.2Å; E787-S808 PolarHBondContact OE1-OG 3.45Å
788	V	33.3	Very low	34.1	Very low	8 Å²	8	65.6 Å²	65.6	5%	0.048	36%	0.362	C	S	.	.			trans	-114.2	127.5	171	-167.7	0	0	0	0	108.8	F785 W792 I793 T805 S806	F785-V788 HydrophobicContact CB-CG2 4.42Å; V788-W792 HydrophobicContact CG1-CB 3.72Å; V788-W792 HydrophobicContact CG1-CG 4.2Å; V788-I793 HydrophobicContact CB-CD1 4.43Å; V788-I793 HydrophobicContact CG1-CD1 4.41Å; V788-I793 HydrophobicContact CG1-CG1 4.23Å; V788-T805 HydrophobicContact CB-CG2 4.38Å; V788-T805 HydrophobicContact CG2-CG2 3.85Å; V788-S806 PolarHBondContact N-O 2.75Å
789	N	33.2	Very low	34.1	Very low	101 Å²	101	58.5 Å²	58.5	54%	0.54	32%	0.323	S	S	.	.			trans	-62	142.3	174.3	-83.4	-38.8	0	0	0	110.7	Q791 W792	N789-Q791 VanDerWaalsContact C-N 3.27Å; N789-Q791 PolarHBondContact O-N 2.9Å; N789-Q791 VanDerWaalsContact O-N 3.14Å; N789-W792 HydrophobicContact CB-CG 4.26Å; N789-W792 VanDerWaalsContact CB-NE1 3.31Å; N789-W792 VanDerWaalsContact O-CB 3.27Å; N789-W792 WeakPolarHBondContact O-CB 3.47Å; N789-W792 PolarHBondContact O-N 2.82Å; N789-W792 VanDerWaalsContact O-N 3.12Å
790	E	31.7	Very low	34	Very low	133 Å²	133	55.4 Å²	55.4	62%	0.621	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-58.3	-30.1	-173.9	-69.8	-175.8	152.1	0	0	115	W792	E790-W792 PolarHBondContact O-N 2.94Å
791	Q	33.3	Very low	34.8	Very low	179 Å²	179	53.3 Å²	53.3	84%	0.836	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-65.2	-7.2	179.3	-76.9	-174.8	-14	0	0	114.1	N789	N789-Q791 VanDerWaalsContact C-N 3.27Å; N789-Q791 PolarHBondContact O-N 2.9Å; N789-Q791 VanDerWaalsContact O-N 3.14Å
792	W	34.1	Very low	35.2	Very low	30 Å²	30	50.4 Å²	50.4	11%	0.114	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-102.6	2.6	-166.7	-60.4	55.4	0	0	0	112.3	Q74 Q78 V788 N789 E790 V796	Q74-W792 HydrophobicContact CB-CH2 4.27Å; Q74-W792 HydrophobicContact CB-CZ3 4.21Å; Q74-W792 HydrophobicContact CG-CD2 4.3Å; Q74-W792 HydrophobicContact CG-CE3 3.9Å; Q74-W792 HydrophobicContact CG-CH2 3.71Å; Q74-W792 HydrophobicContact CG-CZ2 4.08Å; Q74-W792 HydrophobicContact CG-CZ3 3.64Å; Q74-W792 WeakPolarHBondContact O-CZ3 3.28Å; Q78-W792 HydrophobicContact CB-CE3 3.6Å; Q78-W792 HydrophobicContact CB-CH2 4.16Å; Q78-W792 HydrophobicContact CB-CZ3 3.32Å; Q78-W792 VanDerWaalsContact CD-CE3 3.49Å; Q78-W792 HydrophobicContact CG-CD2 3.72Å; Q78-W792 HydrophobicContact CG-CE3 3.23Å; Q78-W792 HydrophobicContact CG-CH2 3.82Å; Q78-W792 HydrophobicContact CG-CZ2 4.28Å; Q78-W792 HydrophobicContact CG-CZ3 3.22Å; V788-W792 HydrophobicContact CG1-CB 3.72Å; V788-W792 HydrophobicContact CG1-CG 4.2Å; N789-W792 HydrophobicContact CB-CG 4.26Å; N789-W792 VanDerWaalsContact CB-NE1 3.31Å; N789-W792 VanDerWaalsContact O-CB 3.27Å; N789-W792 WeakPolarHBondContact O-CB 3.47Å; N789-W792 PolarHBondContact O-N 2.82Å; N789-W792 VanDerWaalsContact O-N 3.12Å; E790-W792 PolarHBondContact O-N 2.94Å; W792-V796 WeakPolarHBondContact O-CB 3.35Å; W792-V796 WeakPolarHBondContact O-CG2 3.45Å
793	I	33.6	Very low	35.9	Very low	4 Å²	4	49.1 Å²	49.1	2%	0.021	25%	0.253	C	S	.	.			trans	-126.6	2.7	-163	-26.5	174.7	0	0	0	114.3	V788 N795 V796 F798 Q840 W842	V788-I793 HydrophobicContact CB-CD1 4.43Å; V788-I793 HydrophobicContact CG1-CD1 4.41Å; V788-I793 HydrophobicContact CG1-CG1 4.23Å; I793-N795 PolarHBondContact O-N 3.28Å; I793-V796 HydrophobicContact CG2-CB 4.21Å; I793-F798 HydrophobicContact CG2-CD2 4.4Å; I793-F798 HydrophobicContact CG2-CE2 3.2Å; I793-F798 HydrophobicContact CG2-CZ 3.54Å; I793-Q840 VanDerWaalsContact CD1-OE1 3.26Å; I793-W842 HydrophobicContact CB-CH2 3.58Å; I793-W842 HydrophobicContact CB-CZ2 3.36Å; I793-W842 HydrophobicContact CD1-CZ2 3.73Å; I793-W842 HydrophobicContact CG1-CZ2 4.13Å; I793-W842 HydrophobicContact CG2-CD2 4.1Å; I793-W842 VanDerWaalsContact CG2-CE2 3.42Å; I793-W842 HydrophobicContact CG2-CE3 4.34Å; I793-W842 HydrophobicContact CG2-CH2 3.23Å; I793-W842 HydrophobicContact CG2-CZ2 3Å; I793-W842 HydrophobicContact CG2-CZ3 3.93Å; I793-W842 VanDerWaalsContact O-CH2 3.25Å; I793-W842 WeakPolarHBondContact O-CH2 3.37Å
794	D	31.3	Very low	36.5	Very low	120 Å²	120	46.7 Å²	46.7	64%	0.642	24%	0.236	S	C	*	.	S	Bend	trans	-66.9	-19.6	172.9	-77.9	-17.6	0	0	0	112	R862	D794-R862 IonicContact OD1-NH1 3.77Å
795	N	31.8	Very low	37.2	Very low	100 Å²	100	44.2 Å²	44.2	54%	0.535	22%	0.223	S	C	.	.	S	Bend	trans	-138.4	12	167	-35.6	-80.9	0	0	0	116.3	D81 I793 E797	D81-N795 HydrophobicContact CB-CB 4.22Å; D81-N795 WeakPolarHBondContact OD1-CA 3.37Å; D81-N795 WeakPolarHBondContact OD1-CB 3.36Å; D81-N795 PolarHBondContact OD1-N 3.03Å; D81-N795 PolarHBondContact OD2-ND2 2.54Å; I793-N795 PolarHBondContact O-N 3.28Å; N795-E797 PolarHBondContact O-N 2.84Å
796	V	30	Very low	37.8	Very low	4 Å²	4	42.9 Å²	42.9	2%	0.024	22%	0.22	C	C	.	.			trans	-76.4	112.6	176	165.5	0	0	0	0	110.4	L77 D81 W792 I793 F798	L77-V796 HydrophobicContact CB-CG2 4.5Å; L77-V796 HydrophobicContact CD2-CG1 4.48Å; L77-V796 WeakPolarHBondContact O-CG2 3.02Å; D81-V796 PolarHBondContact OD1-N 3.01Å; W792-V796 WeakPolarHBondContact O-CB 3.35Å; W792-V796 WeakPolarHBondContact O-CG2 3.45Å; I793-V796 HydrophobicContact CG2-CB 4.21Å; V796-F798 PolarHBondContact O-N 3.46Å
797	E	38.2	Very low	38.2	Very low	17 Å²	17	39.9 Å²	39.9	8%	0.079	20%	0.2	C	C	.	.			trans	-64.5	120	174.7	-62.6	179.9	136	0	0	110.4	L80 I86 N795 Y799	L80-E797 HydrophobicContact CD2-CB 4.25Å; L80-E797 HydrophobicContact CD2-CG 4.19Å; I86-E797 HydrophobicContact CG1-CG 4.33Å; I86-E797 WeakPolarHBondContact CG1-OE1 3.45Å; N795-E797 PolarHBondContact O-N 2.84Å; E797-Y799 HydrophobicContact CB-CE1 3.94Å; E797-Y799 HydrophobicContact CB-CE2 4.41Å; E797-Y799 VanDerWaalsContact O-CD2 3.27Å; E797-Y799 WeakPolarHBondContact O-CD2 3.3Å; E797-Y799 WeakPolarHBondContact O-CE2 3.45Å; E797-Y799 PolarHBondContact O-N 2.96Å; E797-Y799 VanDerWaalsContact OE2-CE1 3.26Å; E797-Y799 WeakPolarHBondContact OE2-CE1 3.43Å; E797-Y799 PolarHBondContact OE2-OH 2.74Å
798	F	32.9	Very low	38.3	Very low	5 Å²	5	39.6 Å²	39.6	2%	0.022	21%	0.206	C	C	.	.			trans	-80	118.6	164.3	-68	-84.9	0	0	0	110.3	F785 I793 V796 N800 C803 T805 W842 L860	F785-F798 HydrophobicContact CD2-CD1 4.39Å; I793-F798 HydrophobicContact CG2-CD2 4.4Å; I793-F798 HydrophobicContact CG2-CE2 3.2Å; I793-F798 HydrophobicContact CG2-CZ 3.54Å; V796-F798 PolarHBondContact O-N 3.46Å; F798-N800 PolarHBondContact O-N 2.69Å; F798-N800 VanDerWaalsContact O-N 3.1Å; F798-C803 HydrophobicContact CB-CB 3.73Å; F798-C803 HydrophobicContact CD1-CB 3.18Å; F798-C803 WeakPolarHBondContact CD1-SG 3.43Å; F798-C803 HydrophobicContact CE1-CB 3.97Å; F798-C803 WeakPolarHBondContact CE1-SG 3.39Å; F798-C803 HydrophobicContact CG-CB 3.64Å; F798-T805 HydrophobicContact CE1-CG2 3.56Å; F798-T805 HydrophobicContact CZ-CG2 3.91Å; F798-W842 HydrophobicContact CB-CB 3.9Å; F798-W842 HydrophobicContact CD1-CB 4.21Å; F798-W842 HydrophobicContact CD1-CG 4.37Å; F798-W842 HydrophobicContact CD2-CB 3.12Å; F798-W842 AromaticContact CD2-CD1 3.73Å; F798-W842 AromaticContact CD2-CD2 3.46Å; F798-W842 HydrophobicContact CD2-CD2 3.46Å; F798-W842 VanDerWaalsContact CD2-CD2 3.46Å; F798-W842 AromaticContact CD2-CE3 3.83Å; F798-W842 HydrophobicContact CD2-CE3 3.83Å; F798-W842 AromaticContact CD2-CG 3.13Å; F798-W842 HydrophobicContact CD2-CG 3.13Å; F798-W842 AromaticContact CE1-CD1 3.86Å; F798-W842 HydrophobicContact CE1-CG 4.23Å; F798-W842 HydrophobicContact CE2-CB 3.59Å; F798-W842 AromaticContact CE2-CD1 3.18Å; F798-W842 AromaticContact CE2-CD2 3.06Å; F798-W842 HydrophobicContact CE2-CD2 3.06Å; F798-W842 AromaticContact CE2-CE2 3.33Å; F798-W842 AromaticContact CE2-CE3 3.69Å; F798-W842 HydrophobicContact CE2-CE3 3.69Å; F798-W842 AromaticContact CE2-CG 2.98Å; F798-W842 HydrophobicContact CE2-CG 2.98Å; F798-W842 HydrophobicContact CE2-CZ2 4.12Å; F798-W842 HydrophobicContact CE2-CZ3 4.33Å; F798-W842 AromaticContact CE2-NE1 3.39Å; F798-W842 HydrophobicContact CG-CB 3.44Å; F798-W842 VanDerWaalsContact CG-CB 3.44Å; F798-W842 AromaticContact CG-CG 3.82Å; F798-W842 HydrophobicContact CG-CG 3.82Å; F798-W842 HydrophobicContact CZ-CB 4.25Å; F798-W842 AromaticContact CZ-CD1 3.21Å; F798-W842 AromaticContact CZ-CD2 3.91Å; F798-W842 HydrophobicContact CZ-CD2 3.91Å; F798-W842 AromaticContact CZ-CE2 3.81Å; F798-W842 AromaticContact CZ-CG 3.56Å; F798-W842 HydrophobicContact CZ-CG 3.56Å; F798-W842 AromaticContact CZ-NE1 3.39Å; F798-L860 HydrophobicContact CB-CD1 4.11Å; F798-L860 HydrophobicContact CD2-CD1 4.31Å; F798-L860 HydrophobicContact CD2-CD2 3.95Å
799	Y	43.1	Very low	38.2	Very low	9 Å²	9	42.7 Å²	42.7	4%	0.035	23%	0.232	C	C	.	.	S	Bend	trans	-76.3	15.3	-177.6	-64.1	-64	0	0	0	114.4	L80 F92 I94 L99 T781 E797	L80-Y799 HydrophobicContact CD1-CE2 4.18Å; L80-Y799 WeakPolarHBondContact CD1-OH 3.3Å; L80-Y799 WeakPolarHBondContact CD2-OH 3.44Å; L80-Y799 WeakPolarHBondContact CG-OH 3.4Å; F92-Y799 AromaticContact CD2-CD1 3.78Å; F92-Y799 HydrophobicContact CD2-CD1 3.78Å; F92-Y799 HydrophobicContact CD2-CG 4.42Å; F92-Y799 VanDerWaalsContact CE2-CB 3.5Å; F92-Y799 AromaticContact CE2-CD1 3.77Å; F92-Y799 HydrophobicContact CE2-CD1 3.77Å; F92-Y799 HydrophobicContact CE2-CG 4.13Å; F92-Y799 WeakPolarHBondContact CE2-O 3.39Å; F92-Y799 HydrophobicContact CG-CD1 4.38Å; F92-Y799 VanDerWaalsContact CZ-C 3.43Å; F92-Y799 HydrophobicContact CZ-CD1 4.28Å; F92-Y799 WeakPolarHBondContact CZ-O 3.25Å; I94-Y799 HydrophobicContact CD1-CD2 3.77Å; I94-Y799 HydrophobicContact CD1-CG 3.83Å; L99-Y799 HydrophobicContact CD1-CD1 4.46Å; L99-Y799 HydrophobicContact CD1-CE1 4.32Å; L99-Y799 HydrophobicContact CD2-CE1 4.4Å; T781-Y799 PolarHBondContact OG1-O 2.86Å; E797-Y799 HydrophobicContact CB-CE1 3.94Å; E797-Y799 HydrophobicContact CB-CE2 4.41Å; E797-Y799 VanDerWaalsContact O-CD2 3.27Å; E797-Y799 WeakPolarHBondContact O-CD2 3.3Å; E797-Y799 WeakPolarHBondContact O-CE2 3.45Å; E797-Y799 PolarHBondContact O-N 2.96Å; E797-Y799 VanDerWaalsContact OE2-CE1 3.26Å; E797-Y799 WeakPolarHBondContact OE2-CE1 3.43Å; E797-Y799 PolarHBondContact OE2-OH 2.74Å
800	N	40.2	Very low	37.9	Very low	4 Å²	4	47.4 Å²	47.4	2%	0.021	25%	0.248	C	C	.	.	S	Bend	trans	-125.7	154.1	175.2	-67.8	-51.4	0	0	0	106.9	T781 V782 S783 F798 L802	T781-N800 WeakPolarHBondContact CB-OD1 3.45Å; T781-N800 VanDerWaalsContact O-CA 3.23Å; T781-N800 WeakPolarHBondContact O-CA 3.46Å; T781-N800 VanDerWaalsContact O-CB 3.24Å; T781-N800 WeakPolarHBondContact O-CB 3.42Å; T781-N800 PolarHBondContact O-OD1 2.72Å; V782-N800 PolarHBondContact N-OD1 3.05Å; S783-N800 WeakPolarHBondContact CA-ND2 3.47Å; S783-N800 WeakPolarHBondContact CB-ND2 3.28Å; S783-N800 PolarHBondContact N-ND2 2.83Å; S783-N800 PolarHBondContact N-OD1 3Å; S783-N800 PolarHBondContact O-ND2 2.92Å; S783-N800 VanDerWaalsContact OG-CG 3.24Å; S783-N800 PolarHBondContact OG-ND2 3.05Å; S783-N800 PolarHBondContact OG-OD1 2.75Å; F798-N800 PolarHBondContact O-N 2.69Å; F798-N800 VanDerWaalsContact O-N 3.1Å; N800-L802 WeakPolarHBondContact CB-O 3.24Å; N800-L802 PolarHBondContact O-N 2.71Å
801	Q	49.3	Very low	37.7	Very low	14 Å²	14	45.7 Å²	45.7	7%	0.065	25%	0.251	C	S	.	.	S	Bend	trans	-57.2	-24	165.3	-66.3	167.3	34.5	0	0	110.5	I775 N776 T779 T781 I843 R844	I775-Q801 HydrophobicContact CG2-CB 4.01Å; I775-Q801 HydrophobicContact CG2-CG 4.28Å; N776-Q801 PolarHBondContact O-NE2 3.32Å; N776-Q801 PolarHBondContact O-OE1 3.06Å; T779-Q801 PolarHBondContact OG1-NE2 2.75Å; T781-Q801 PolarHBondContact O-N 2.84Å; T781-Q801 VanDerWaalsContact O-N 3.11Å; Q801-I843 VanDerWaalsContact O-CA 3.3Å; Q801-I843 WeakPolarHBondContact O-CA 3.24Å; Q801-R844 PolarHBondContact O-N 2.87Å
802	L	46.4	Very low	37.3	Very low	1 Å²	1	42.1 Å²	42.1	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	121.4	-177.1	-84.2	137.8	0	0	0	111.2	C715 V717 L722 V782 N800 L841 W842 I843	C715-L802 HydrophobicContact CB-CD1 4.15Å; C715-L802 HydrophobicContact CB-CD2 4.22Å; V717-L802 HydrophobicContact CG2-CD1 3.46Å; V717-L802 VanDerWaalsContact CG2-CD1 3.46Å; L722-L802 HydrophobicContact CD1-CD1 3.7Å; L722-L802 HydrophobicContact CD1-CD2 3.63Å; L722-L802 HydrophobicContact CD1-CG 4.17Å; L722-L802 HydrophobicContact CD2-CD2 3.37Å; L722-L802 HydrophobicContact CD2-CG 4.45Å; L722-L802 HydrophobicContact CG-CD2 4.11Å; V782-L802 HydrophobicContact CB-CB 4.41Å; V782-L802 HydrophobicContact CG1-CB 3.67Å; V782-L802 WeakPolarHBondContact CG1-O 3.31Å; V782-L802 HydrophobicContact CG2-CB 4Å; V782-L802 HydrophobicContact CG2-CD1 4.34Å; N800-L802 WeakPolarHBondContact CB-O 3.24Å; N800-L802 PolarHBondContact O-N 2.71Å; L802-L841 HydrophobicContact CD2-CD1 3.71Å; L802-L841 HydrophobicContact CD2-CD2 3.63Å; L802-L841 HydrophobicContact CD2-CG 4.11Å; L802-W842 CarbonylContact C-O 3.51Å; L802-W842 VanDerWaalsContact CA-O 3.3Å; L802-W842 WeakPolarHBondContact CA-O 3.42Å; L802-I843 HydrophobicContact CD2-CG1 4.22Å
803	C	51	Low	36.9	Very low	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.7	167.8	175.4	0	0	0	0	110.4	S783 F785 F798 L841 W842	S783-C803 WeakPolarHBondContact O-CA 3.17Å; F785-C803 VanDerWaalsContact CD2-SG 3.53Å; F798-C803 HydrophobicContact CB-CB 3.73Å; F798-C803 HydrophobicContact CD1-CB 3.18Å; F798-C803 WeakPolarHBondContact CD1-SG 3.43Å; F798-C803 HydrophobicContact CE1-CB 3.97Å; F798-C803 WeakPolarHBondContact CE1-SG 3.39Å; F798-C803 HydrophobicContact CG-CB 3.64Å; C803-L841 CarbonylContact O-C 3.56Å; C803-L841 VanDerWaalsContact O-CA 3.31Å; C803-L841 WeakPolarHBondContact O-CA 3.45Å; C803-L841 WeakPolarHBondContact O-CD1 3.35Å; C803-W842 HydrophobicContact CB-CB 4.45Å; C803-W842 PolarHBondContact N-O 3.14Å; C803-W842 PolarHBondContact O-N 2.77Å
804	L	43.8	Very low	36.5	Very low	1 Å²	1	55.1 Å²	55.1	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.3	170.3	-166.9	97.2	0	0	0	109.3	L704 V706 V713 L784 F785 Y839 Q840 L841 L865	L704-L804 HydrophobicContact CD1-CB 4.02Å; V706-L804 HydrophobicContact CB-CD2 4.03Å; V706-L804 HydrophobicContact CG1-CD2 3.6Å; V706-L804 HydrophobicContact CG2-CD2 3.24Å; V713-L804 HydrophobicContact CG2-CD2 4.38Å; L784-L804 HydrophobicContact CD2-CB 4.13Å; L784-L804 HydrophobicContact CD2-CD2 4.05Å; F785-L804 PolarHBondContact N-O 3.13Å; L804-Y839 HydrophobicContact CD2-CD1 4.13Å; L804-Y839 HydrophobicContact CD2-CG 4.44Å; L804-Q840 CarbonylContact C-O 3.57Å; L804-Q840 WeakPolarHBondContact CA-O 3Å; L804-L841 HydrophobicContact CB-CD1 4.2Å; L804-L841 HydrophobicContact CD1-CB 4.23Å; L804-L841 HydrophobicContact CD1-CD1 4.1Å; L804-L865 HydrophobicContact CD1-CD1 3.5Å
805	T	46.1	Very low	36.2	Very low	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141	172	53.6	0	0	0	0	110.1	F785 V788 F798 Y839 Q840	F785-T805 HydrophobicContact CB-CG2 3.98Å; F785-T805 WeakPolarHBondContact O-CA 3.32Å; V788-T805 HydrophobicContact CB-CG2 4.38Å; V788-T805 HydrophobicContact CG2-CG2 3.85Å; F798-T805 HydrophobicContact CE1-CG2 3.56Å; F798-T805 HydrophobicContact CZ-CG2 3.91Å; T805-Y839 CarbonylContact O-C 3.58Å; T805-Y839 VanDerWaalsContact O-CA 3.24Å; T805-Y839 WeakPolarHBondContact O-CA 3.29Å; T805-Q840 PolarHBondContact N-O 3.2Å; T805-Q840 PolarHBondContact O-N 3.34Å; T805-Q840 PolarHBondContact OG1-O 2.79Å
806	S	44.7	Very low	35.9	Very low	21 Å²	21	58.1 Å²	58.1	15%	0.147	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	144.1	170.1	-177.3	0	0	0	0	110.4	E787 V788 Y839	E787-S806 VanDerWaalsContact CA-O 3.28Å; E787-S806 WeakPolarHBondContact CA-O 3.22Å; V788-S806 PolarHBondContact N-O 2.75Å; S806-Y839 WeakPolarHBondContact OG-CE1 3.24Å
807	C	40.2	Very low	35.7	Very low	17 Å²	17	66.1 Å²	66.1	12%	0.115	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	104.8	165.3	-63.1	0	0	0	0	107.2	A809 T838	C807-A809 PolarHBondContact O-N 2.74Å; C807-A809 VanDerWaalsContact O-N 3.09Å; C807-T838 WeakPolarHBondContact CA-O 3.43Å; C807-T838 WeakPolarHBondContact CB-O 3.5Å; C807-T838 PolarHBondContact N-O 3.3Å; C807-T838 PolarHBondContact O-N 2.92Å
808	S	36.2	Very low	35.1	Very low	63 Å²	63	71.6 Å²	71.6	44%	0.441	39%	0.391	S	S	.	.			trans	-77.1	92.6	165.3	51.2	0	0	0	0	108.8	E787 K810	E787-S808 WeakPolarHBondContact OE1-CB 3.2Å; E787-S808 PolarHBondContact OE1-OG 3.45Å; S808-K810 PolarHBondContact O-N 2.76Å
809	A	30.9	Very low	34.7	Very low	73 Å²	73	78.9 Å²	78.9	60%	0.603	43%	0.43	S	S	*	.			trans	-63.4	108.9	162.8	0	0	0	0	0	107.1	C807 S811	C807-A809 PolarHBondContact O-N 2.74Å; C807-A809 VanDerWaalsContact O-N 3.09Å; A809-S811 PolarHBondContact O-N 3.06Å
810	K	27.7	Very low	33.9	Very low	201 Å²	201	82.8 Å²	82.8	87%	0.874	46%	0.459	S	S	*	.			trans	-60.3	93.9	161.3	-76	-178.2	-179.5	177.1	0	106	S808 S812	S808-K810 PolarHBondContact O-N 2.76Å; K810-S812 PolarHBondContact O-N 3.4Å
811	S	26.6	Very low	33.2	Very low	97 Å²	97	91.7 Å²	91.7	68%	0.678	50%	0.5	S	S	*	.			trans	-62.2	96.7	167.8	58.1	0	0	0	0	106.2	A809 I813	A809-S811 PolarHBondContact O-N 3.06Å; S811-I813 PolarHBondContact O-N 2.73Å
812	S	24	Very low	32.2	Very low	104 Å²	104	96.1 Å²	96.1	73%	0.727	53%	0.528	S	S	*	.			trans	-63.4	90.2	165.4	55.1	0	0	0	0	106	K810 Q814	K810-S812 PolarHBondContact O-N 3.4Å; S812-Q814 PolarHBondContact O-N 3.21Å
813	I	26.5	Very low	31.1	Very low	138 Å²	138	103.7 Å²	103.7	71%	0.708	57%	0.568	S	S	*	*			trans	-63.1	100.3	161.3	-61.3	170.1	0	0	0	102.8	S811 E815	S811-I813 PolarHBondContact O-N 2.73Å; I813-E815 PolarHBondContact O-N 2.83Å
814	Q	25.3	Very low	30.1	Very low	168 Å²	168	111.8 Å²	111.8	79%	0.785	61%	0.606	S	S	*	*			trans	-55	103.5	162.2	-95.3	174.8	-15	0	0	104.7	S812 V816	S812-Q814 PolarHBondContact O-N 3.21Å; Q814-V816 PolarHBondContact O-N 3.23Å
815	E	24.9	Very low	29.2	Very low	179 Å²	179	121.7 Å²	121.7	84%	0.836	65%	0.652	S	S	*	*			trans	-57	90.5	160.2	-72.1	-180	158.1	0	0	105.3	I813 E817	I813-E815 PolarHBondContact O-N 2.83Å; E815-E817 PolarHBondContact O-N 3.2Å
816	V	26.1	Very low	28.1	Very low	104 Å²	104	124.5 Å²	124.5	63%	0.63	68%	0.681	S	S	*	*			trans	-66.8	100.1	163.1	177.7	0	0	0	0	103.6	Q814 N818	Q814-V816 PolarHBondContact O-N 3.23Å; V816-N818 PolarHBondContact O-N 2.82Å
817	E	24.9	Very low	27.1	Very low	173 Å²	173	133 Å²	133	81%	0.808	72%	0.715	S	S	*	*			trans	-51	82.7	165.3	-76.6	176.1	143.9	0	0	108.6	E815 D819	E815-E817 PolarHBondContact O-N 3.2Å; E817-D819 VanDerWaalsContact C-N 3.31Å; E817-D819 PolarHBondContact O-N 3.24Å
818	N	25.5	Very low	26.3	Very low	132 Å²	132	141.9 Å²	141.9	71%	0.706	75%	0.752	S	S	*	*			trans	-87.3	87.8	163	-80	-22.8	0	0	0	106.2	V816 S820	V816-N818 PolarHBondContact O-N 2.82Å; N818-S820 PolarHBondContact O-N 3.07Å
819	D	24.2	Very low	25.7	Very low	157 Å²	157	147.2 Å²	147.2	84%	0.84	77%	0.77	S	S	*	*			trans	-54	84.6	161.1	-84	-28	0	0	0	109.6	E817	E817-D819 VanDerWaalsContact C-N 3.31Å; E817-D819 PolarHBondContact O-N 3.24Å
820	S	27.9	Very low	25.4	Very low	92 Å²	92	152.3 Å²	152.3	64%	0.643	78%	0.781	S	S	*	*			trans	-144.1	98.4	161.9	66.3	0	0	0	0	109.7	N818 V822	N818-S820 PolarHBondContact O-N 3.07Å; S820-V822 PolarHBondContact O-N 3.28Å
821	H	25.1	Very low	25.2	Very low	190 Å²	190	151.6 Å²	151.6	88%	0.88	78%	0.778	S	S	*	*			trans	-48.9	100.7	165.2	-69	-78.5	0	0	0	111.6
822	V	28.6	Very low	25.2	Very low	107 Å²	107	154.1 Å²	154.1	65%	0.648	78%	0.783	S	S	*	*			trans	-140.6	108.7	155.1	-174.9	0	0	0	0	108.5	S820 H824	S820-V822 PolarHBondContact O-N 3.28Å; V822-H824 PolarHBondContact O-N 3.49Å; V822-H824 VanDerWaalsContact O-N 3.08Å
823	N	23.7	Very low	25.4	Very low	161 Å²	161	156.2 Å²	156.2	86%	0.861	79%	0.786	S	S	*	*			trans	-60.7	103.3	170.8	-73.5	-22.9	0	0	0	109.8
824	H	29.3	Very low	25.6	Very low	169 Å²	169	158.7 Å²	158.7	78%	0.782	79%	0.786	S	S	*	*			trans	-124.3	104.1	156.8	-85.9	-58.5	0	0	0	109	V822 G826	V822-H824 PolarHBondContact O-N 3.49Å; V822-H824 VanDerWaalsContact O-N 3.08Å; H824-G826 PolarHBondContact O-N 3.14Å
825	E	24	Very low	26	Very low	210 Å²	210	159.6 Å²	159.6	98%	0.981	78%	0.783	S	S	*	*			trans	-62.7	75.3	162.3	-68.5	178.8	151.3	0	0	109.1
826	G	24	Very low	26.7	Very low	58 Å²	58	156.6 Å²	156.6	60%	0.598	77%	0.769	S	S	*	*			trans	-106.1	121.8	171.7	0	0	0	0	0	108.7	H824 K828	H824-G826 PolarHBondContact O-N 3.14Å; G826-K828 PolarHBondContact O-N 2.8Å
827	K	24	Very low	27.7	Very low	201 Å²	201	152.1 Å²	152.1	87%	0.874	74%	0.743	S	S	*	*			trans	-32.4	121.4	176.2	-67.5	171.5	176.3	176.4	0	111.9	E829	K827-E829 PolarHBondContact O-N 3.09Å
828	K	23.9	Very low	28.9	Very low	203 Å²	203	145.7 Å²	145.7	88%	0.883	72%	0.716	S	S	*	*			trans	-61.3	90	167.1	-70.7	-179.4	178.8	179.6	0	107.9	G826 E830	G826-K828 PolarHBondContact O-N 2.8Å; K828-E830 PolarHBondContact O-N 3.46Å
829	E	23	Very low	30.2	Very low	174 Å²	174	139.6 Å²	139.6	81%	0.813	68%	0.683	S	S	*	*			trans	-60.8	108.6	157.6	-76.8	-177.8	163.9	0	0	105.7	K827 K831	K827-E829 PolarHBondContact O-N 3.09Å; E829-K831 PolarHBondContact O-N 2.94Å
830	E	23.8	Very low	31.7	Very low	181 Å²	181	132.3 Å²	132.3	85%	0.846	64%	0.644	S	S	*	*			trans	-56.3	91.9	168	-71.4	178.6	161.2	0	0	107.1	K828 L832	K828-E830 PolarHBondContact O-N 3.46Å; E830-L832 PolarHBondContact O-N 3.04Å
831	K	24.4	Very low	33	Very low	185 Å²	185	128 Å²	128	80%	0.804	61%	0.613	S	S	*	*			trans	-61	89.8	163.4	-75.9	-177.7	177.6	179.9	0	105.5	E829 N833	E829-K831 PolarHBondContact O-N 2.94Å; K831-N833 VanDerWaalsContact C-N 3.34Å; K831-N833 PolarHBondContact O-N 2.77Å
832	L	26.3	Very low	34.5	Very low	150 Å²	150	119.5 Å²	119.5	79%	0.785	57%	0.574	S	S	*	*			trans	-44.4	107.2	161.8	-86.8	150.8	0	0	0	105.7	E830 R834	E830-L832 PolarHBondContact O-N 3.04Å; L832-R834 PolarHBondContact O-N 2.66Å
833	N	28	Very low	35.8	Very low	148 Å²	148	114.4 Å²	114.4	79%	0.791	54%	0.543	S	S	*	.			trans	-60.7	82.4	175.9	-81.8	-32.8	0	0	0	107.4	K831 R835	K831-N833 VanDerWaalsContact C-N 3.34Å; K831-N833 PolarHBondContact O-N 2.77Å; N833-R835 PolarHBondContact O-N 3.31Å
834	R	30.3	Very low	37.3	Very low	190 Å²	190	108.5 Å²	108.5	72%	0.717	51%	0.508	S	S	*	.			trans	-67.2	88.7	171.1	-75.5	-178.2	175.7	177.5	-2.7	105.6	L832 Q836	L832-R834 PolarHBondContact O-N 2.66Å; R834-Q836 PolarHBondContact O-N 3.46Å
835	R	34.2	Very low	38.5	Very low	187 Å²	187	100.4 Å²	100.4	71%	0.706	47%	0.471	S	S	*	.			trans	-57.6	111.7	178.1	-71.7	-177.4	177.2	-180	0.5	107.5	N833 G837	N833-R835 PolarHBondContact O-N 3.31Å; R835-G837 VanDerWaalsContact C-N 3.27Å; R835-G837 PolarHBondContact O-N 3.19Å
836	Q	39.8	Very low	40	Very low	117 Å²	117	91.5 Å²	91.5	55%	0.547	43%	0.431	S	S	.	.			trans	-64.5	96.9	157.8	-78.6	175.1	-12.8	0	0	106	R834 T838	R834-Q836 PolarHBondContact O-N 3.46Å; Q836-T838 PolarHBondContact O-N 3.48Å
837	G	47.2	Very low	41.4	Very low	9 Å²	9	90.6 Å²	90.6	9%	0.093	41%	0.411	C	S	.	.			trans	-74.5	120.8	171.9	0	0	0	0	0	108.5	R835 Y839	R835-G837 VanDerWaalsContact C-N 3.27Å; R835-G837 PolarHBondContact O-N 3.19Å; G837-Y839 VanDerWaalsContact O-CD2 3.27Å; G837-Y839 WeakPolarHBondContact O-CD2 3.46Å; G837-Y839 WeakPolarHBondContact O-CE2 3.4Å
838	T	49.4	Very low	42.8	Very low	38 Å²	38	85.9 Å²	85.9	23%	0.233	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.5	162.3	-48.9	0	0	0	0	105.7	C807 Q836 E866	C807-T838 WeakPolarHBondContact CA-O 3.43Å; C807-T838 WeakPolarHBondContact CB-O 3.5Å; C807-T838 PolarHBondContact N-O 3.3Å; C807-T838 PolarHBondContact O-N 2.92Å; Q836-T838 PolarHBondContact O-N 3.48Å; T838-E866 HydrophobicContact CG2-CG 4.31Å
839	Y	53.6	Low	44.2	Very low	5 Å²	5	80.9 Å²	80.9	2%	0.02	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.7	178.5	-61.7	-88.3	0	0	0	109.1	V706 L804 T805 S806 G837 L865 F867	V706-Y839 HydrophobicContact CB-CE1 4.34Å; V706-Y839 HydrophobicContact CG1-CD1 3.49Å; V706-Y839 VanDerWaalsContact CG1-CD1 3.49Å; V706-Y839 HydrophobicContact CG1-CE1 3.05Å; V706-Y839 HydrophobicContact CG1-CG 4.5Å; L804-Y839 HydrophobicContact CD2-CD1 4.13Å; L804-Y839 HydrophobicContact CD2-CG 4.44Å; T805-Y839 CarbonylContact O-C 3.58Å; T805-Y839 VanDerWaalsContact O-CA 3.24Å; T805-Y839 WeakPolarHBondContact O-CA 3.29Å; S806-Y839 WeakPolarHBondContact OG-CE1 3.24Å; G837-Y839 VanDerWaalsContact O-CD2 3.27Å; G837-Y839 WeakPolarHBondContact O-CD2 3.46Å; G837-Y839 WeakPolarHBondContact O-CE2 3.4Å; Y839-L865 PolarHBondContact N-O 3.19Å; Y839-L865 WeakPolarHBondContact O-CA 3.29Å; Y839-L865 WeakPolarHBondContact O-CB 3.48Å; Y839-L865 PolarHBondContact O-N 3.45Å; Y839-F867 AromaticContact CD2-CD2 3.26Å; Y839-F867 HydrophobicContact CD2-CD2 3.26Å; Y839-F867 AromaticContact CD2-CE2 3.3Å; Y839-F867 HydrophobicContact CD2-CE2 3.3Å; Y839-F867 AromaticContact CE2-CD2 3.52Å; Y839-F867 HydrophobicContact CE2-CD2 3.52Å; Y839-F867 AromaticContact CE2-CE2 3.86Å; Y839-F867 HydrophobicContact CE2-CE2 3.86Å; Y839-F867 HydrophobicContact CG-CD2 4.35Å; Y839-F867 AromaticContact CG-CE2 3.98Å; Y839-F867 HydrophobicContact CG-CE2 3.98Å
840	Q	54.2	Low	45.4	Very low	4 Å²	4	81.8 Å²	81.8	2%	0.019	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.2	174.8	-61.8	-176.9	-12.7	0	0	108.8	I793 L804 T805 D864	I793-Q840 VanDerWaalsContact CD1-OE1 3.26Å; L804-Q840 CarbonylContact C-O 3.57Å; L804-Q840 WeakPolarHBondContact CA-O 3Å; T805-Q840 PolarHBondContact N-O 3.2Å; T805-Q840 PolarHBondContact O-N 3.34Å; T805-Q840 PolarHBondContact OG1-O 2.79Å; Q840-D864 WeakPolarHBondContact CG-OD1 3.19Å
841	L	56.4	Low	46.4	Very low	0 Å²	0	81.7 Å²	81.7	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.9	170.9	-175.8	78.5	0	0	0	110.3	L722 I724 I767 L802 C803 L804 I843 V863 L865	L722-L841 HydrophobicContact CD2-CD2 3.34Å; I724-L841 HydrophobicContact CD1-CB 4.47Å; I724-L841 HydrophobicContact CD1-CD2 3.23Å; I724-L841 HydrophobicContact CD1-CG 4.39Å; I724-L841 HydrophobicContact CG1-CD2 3.99Å; I767-L841 HydrophobicContact CD1-CD2 3.94Å; L802-L841 HydrophobicContact CD2-CD1 3.71Å; L802-L841 HydrophobicContact CD2-CD2 3.63Å; L802-L841 HydrophobicContact CD2-CG 4.11Å; C803-L841 CarbonylContact O-C 3.56Å; C803-L841 VanDerWaalsContact O-CA 3.31Å; C803-L841 WeakPolarHBondContact O-CA 3.45Å; C803-L841 WeakPolarHBondContact O-CD1 3.35Å; L804-L841 HydrophobicContact CB-CD1 4.2Å; L804-L841 HydrophobicContact CD1-CB 4.23Å; L804-L841 HydrophobicContact CD1-CD1 4.1Å; L841-I843 HydrophobicContact CD2-CD1 3.81Å; L841-I843 HydrophobicContact CD2-CG1 3.72Å; L841-I843 HydrophobicContact CG-CG1 4.1Å; L841-V863 PolarHBondContact N-O 2.99Å; L841-V863 PolarHBondContact O-N 3.02Å; L841-L865 HydrophobicContact CB-CD1 4.01Å; L841-L865 HydrophobicContact CB-CG 4.27Å
842	W	55.8	Low	47.2	Very low	12 Å²	12	79.8 Å²	79.8	5%	0.045	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.7	177	-64.2	90.2	0	0	0	110.6	I793 F798 L802 C803 L860 F861 R862	I793-W842 HydrophobicContact CB-CH2 3.58Å; I793-W842 HydrophobicContact CB-CZ2 3.36Å; I793-W842 HydrophobicContact CD1-CZ2 3.73Å; I793-W842 HydrophobicContact CG1-CZ2 4.13Å; I793-W842 HydrophobicContact CG2-CD2 4.1Å; I793-W842 VanDerWaalsContact CG2-CE2 3.42Å; I793-W842 HydrophobicContact CG2-CE3 4.34Å; I793-W842 HydrophobicContact CG2-CH2 3.23Å; I793-W842 HydrophobicContact CG2-CZ2 3Å; I793-W842 HydrophobicContact CG2-CZ3 3.93Å; I793-W842 VanDerWaalsContact O-CH2 3.25Å; I793-W842 WeakPolarHBondContact O-CH2 3.37Å; F798-W842 HydrophobicContact CB-CB 3.9Å; F798-W842 HydrophobicContact CD1-CB 4.21Å; F798-W842 HydrophobicContact CD1-CG 4.37Å; F798-W842 HydrophobicContact CD2-CB 3.12Å; F798-W842 AromaticContact CD2-CD1 3.73Å; F798-W842 AromaticContact CD2-CD2 3.46Å; F798-W842 HydrophobicContact CD2-CD2 3.46Å; F798-W842 VanDerWaalsContact CD2-CD2 3.46Å; F798-W842 AromaticContact CD2-CE3 3.83Å; F798-W842 HydrophobicContact CD2-CE3 3.83Å; F798-W842 AromaticContact CD2-CG 3.13Å; F798-W842 HydrophobicContact CD2-CG 3.13Å; F798-W842 AromaticContact CE1-CD1 3.86Å; F798-W842 HydrophobicContact CE1-CG 4.23Å; F798-W842 HydrophobicContact CE2-CB 3.59Å; F798-W842 AromaticContact CE2-CD1 3.18Å; F798-W842 AromaticContact CE2-CD2 3.06Å; F798-W842 HydrophobicContact CE2-CD2 3.06Å; F798-W842 AromaticContact CE2-CE2 3.33Å; F798-W842 AromaticContact CE2-CE3 3.69Å; F798-W842 HydrophobicContact CE2-CE3 3.69Å; F798-W842 AromaticContact CE2-CG 2.98Å; F798-W842 HydrophobicContact CE2-CG 2.98Å; F798-W842 HydrophobicContact CE2-CZ2 4.12Å; F798-W842 HydrophobicContact CE2-CZ3 4.33Å; F798-W842 AromaticContact CE2-NE1 3.39Å; F798-W842 HydrophobicContact CG-CB 3.44Å; F798-W842 VanDerWaalsContact CG-CB 3.44Å; F798-W842 AromaticContact CG-CG 3.82Å; F798-W842 HydrophobicContact CG-CG 3.82Å; F798-W842 HydrophobicContact CZ-CB 4.25Å; F798-W842 AromaticContact CZ-CD1 3.21Å; F798-W842 AromaticContact CZ-CD2 3.91Å; F798-W842 HydrophobicContact CZ-CD2 3.91Å; F798-W842 AromaticContact CZ-CE2 3.81Å; F798-W842 AromaticContact CZ-CG 3.56Å; F798-W842 HydrophobicContact CZ-CG 3.56Å; F798-W842 AromaticContact CZ-NE1 3.39Å; L802-W842 CarbonylContact C-O 3.51Å; L802-W842 VanDerWaalsContact CA-O 3.3Å; L802-W842 WeakPolarHBondContact CA-O 3.42Å; C803-W842 HydrophobicContact CB-CB 4.45Å; C803-W842 PolarHBondContact N-O 3.14Å; C803-W842 PolarHBondContact O-N 2.77Å; W842-L860 HydrophobicContact CD2-CD2 4.37Å; W842-L860 HydrophobicContact CE3-CD2 3.32Å; W842-L860 HydrophobicContact CE3-CG 3.73Å; W842-L860 HydrophobicContact CZ3-CD2 3.54Å; W842-L860 HydrophobicContact CZ3-CG 4.25Å; W842-F861 CarbonylContact C-O 3.55Å; W842-F861 WeakPolarHBondContact CA-O 3.16Å; W842-R862 HydrophobicContact CD2-CB 4.19Å; W842-R862 HydrophobicContact CD2-CG 4.12Å; W842-R862 HydrophobicContact CE3-CB 3.82Å; W842-R862 HydrophobicContact CE3-CG 4.21Å; W842-R862 HydrophobicContact CH2-CB 3.85Å; W842-R862 HydrophobicContact CH2-CG 3.79Å; W842-R862 HydrophobicContact CZ2-CB 4.09Å; W842-R862 HydrophobicContact CZ2-CG 3.54Å; W842-R862 HydrophobicContact CZ3-CB 3.7Å; W842-R862 HydrophobicContact CZ3-CG 4.11Å
843	I	56.9	Low	48	Very low	0 Å²	0	80 Å²	80	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.3	-173.6	-55.6	161.1	0	0	0	109.1	L722 I767 L769 I775 Q801 L802 L841 L860 F861	L722-I843 HydrophobicContact CB-CD1 4.41Å; L722-I843 HydrophobicContact CD2-CD1 3.34Å; L722-I843 HydrophobicContact CD2-CG1 3.78Å; I767-I843 HydrophobicContact CB-CD1 3.91Å; I767-I843 HydrophobicContact CD1-CD1 3.6Å; I767-I843 HydrophobicContact CG1-CD1 4.36Å; I767-I843 HydrophobicContact CG2-CD1 3.51Å; L769-I843 HydrophobicContact CD2-CG2 4.16Å; I775-I843 HydrophobicContact CD1-CG2 3.93Å; I775-I843 HydrophobicContact CG1-CG2 4.23Å; Q801-I843 VanDerWaalsContact O-CA 3.3Å; Q801-I843 WeakPolarHBondContact O-CA 3.24Å; L802-I843 HydrophobicContact CD2-CG1 4.22Å; L841-I843 HydrophobicContact CD2-CD1 3.81Å; L841-I843 HydrophobicContact CD2-CG1 3.72Å; L841-I843 HydrophobicContact CG-CG1 4.1Å; I843-L860 CarbonylContact O-C 3.56Å; I843-L860 WeakPolarHBondContact O-CA 3.47Å; I843-F861 HydrophobicContact CB-CB 4.29Å; I843-F861 PolarHBondContact N-O 2.76Å; I843-F861 PolarHBondContact O-N 3.27Å
844	R	54	Low	48.7	Very low	37 Å²	37	79.3 Å²	79.3	14%	0.14	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.4	174.5	-172.1	177	176.1	152.5	0.3	110.7	Q801 S858 L860	Q801-R844 PolarHBondContact O-N 2.87Å; R844-S858 VanDerWaalsContact NE-CB 3.26Å; R844-S858 PolarHBondContact NE-OG 3.08Å; R844-S858 PolarHBondContact NH2-OG 3.18Å; R844-L860 HydrophobicContact CB-CD1 4.41Å
845	G	54.7	Low	49.3	Very low	0 Å²	0	76.1 Å²	76.1	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.7	168.8	0	0	0	0	0	111.4	Y773 S858 K859	Y773-G845 WeakPolarHBondContact CD1-O 3.49Å; G845-S858 CarbonylContact O-C 3.5Å; G845-S858 VanDerWaalsContact O-CA 3.22Å; G845-S858 WeakPolarHBondContact O-CA 3.5Å; G845-K859 PolarHBondContact N-O 2.59Å; G845-K859 PolarHBondContact O-N 3.03Å
846	T	56.4	Low	50	Low	23 Å²	23	72 Å²	72	14%	0.141	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.6	172	29.8	0	0	0	0	110.4	Y773 V774 I856	Y773-T846 CarbonylContact C-O 3.53Å; Y773-T846 WeakPolarHBondContact CA-O 3.45Å; V774-T846 PolarHBondContact N-O 3.42Å; V774-T846 PolarHBondContact O-N 3.39Å; V774-T846 PolarHBondContact O-OG1 2.92Å; T846-I856 HydrophobicContact CG2-CG2 3.61Å
847	K	53.9	Low	50.4	Low	39 Å²	39	69.2 Å²	69.2	17%	0.17	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	126.3	176.4	-163.3	-173.4	-171.2	-170.6	0	108.7	P772 Y773 E849 Q857	P772-K847 HydrophobicContact CB-CG 3.94Å; P772-K847 HydrophobicContact CG-CD 4.27Å; P772-K847 HydrophobicContact CG-CG 3.7Å; Y773-K847 HydrophobicContact CD1-CB 3.98Å; Y773-K847 HydrophobicContact CE1-CB 3.81Å; K847-E849 HydrophobicContact CD-CG 3.94Å; K847-E849 WeakPolarHBondContact CE-OE1 3.48Å; K847-E849 HydrophobicContact CG-CG 4.15Å; K847-E849 IonicContact NZ-OE1 2.82Å; K847-E849 PolarHBondContact NZ-OE1 3.1Å; K847-Q857 HydrophobicContact CB-CB 3.94Å; K847-Q857 VanDerWaalsContact CB-O 3.25Å; K847-Q857 WeakPolarHBondContact CB-O 3.49Å; K847-Q857 HydrophobicContact CD-CB 4.07Å; K847-Q857 PolarHBondContact N-O 2.84Å
848	I	53.4	Low	50.6	Low	101 Å²	101	70 Å²	70	52%	0.518	35%	0.349	S	S	.	.			trans	-102.8	93	172.2	-52.1	-179.9	0	0	0	106.6	P772 V774	P772-I848 PolarHBondContact O-N 2.98Å; V774-I848 HydrophobicContact CB-CD1 3.79Å; V774-I848 HydrophobicContact CB-CG1 4.18Å; V774-I848 HydrophobicContact CG1-CD1 4Å; V774-I848 HydrophobicContact CG2-CD1 3.64Å; V774-I848 HydrophobicContact CG2-CG1 4.04Å
849	E	52.1	Low	50.7	Low	98 Å²	98	73.4 Å²	73.4	46%	0.458	36%	0.361	S	S	.	.			trans	-79.5	134.2	168.2	-73.8	-169.9	155.7	0	0	109.6	K847	K847-E849 HydrophobicContact CD-CG 3.94Å; K847-E849 WeakPolarHBondContact CE-OE1 3.48Å; K847-E849 HydrophobicContact CG-CG 4.15Å; K847-E849 IonicContact NZ-OE1 2.82Å; K847-E849 PolarHBondContact NZ-OE1 3.1Å
850	Q	48	Very low	50.6	Low	193 Å²	193	75.8 Å²	75.8	90%	0.902	37%	0.374	S	S	*	.	S	Bend	trans	-93.5	-9	-174.7	-84	-174.5	-15.9	0	0	114.1
851	Q	45.1	Very low	50.7	Low	179 Å²	179	77.1 Å²	77.1	84%	0.836	38%	0.38	S	S	*	.	S	Bend	trans	-121	-31.1	-159.7	-98	-176.8	-20.9	0	0	118.9
852	D	42.1	Very low	50.6	Low	145 Å²	145	83 Å²	83	78%	0.775	40%	0.402	S	S	*	.	S	Bend	trans	-174.4	153.8	172.1	-93.5	-43.1	0	0	0	107.6
853	E	43.3	Very low	50.7	Low	154 Å²	154	84 Å²	84	72%	0.72	41%	0.41	S	S	*	.			trans	82.1	119	-179.6	-52.6	-163.4	172.5	0	0	116.7	R855	E853-R855 PolarHBondContact O-N 3.46Å
854	S	40.9	Very low	50.8	Low	134 Å²	134	88.2 Å²	88.2	94%	0.937	43%	0.432	S	S	*	.			trans	-64.1	29.2	-177.9	49.3	0	0	0	0	115.5
855	R	44.8	Very low	50.8	Low	123 Å²	123	86.4 Å²	86.4	46%	0.464	43%	0.425	S	S	.	.			trans	-111.1	104.4	-169.3	-123.7	174.5	173.2	168.6	-2.7	111.6	E87 E853 Q857	E87-R855 IonicContact OE2-CZ 3.22Å; E87-R855 IonicContact OE2-NE 2.84Å; E87-R855 PolarHBondContact OE2-NE 3.09Å; E87-R855 IonicContact OE2-NH2 2.63Å; E87-R855 PolarHBondContact OE2-NH2 3.07Å; E853-R855 PolarHBondContact O-N 3.46Å; R855-Q857 PolarHBondContact O-N 3.2Å; R855-Q857 VanDerWaalsContact O-N 3.1Å
856	I	47.6	Very low	50.7	Low	101 Å²	101	92.6 Å²	92.6	52%	0.518	45%	0.454	S	S	.	.			trans	-75.4	96.7	168.9	-58.6	173.9	0	0	0	107.7	T846 S858	T846-I856 HydrophobicContact CG2-CG2 3.61Å; I856-S858 PolarHBondContact O-N 2.83Å
857	Q	48.9	Very low	50.4	Low	59 Å²	59	92.8 Å²	92.8	28%	0.276	45%	0.453	S	S	.	.			trans	-79.3	117.3	172.3	-70.2	-176.3	-22.7	0	0	109.9	K847 R855	K847-Q857 HydrophobicContact CB-CB 3.94Å; K847-Q857 VanDerWaalsContact CB-O 3.25Å; K847-Q857 WeakPolarHBondContact CB-O 3.49Å; K847-Q857 HydrophobicContact CD-CB 4.07Å; K847-Q857 PolarHBondContact N-O 2.84Å; R855-Q857 PolarHBondContact O-N 3.2Å; R855-Q857 VanDerWaalsContact O-N 3.1Å
858	S	50.3	Low	49.8	Very low	24 Å²	24	98 Å²	98	17%	0.168	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	142.1	169.1	51.2	0	0	0	0	112.3	I86 R844 G845 I856	I86-S858 WeakPolarHBondContact CG2-OG 3.46Å; R844-S858 VanDerWaalsContact NE-CB 3.26Å; R844-S858 PolarHBondContact NE-OG 3.08Å; R844-S858 PolarHBondContact NH2-OG 3.18Å; G845-S858 CarbonylContact O-C 3.5Å; G845-S858 VanDerWaalsContact O-CA 3.22Å; G845-S858 WeakPolarHBondContact O-CA 3.5Å; I856-S858 PolarHBondContact O-N 2.83Å
859	K	51.6	Low	49	Very low	111 Å²	111	95.8 Å²	95.8	48%	0.483	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141	174.2	-171.9	168.3	-174.9	172.8	0	110.2	Y773 G845 F861	Y773-K859 HydrophobicContact CD1-CB 4Å; Y773-K859 HydrophobicContact CE1-CB 3.39Å; Y773-K859 HydrophobicContact CE2-CB 4.4Å; Y773-K859 HydrophobicContact CE2-CD 4.23Å; G845-K859 PolarHBondContact N-O 2.59Å; G845-K859 PolarHBondContact O-N 3.03Å; K859-F861 HydrophobicContact CB-CE2 3.98Å; K859-F861 HydrophobicContact CB-CZ 4.15Å; K859-F861 HydrophobicContact CD-CE1 4.38Å; K859-F861 HydrophobicContact CD-CZ 4.09Å; K859-F861 HydrophobicContact CG-CE2 4.21Å; K859-F861 HydrophobicContact CG-CZ 4.12Å; K859-F861 WeakPolarHBondContact O-CD2 3.2Å; K859-F861 WeakPolarHBondContact O-CE2 3.08Å
860	L	53.1	Low	47.9	Very low	54 Å²	54	97.3 Å²	97.3	28%	0.283	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	136.5	176.4	-163	77.2	0	0	0	109.4	F798 W842 I843 R844	F798-L860 HydrophobicContact CB-CD1 4.11Å; F798-L860 HydrophobicContact CD2-CD1 4.31Å; F798-L860 HydrophobicContact CD2-CD2 3.95Å; W842-L860 HydrophobicContact CD2-CD2 4.37Å; W842-L860 HydrophobicContact CE3-CD2 3.32Å; W842-L860 HydrophobicContact CE3-CG 3.73Å; W842-L860 HydrophobicContact CZ3-CD2 3.54Å; W842-L860 HydrophobicContact CZ3-CG 4.25Å; I843-L860 CarbonylContact O-C 3.56Å; I843-L860 WeakPolarHBondContact O-CA 3.47Å; R844-L860 HydrophobicContact CB-CD1 4.41Å
861	F	55	Low	46.9	Very low	33 Å²	33	95.4 Å²	95.4	15%	0.145	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.9	-179.4	-62.4	-90.8	0	0	0	108.6	L769 P770 Y773 W842 I843 K859	L769-F861 HydrophobicContact CD1-CE2 4.43Å; L769-F861 HydrophobicContact CD2-CB 4.23Å; L769-F861 HydrophobicContact CD2-CD1 4.09Å; L769-F861 HydrophobicContact CD2-CD2 3.29Å; L769-F861 HydrophobicContact CD2-CE1 4.31Å; L769-F861 HydrophobicContact CD2-CE2 3.55Å; L769-F861 HydrophobicContact CD2-CG 3.59Å; L769-F861 HydrophobicContact CD2-CZ 4.06Å; P770-F861 HydrophobicContact CG-CE1 3.45Å; P770-F861 VanDerWaalsContact CG-CE1 3.45Å; P770-F861 HydrophobicContact CG-CZ 3.72Å; Y773-F861 AromaticContact CD2-CZ 3.97Å; Y773-F861 HydrophobicContact CD2-CZ 3.97Å; Y773-F861 HydrophobicContact CE2-CZ 4.48Å; Y773-F861 HydrophobicContact CG-CE2 4.25Å; Y773-F861 HydrophobicContact CG-CZ 4.01Å; W842-F861 CarbonylContact C-O 3.55Å; W842-F861 WeakPolarHBondContact CA-O 3.16Å; I843-F861 HydrophobicContact CB-CB 4.29Å; I843-F861 PolarHBondContact N-O 2.76Å; I843-F861 PolarHBondContact O-N 3.27Å; K859-F861 HydrophobicContact CB-CE2 3.98Å; K859-F861 HydrophobicContact CB-CZ 4.15Å; K859-F861 HydrophobicContact CD-CE1 4.38Å; K859-F861 HydrophobicContact CD-CZ 4.09Å; K859-F861 HydrophobicContact CG-CE2 4.21Å; K859-F861 HydrophobicContact CG-CZ 4.12Å; K859-F861 WeakPolarHBondContact O-CD2 3.2Å; K859-F861 WeakPolarHBondContact O-CE2 3.08Å
862	R	55.9	Low	45.8	Very low	122 Å²	122	91.3 Å²	91.3	46%	0.46	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135	176.9	-173.8	176.1	80.3	-157.5	3.7	110.3	D794 W842	D794-R862 IonicContact OD1-NH1 3.77Å; W842-R862 HydrophobicContact CD2-CB 4.19Å; W842-R862 HydrophobicContact CD2-CG 4.12Å; W842-R862 HydrophobicContact CE3-CB 3.82Å; W842-R862 HydrophobicContact CE3-CG 4.21Å; W842-R862 HydrophobicContact CH2-CB 3.85Å; W842-R862 HydrophobicContact CH2-CG 3.79Å; W842-R862 HydrophobicContact CZ2-CB 4.09Å; W842-R862 HydrophobicContact CZ2-CG 3.54Å; W842-R862 HydrophobicContact CZ3-CB 3.7Å; W842-R862 HydrophobicContact CZ3-CG 4.11Å
863	V	56.8	Low	44.9	Very low	35 Å²	35	90.3 Å²	90.3	21%	0.212	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	122.7	170.7	-178.6	0	0	0	0	110.4	I765 I767 L841 L865	I765-V863 HydrophobicContact CG2-CG1 4.36Å; I767-V863 HydrophobicContact CB-CG2 4.42Å; I767-V863 HydrophobicContact CD1-CB 3.51Å; I767-V863 HydrophobicContact CD1-CG1 3.59Å; I767-V863 HydrophobicContact CD1-CG2 3.46Å; I767-V863 VanDerWaalsContact CD1-CG2 3.46Å; I767-V863 HydrophobicContact CG1-CB 4.24Å; I767-V863 HydrophobicContact CG1-CG1 4.01Å; I767-V863 HydrophobicContact CG1-CG2 3.82Å; I767-V863 HydrophobicContact CG2-CG2 3.74Å; L841-V863 PolarHBondContact N-O 2.99Å; L841-V863 PolarHBondContact O-N 3.02Å; V863-L865 HydrophobicContact CG1-CD2 3.93Å
864	D	58.4	Low	43.9	Very low	87 Å²	87	88 Å²	88	47%	0.465	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	126	174.8	-52	-38.7	0	0	0	109.1	Q840	Q840-D864 WeakPolarHBondContact CG-OD1 3.19Å
865	L	54.7	Low	43.2	Very low	0 Å²	0	87.6 Å²	87.6	0%	0	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	103.9	176.8	-45.1	178.9	0	0	0	108	I724 I765 L804 Y839 L841 V863 F867	I724-L865 HydrophobicContact CD1-CD1 3.99Å; I724-L865 HydrophobicContact CD1-CD2 3.68Å; I724-L865 HydrophobicContact CG2-CD1 4.09Å; I765-L865 HydrophobicContact CB-CD2 4.17Å; I765-L865 HydrophobicContact CD1-CB 3.94Å; I765-L865 HydrophobicContact CD1-CD2 3.37Å; I765-L865 HydrophobicContact CD1-CG 4.14Å; I765-L865 HydrophobicContact CG1-CD2 4.32Å; I765-L865 HydrophobicContact CG2-CD2 3.76Å; L804-L865 HydrophobicContact CD1-CD1 3.5Å; Y839-L865 PolarHBondContact N-O 3.19Å; Y839-L865 WeakPolarHBondContact O-CA 3.29Å; Y839-L865 WeakPolarHBondContact O-CB 3.48Å; Y839-L865 PolarHBondContact O-N 3.45Å; L841-L865 HydrophobicContact CB-CD1 4.01Å; L841-L865 HydrophobicContact CB-CG 4.27Å; V863-L865 HydrophobicContact CG1-CD2 3.93Å; L865-F867 HydrophobicContact CB-CE1 4.48Å; L865-F867 HydrophobicContact CB-CE2 4.36Å; L865-F867 HydrophobicContact CB-CZ 4.04Å; L865-F867 HydrophobicContact CD1-CZ 4.13Å
866	E	53.1	Low	42.2	Very low	129 Å²	129	86.8 Å²	86.8	60%	0.603	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.1	167.2	-77.8	-175.4	176.4	0	0	109.5	T838	T838-E866 HydrophobicContact CG2-CG 4.31Å
867	F	50.3	Low	41.1	Very low	27 Å²	27	86.8 Å²	86.8	12%	0.118	46%	0.455	C	S	.	.			trans	-91.4	103	166.2	-58	-58.6	0	0	0	108.9	V713 Y839 L865 S869	V713-F867 HydrophobicContact CG2-CZ 4.38Å; Y839-F867 AromaticContact CD2-CD2 3.26Å; Y839-F867 HydrophobicContact CD2-CD2 3.26Å; Y839-F867 AromaticContact CD2-CE2 3.3Å; Y839-F867 HydrophobicContact CD2-CE2 3.3Å; Y839-F867 AromaticContact CE2-CD2 3.52Å; Y839-F867 HydrophobicContact CE2-CD2 3.52Å; Y839-F867 AromaticContact CE2-CE2 3.86Å; Y839-F867 HydrophobicContact CE2-CE2 3.86Å; Y839-F867 HydrophobicContact CG-CD2 4.35Å; Y839-F867 AromaticContact CG-CE2 3.98Å; Y839-F867 HydrophobicContact CG-CE2 3.98Å; L865-F867 HydrophobicContact CB-CE1 4.48Å; L865-F867 HydrophobicContact CB-CE2 4.36Å; L865-F867 HydrophobicContact CB-CZ 4.04Å; L865-F867 HydrophobicContact CD1-CZ 4.13Å; F867-S869 PolarHBondContact O-N 3.19Å
868	K	41.6	Very low	39.9	Very low	150 Å²	150	92.3 Å²	92.3	65%	0.652	48%	0.48	S	S	*	.			trans	-77.4	120.9	168.6	-68.5	-173.2	179.5	-175	0	108.3	L870	K868-L870 PolarHBondContact O-N 3.2Å; K868-L870 VanDerWaalsContact O-N 3.12Å
869	S	35.3	Very low	38.6	Very low	54 Å²	54	98.4 Å²	98.4	38%	0.378	51%	0.51	S	S	.	.			trans	-56.5	119.6	156.5	58	0	0	0	0	106.9	F867 E871	F867-S869 PolarHBondContact O-N 3.19Å; S869-E871 PolarHBondContact O-N 2.87Å
870	L	29.2	Very low	37.2	Very low	129 Å²	129	101.2 Å²	101.2	68%	0.675	53%	0.531	S	S	*	.			trans	-56.7	106.9	178	-157.4	81.9	0	0	0	108.3	K868 I872	K868-L870 PolarHBondContact O-N 3.2Å; K868-L870 VanDerWaalsContact O-N 3.12Å; L870-I872 PolarHBondContact O-N 2.77Å; L870-I872 VanDerWaalsContact O-N 3.12Å
871	E	26.1	Very low	35.9	Very low	154 Å²	154	105.2 Å²	105.2	72%	0.72	55%	0.552	S	S	*	*			trans	-71	105.7	173.6	-77.1	179.8	167.9	0	0	107.1	S869 N873	S869-E871 PolarHBondContact O-N 2.87Å; E871-N873 PolarHBondContact O-N 3.3Å
872	I	23.5	Very low	34.4	Very low	92 Å²	92	113.3 Å²	113.3	47%	0.472	59%	0.59	S	S	.	*			trans	-68.4	106.1	167.8	-58.7	172.4	0	0	0	105.2	L870 T874	L870-I872 PolarHBondContact O-N 2.77Å; L870-I872 VanDerWaalsContact O-N 3.12Å; I872-T874 HydrophobicContact CG2-CG2 3.88Å; I872-T874 PolarHBondContact O-N 3.32Å
873	N	22.5	Very low	32.9	Very low	125 Å²	125	115.9 Å²	115.9	67%	0.668	61%	0.605	S	S	*	*			trans	-61.7	90.4	160	-83.8	4.4	0	0	0	107	E871 D875	E871-N873 PolarHBondContact O-N 3.3Å; N873-D875 PolarHBondContact O-N 2.8Å
874	T	23.3	Very low	31.4	Very low	106 Å²	106	121.7 Å²	121.7	65%	0.65	64%	0.635	S	S	*	*			trans	-72.7	63.5	158	52.3	0	0	0	0	107.3	I872 S876	I872-T874 HydrophobicContact CG2-CG2 3.88Å; I872-T874 PolarHBondContact O-N 3.32Å; T874-S876 PolarHBondContact O-N 2.84Å
875	D	24.5	Very low	29.6	Very low	124 Å²	124	127.8 Å²	127.8	66%	0.663	66%	0.657	S	S	*	*			trans	-75.2	62.5	160.5	-72.6	-28.4	0	0	0	107.4	N873 S877	N873-D875 PolarHBondContact O-N 2.8Å; D875-S877 PolarHBondContact O-N 3.1Å
876	S	24.9	Very low	28.1	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	61.4	168	59.2	0	0	0	0	108.6	T874	T874-S876 PolarHBondContact O-N 2.84Å
877	S	24.7	Very low	26.7	Very low	101 Å²	101	139 Å²	139	71%	0.706	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.1	10.8	171.7	54.5	0	0	0	0	115	D875	D875-S877 PolarHBondContact O-N 3.1Å
878	E	22.7	Very low	25.4	Very low	174 Å²	174	145.7 Å²	145.7	81%	0.813	74%	0.742	S	S	*	*	S	Bend	trans	-144.6	72.4	172.8	-79	-170.3	-177.3	0	0	112
879	L	22.7	Very low	24.6	Very low	152 Å²	152	149 Å²	149	80%	0.796	75%	0.752	S	S	*	*			trans	-162.8	50.7	145.9	-133.2	85.2	0	0	0	114	N881	L879-N881 PolarHBondContact O-N 2.71Å
880	N	23.3	Very low	24	Very low	171 Å²	171	151.8 Å²	151.8	91%	0.914	77%	0.771	S	S	*	*			trans	-77.8	62.8	155.1	-96.5	-14.1	0	0	0	109.2
881	N	24.4	Very low	23.7	Very low	138 Å²	138	154.2 Å²	154.2	74%	0.738	78%	0.779	S	S	*	*			trans	-146.3	73	170.4	-87.9	-32.5	0	0	0	110.1	L879 K883	L879-N881 PolarHBondContact O-N 2.71Å; N881-K883 PolarHBondContact O-N 3.32Å
882	E	23.9	Very low	23.8	Very low	202 Å²	202	152.2 Å²	152.2	94%	0.944	78%	0.78	S	S	*	*			trans	-72.5	29.5	178.1	-139.6	176.7	-158	0	0	113.7
883	K	25.5	Very low	24	Very low	177 Å²	177	155.5 Å²	155.5	77%	0.77	80%	0.798	S	S	*	*			trans	-140.5	91.6	-176.4	-70.9	-176.7	-177.9	174.1	0	111.2	N881	N881-K883 PolarHBondContact O-N 3.32Å
884	N	24.1	Very low	24.3	Very low	157 Å²	157	157.4 Å²	157.4	84%	0.84	80%	0.802	S	S	*	*			trans	160.6	57.7	141	-80	-21.5	0	0	0	110.9	K886	N884-K886 VanDerWaalsContact C-N 3.35Å; N884-K886 PolarHBondContact O-N 3.37Å
885	F	21.3	Very low	24.6	Very low	214 Å²	214	158.8 Å²	158.8	94%	0.939	81%	0.806	S	S	*	*			trans	-95.3	66.2	162.7	-93.6	-83.5	0	0	0	109.5
886	K	22.4	Very low	24.8	Very low	187 Å²	187	161.8 Å²	161.8	81%	0.813	81%	0.809	S	S	*	*	S	Bend	trans	-146.1	128.8	160.8	-78.4	-166.5	177.8	178.1	0	108.4	N884	N884-K886 VanDerWaalsContact C-N 3.35Å; N884-K886 PolarHBondContact O-N 3.37Å
887	E	23.7	Very low	25.1	Very low	179 Å²	179	160.6 Å²	160.6	84%	0.836	80%	0.801	S	S	*	*			trans	77.4	71.2	161.8	-61.2	174.9	172.8	0	0	118.5
888	I	23.8	Very low	25.4	Very low	166 Å²	166	161 Å²	161	85%	0.851	80%	0.795	S	S	*	*			trans	-137.4	68	135.4	-49.4	178.7	0	0	0	108
889	Y	23.9	Very low	25.9	Very low	221 Å²	221	158.5 Å²	158.5	87%	0.867	79%	0.787	S	S	*	*			trans	-84.6	143.8	148.9	-83.6	-88	0	0	0	106.5
890	S	23.6	Very low	26.3	Very low	111 Å²	111	156.6 Å²	156.6	78%	0.776	78%	0.777	S	S	*	*			trans	88.9	73.2	172.7	72.9	0	0	0	0	118.2
891	E	23.5	Very low	26.7	Very low	180 Å²	180	154 Å²	154	84%	0.841	76%	0.763	S	S	*	*			trans	-121.8	122.9	134.7	-84.4	-162.6	164.9	0	0	110	L893	E891-L893 PolarHBondContact O-N 3.26Å
892	P	27.3	Very low	27.2	Very low	112 Å²	112	153.5 Å²	153.5	73%	0.727	76%	0.758	S	S	*	*			trans	-76.5	124.5	-177.4	-3.8	20	0	0	0	111.4	Q894	P892-Q894 PolarHBondContact O-N 2.77Å
893	L	27.6	Very low	27.6	Very low	162 Å²	162	151.8 Å²	151.8	85%	0.848	75%	0.747	S	S	*	*	S	Bend	trans	3.6	9.4	152.9	-80.2	157	0	0	0	123.9	E891	E891-L893 PolarHBondContact O-N 3.26Å
894	Q	29.1	Very low	27.9	Very low	165 Å²	165	152.2 Å²	152.2	77%	0.771	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-10.1	-172.3	-109.2	165.6	-11.8	0	0	115.7	P892	P892-Q894 PolarHBondContact O-N 2.77Å
895	N	29.1	Very low	28.7	Very low	134 Å²	134	148.2 Å²	148.2	72%	0.717	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-4.8	179.4	-87	-19.9	0	0	0	115.8
896	Y	28.4	Very low	29.3	Very low	188 Å²	188	147.3 Å²	147.3	74%	0.737	72%	0.719	S	S	*	*	H	α-helix	trans	-79.6	-15.8	177.6	-96.6	-83.8	0	0	0	114.4
897	S	32.4	Very low	30	Very low	82 Å²	82	143.3 Å²	143.3	57%	0.573	71%	0.706	S	S	*	*	H	α-helix	trans	-80	-32.6	-175.9	-139.1	0	0	0	0	113.4	L901	S897-L901 PolarHBondContact O-N 2.79Å
898	N	31.5	Very low	30.7	Very low	110 Å²	110	139.5 Å²	139.5	59%	0.588	69%	0.688	S	S	*	*	H	α-helix	trans	-77	-31.1	-176.2	-75.4	-16.8	0	0	0	113.7	L900 L901 M902	N898-L900 VanDerWaalsContact C-N 3.33Å; N898-L900 PolarHBondContact O-N 3.45Å; N898-L901 PolarHBondContact O-N 2.83Å; N898-M902 PolarHBondContact O-N 3.4Å
899	N	32.5	Very low	31.4	Very low	121 Å²	121	134.2 Å²	134.2	65%	0.647	67%	0.669	S	S	*	*	H	α-helix	trans	-73.4	-25	176.5	-80.9	-23.3	0	0	0	113	K903	N899-K903 PolarHBondContact O-N 3.37Å
900	L	31	Very low	32.2	Very low	111 Å²	111	128.1 Å²	128.1	58%	0.581	66%	0.655	S	S	*	*	H	α-helix	trans	-73.3	-35.7	174.7	-130.5	95.9	0	0	0	112.1	N898 K903 R904	N898-L900 VanDerWaalsContact C-N 3.33Å; N898-L900 PolarHBondContact O-N 3.45Å; L900-K903 PolarHBondContact O-N 2.78Å; L900-R904 PolarHBondContact O-N 2.77Å; L900-R904 VanDerWaalsContact O-N 3.09Å
901	L	32.8	Very low	32.8	Very low	118 Å²	118	131.8 Å²	131.8	62%	0.618	65%	0.651	S	S	*	*	H	α-helix	trans	-68.4	-39.3	177.7	-107.6	140.7	0	0	0	112.2	S897 N898 R904 S905	S897-L901 PolarHBondContact O-N 2.79Å; N898-L901 PolarHBondContact O-N 2.83Å; L901-R904 PolarHBondContact O-N 3.46Å; L901-S905 PolarHBondContact O-N 3.28Å; L901-S905 VanDerWaalsContact O-N 3.1Å
902	M	34.1	Very low	33.6	Very low	127 Å²	127	131.1 Å²	131.1	63%	0.626	64%	0.641	S	S	*	*	H	α-helix	trans	-68.6	-35.6	175.9	-74.6	-70	-84.4	0	0	112.9	N898 R906	N898-M902 PolarHBondContact O-N 3.4Å; M902-R906 PolarHBondContact O-N 2.99Å
903	K	32.1	Very low	34.3	Very low	165 Å²	165	131.6 Å²	131.6	72%	0.717	64%	0.637	S	S	*	*	H	α-helix	trans	-69.1	-34.3	173.6	-84.7	-175	175	179.6	0	112.8	N899 L900 N907	N899-K903 PolarHBondContact O-N 3.37Å; L900-K903 PolarHBondContact O-N 2.78Å; K903-N907 PolarHBondContact O-N 3.47Å
904	R	31.8	Very low	35	Very low	186 Å²	186	126.8 Å²	126.8	70%	0.702	62%	0.617	S	S	*	*	H	α-helix	trans	-66.6	-42.3	173.7	-85.8	-174.7	173	172.1	-1.1	112.4	L900 L901 R906 N907 E908	L900-R904 PolarHBondContact O-N 2.77Å; L900-R904 VanDerWaalsContact O-N 3.09Å; L901-R904 PolarHBondContact O-N 3.46Å; R904-R906 PolarHBondContact O-N 2.79Å; R904-N907 PolarHBondContact O-N 2.92Å; R904-E908 PolarHBondContact O-N 3.48Å
905	S	40.5	Very low	35.5	Very low	74 Å²	74	126 Å²	126	52%	0.517	61%	0.611	S	S	.	*	H	α-helix	trans	-60.5	-45.4	178.8	168.1	0	0	0	0	113	L901 N907 E908 A909	L901-S905 PolarHBondContact O-N 3.28Å; L901-S905 VanDerWaalsContact O-N 3.1Å; S905-N907 PolarHBondContact O-N 3.45Å; S905-E908 PolarHBondContact O-N 2.86Å; S905-A909 PolarHBondContact O-N 2.93Å
906	R	34.5	Very low	36.1	Very low	195 Å²	195	125.3 Å²	125.3	74%	0.736	60%	0.604	S	S	*	*	H	α-helix	trans	-63.9	-38.7	177.1	-80.6	-175.1	173.7	171.7	-1.1	112.8	M902 R904 E908 V910	M902-R906 PolarHBondContact O-N 2.99Å; R904-R906 PolarHBondContact O-N 2.79Å; R906-E908 VanDerWaalsContact C-N 3.33Å; R906-E908 PolarHBondContact O-N 3.09Å; R906-V910 WeakPolarHBondContact O-CG2 3.16Å; R906-V910 PolarHBondContact O-N 3.43Å
907	N	37.5	Very low	36.6	Very low	103 Å²	103	123.6 Å²	123.6	55%	0.551	60%	0.6	S	S	*	*	H	α-helix	trans	-70	-29.4	178	-81.7	-18.1	0	0	0	113	K903 R904 S905 R911	K903-N907 PolarHBondContact O-N 3.47Å; R904-N907 PolarHBondContact O-N 2.92Å; S905-N907 PolarHBondContact O-N 3.45Å; N907-R911 WeakPolarHBondContact O-CB 3.49Å; N907-R911 VanDerWaalsContact O-CG 3.32Å; N907-R911 WeakPolarHBondContact O-CG 3.25Å; N907-R911 PolarHBondContact O-N 3.27Å
908	E	38.8	Very low	37.2	Very low	99 Å²	99	123.4 Å²	123.4	46%	0.463	60%	0.595	S	S	.	*	H	α-helix	trans	-74.1	-36.8	177.6	-153.8	178.2	158.5	0	0	112.2	R904 S905 R906 R911 R912	R904-E908 PolarHBondContact O-N 3.48Å; S905-E908 PolarHBondContact O-N 2.86Å; R906-E908 VanDerWaalsContact C-N 3.33Å; R906-E908 PolarHBondContact O-N 3.09Å; E908-R911 PolarHBondContact O-N 2.97Å; E908-R912 PolarHBondContact O-N 2.97Å; E908-R912 IonicContact OE1-CZ 2.79Å; E908-R912 IonicContact OE1-NH1 3.82Å; E908-R912 IonicContact OE1-NH2 2.66Å; E908-R912 PolarHBondContact OE1-NH2 2.64Å
909	A	38.2	Very low	37.4	Very low	54 Å²	54	126.6 Å²	126.6	45%	0.446	60%	0.599	S	S	.	*	H	α-helix	trans	-64.7	-41.9	173.3	0	0	0	0	0	112.2	S905 R912 L913	S905-A909 PolarHBondContact O-N 2.93Å; A909-R912 PolarHBondContact O-N 3.49Å; A909-L913 PolarHBondContact O-N 2.83Å
910	V	39.7	Very low	38.1	Very low	93 Å²	93	126.5 Å²	126.5	56%	0.564	60%	0.595	S	S	*	*	H	α-helix	trans	-64.7	-40.1	175.4	175.3	0	0	0	0	111	R906 L913 S914	R906-V910 WeakPolarHBondContact O-CG2 3.16Å; R906-V910 PolarHBondContact O-N 3.43Å; V910-L913 PolarHBondContact O-N 3.44Å; V910-S914 PolarHBondContact O-N 3.48Å; V910-S914 PolarHBondContact O-OG 3.4Å
911	R	36	Very low	38.6	Very low	188 Å²	188	128.3 Å²	128.3	71%	0.709	60%	0.6	S	S	*	*	H	α-helix	trans	-65.3	-37.6	174.9	-78.4	-179.7	-178.8	-170.5	-0.3	113.1	N907 E908 S914 F915	N907-R911 WeakPolarHBondContact O-CB 3.49Å; N907-R911 VanDerWaalsContact O-CG 3.32Å; N907-R911 WeakPolarHBondContact O-CG 3.25Å; N907-R911 PolarHBondContact O-N 3.27Å; E908-R911 PolarHBondContact O-N 2.97Å; R911-S914 WeakPolarHBondContact CA-OG 3.28Å; R911-S914 PolarHBondContact O-OG 3.24Å; R911-F915 WeakPolarHBondContact O-CB 3.45Å; R911-F915 PolarHBondContact O-N 3.01Å
912	R	40.6	Very low	38.7	Very low	166 Å²	166	127.8 Å²	127.8	63%	0.626	60%	0.598	S	S	*	*	H	α-helix	trans	-68.2	-40.1	176.3	-76.9	-172.9	179.1	126.8	14.7	112	E908 A909 F915 Q916	E908-R912 PolarHBondContact O-N 2.97Å; E908-R912 IonicContact OE1-CZ 2.79Å; E908-R912 IonicContact OE1-NH1 3.82Å; E908-R912 IonicContact OE1-NH2 2.66Å; E908-R912 PolarHBondContact OE1-NH2 2.64Å; A909-R912 PolarHBondContact O-N 3.49Å; R912-F915 PolarHBondContact O-N 3.4Å; R912-Q916 WeakPolarHBondContact O-CB 3.35Å; R912-Q916 PolarHBondContact O-N 3.43Å
913	L	41.8	Very low	38.9	Very low	122 Å²	122	125.3 Å²	125.3	64%	0.639	60%	0.598	S	S	*	*	H	α-helix	trans	-65.9	-38.9	176	-85	158.8	0	0	0	112.6	A909 V910 K917	A909-L913 PolarHBondContact O-N 2.83Å; V910-L913 PolarHBondContact O-N 3.44Å; L913-K917 PolarHBondContact O-N 3.22Å
914	S	43.1	Very low	39.3	Very low	61 Å²	61	121.8 Å²	121.8	43%	0.427	60%	0.599	S	S	.	*	H	α-helix	trans	-69.4	-39.2	175.4	60.5	0	0	0	0	111.9	V910 R911 Q916 K917 V918	V910-S914 PolarHBondContact O-N 3.48Å; V910-S914 PolarHBondContact O-OG 3.4Å; R911-S914 WeakPolarHBondContact CA-OG 3.28Å; R911-S914 PolarHBondContact O-OG 3.24Å; S914-Q916 PolarHBondContact O-N 3.41Å; S914-K917 PolarHBondContact O-N 3.28Å; S914-V918 VanDerWaalsContact O-CG2 3.3Å; S914-V918 WeakPolarHBondContact O-CG2 3.21Å; S914-V918 PolarHBondContact O-N 3.01Å; S914-V918 VanDerWaalsContact O-N 3.13Å
915	F	38.6	Very low	39.6	Very low	149 Å²	149	124 Å²	124	65%	0.654	61%	0.614	S	S	*	*	H	α-helix	trans	-65.4	-38.3	176.5	-128.4	-90.2	0	0	0	112.6	R911 R912 V918 W919	R911-F915 WeakPolarHBondContact O-CB 3.45Å; R911-F915 PolarHBondContact O-N 3.01Å; R912-F915 PolarHBondContact O-N 3.4Å; F915-V918 PolarHBondContact O-N 2.96Å; F915-W919 WeakPolarHBondContact O-CB 3.13Å; F915-W919 PolarHBondContact O-N 2.96Å
916	Q	42.6	Very low	39.6	Very low	119 Å²	119	126.6 Å²	126.6	56%	0.556	62%	0.619	S	S	*	*	H	α-helix	trans	-68.4	-39.7	179.3	-167.7	164.7	-10.3	0	0	112.1	R912 S914 V918 W919 E920	R912-Q916 WeakPolarHBondContact O-CB 3.35Å; R912-Q916 PolarHBondContact O-N 3.43Å; S914-Q916 PolarHBondContact O-N 3.41Å; Q916-V918 PolarHBondContact O-N 2.99Å; Q916-W919 PolarHBondContact O-N 3.03Å; Q916-E920 WeakPolarHBondContact O-CG 3.23Å; Q916-E920 PolarHBondContact O-N 2.78Å
917	K	39	Very low	39.8	Very low	153 Å²	153	122.9 Å²	122.9	67%	0.665	61%	0.613	S	S	*	*	H	α-helix	trans	-62.8	-40.1	172.8	-93.8	-175.7	172.6	-177.9	0	113	L913 S914 Q921	L913-K917 PolarHBondContact O-N 3.22Å; S914-K917 PolarHBondContact O-N 3.28Å; K917-Q921 WeakPolarHBondContact O-CG 3.31Å; K917-Q921 PolarHBondContact O-N 3.13Å
918	V	44	Very low	40	Very low	78 Å²	78	124.1 Å²	124.1	47%	0.473	62%	0.616	S	S	.	*	H	α-helix	trans	-67.9	-38.3	177.4	172.8	0	0	0	0	110.8	S914 F915 Q916 Q921 L922	S914-V918 VanDerWaalsContact O-CG2 3.3Å; S914-V918 WeakPolarHBondContact O-CG2 3.21Å; S914-V918 PolarHBondContact O-N 3.01Å; S914-V918 VanDerWaalsContact O-N 3.13Å; F915-V918 PolarHBondContact O-N 2.96Å; Q916-V918 PolarHBondContact O-N 2.99Å; V918-Q921 PolarHBondContact O-N 2.77Å; V918-L922 HydrophobicContact CG1-CD1 4.07Å; V918-L922 WeakPolarHBondContact O-CB 3.32Å; V918-L922 PolarHBondContact O-N 2.98Å
919	W	37.2	Very low	40	Very low	177 Å²	177	125.5 Å²	125.5	67%	0.67	63%	0.625	S	S	*	*	H	α-helix	trans	-69.7	-38.1	176.8	-160.3	-94.2	0	0	0	112.9	F915 Q916 Q921 L922 A923	F915-W919 WeakPolarHBondContact O-CB 3.13Å; F915-W919 PolarHBondContact O-N 2.96Å; Q916-W919 PolarHBondContact O-N 3.03Å; W919-Q921 VanDerWaalsContact C-N 3.34Å; W919-L922 PolarHBondContact O-N 2.94Å; W919-A923 WeakPolarHBondContact O-CB 3.38Å; W919-A923 PolarHBondContact O-N 3.09Å
920	E	45.2	Very low	40.2	Very low	119 Å²	119	130 Å²	130	56%	0.556	64%	0.637	S	S	*	*	H	α-helix	trans	-65.5	-36.3	173.4	-75.5	174.9	-175.1	0	0	112.1	Q916 A923 A924	Q916-E920 WeakPolarHBondContact O-CG 3.23Å; Q916-E920 PolarHBondContact O-N 2.78Å; E920-A923 PolarHBondContact O-N 3.28Å; E920-A924 WeakPolarHBondContact O-CB 3.26Å; E920-A924 PolarHBondContact O-N 3.42Å; E920-A924 VanDerWaalsContact O-N 3.09Å
921	Q	42	Very low	40.2	Very low	148 Å²	148	132.5 Å²	132.5	69%	0.692	64%	0.641	S	S	*	*	H	α-helix	trans	-69.1	-39.1	173.2	-77	-173.8	-18.9	0	0	112.8	K917 V918 W919 A923 A924 F925	K917-Q921 WeakPolarHBondContact O-CG 3.31Å; K917-Q921 PolarHBondContact O-N 3.13Å; V918-Q921 PolarHBondContact O-N 2.77Å; W919-Q921 VanDerWaalsContact C-N 3.34Å; Q921-A923 VanDerWaalsContact C-N 3.34Å; Q921-A924 PolarHBondContact O-N 3.49Å; Q921-F925 PolarHBondContact O-N 3.47Å; Q921-F925 VanDerWaalsContact O-N 3.14Å
922	L	34.8	Very low	40.5	Very low	108 Å²	108	128.5 Å²	128.5	57%	0.565	64%	0.637	S	S	*	*	H	α-helix	trans	-71	-26.2	175	-88.6	162.4	0	0	0	113.5	V918 W919 F925	V918-L922 HydrophobicContact CG1-CD1 4.07Å; V918-L922 WeakPolarHBondContact O-CB 3.32Å; V918-L922 PolarHBondContact O-N 2.98Å; W919-L922 PolarHBondContact O-N 2.94Å; L922-F925 VanDerWaalsContact O-OXT 3.11Å
923	A	37.9	Very low	40.5	Very low	75 Å²	75	125.6 Å²	125.6	62%	0.62	64%	0.637	S	S	*	*	H	α-helix	trans	-83	-18.8	173.9	0	0	0	0	0	112.8	W919 E920 Q921	W919-A923 WeakPolarHBondContact O-CB 3.38Å; W919-A923 PolarHBondContact O-N 3.09Å; E920-A923 PolarHBondContact O-N 3.28Å; Q921-A923 VanDerWaalsContact C-N 3.34Å
924	A	42	Very low	40.4	Very low	90 Å²	90	125.9 Å²	125.9	74%	0.744	64%	0.637	S	S	*	*	H	α-helix	trans	-85.9	-23.4	174.3	0	0	0	0	0	113	E920 Q921	E920-A924 WeakPolarHBondContact O-CB 3.26Å; E920-A924 PolarHBondContact O-N 3.42Å; E920-A924 VanDerWaalsContact O-N 3.09Å; Q921-A924 PolarHBondContact O-N 3.49Å
925	F	38	Very low	40.1	Very low	234 Å²	234	131.8 Å²	131.8	100%	1.026	66%	0.656	S	S	*	*			trans	-80.8	0	167.5	-160.5	-87.8	0	0	0	109.9	Q921 L922	Q921-F925 PolarHBondContact O-N 3.47Å; Q921-F925 VanDerWaalsContact O-N 3.14Å; L922-F925 VanDerWaalsContact O-OXT 3.11Å

Retrieved 925 of 925 residues in 1555.1 ms (Link to these results)

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