A0A087XV01_POEFO Loading...

ATP-dependent RNA helicase DHX33

Implicated in nucleolar organization, ribosome biogenesis, protein synthesis and cytoplasmic dsRNA sensing. Stimulates RNA polymerase I transcription of the 47S precursor rRNA. Associates with ribosomal DNA (rDNA) loci where it is involved in POLR1A recruitment. In the cytoplasm, promotes elongation-competent 80S ribosome assembly at the late stage of mRNA translation initiation. Senses cytosolic dsRNA mediating NLRP3 inflammasome formation in macrophages and type I interferon production in myeloid dendritic cells. Required for NLRP3 activation induced by viral dsRNA and bacterial RNA. In dendritic cells, required for induction of type I interferon production induced by cytoplasmic dsRNA via the activation of MAPK and NF-kappa-B signaling pathways.

AlphaFold DB , UniProt , Accession A0A087XV01, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 681 aa.

Structure Viewer

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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	26.6	Very low	35.2	Very low	226 Å²	226	110.5 Å²	110.5	100%	1.113	60%	0.596	S	S	*	*				0	130.5	0	-65.4	-160.6	-169.6	0	0	107.2	H3	M1-H3 PolarHBondContact O-N 3.31Å
2	P	28.1	Very low	35.9	Very low	132 Å²	132	112.3 Å²	112.3	86%	0.857	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-69.4	124.5	177.3	0.7	15.4	0	0	0	107.9	D4	P2-D4 PolarHBondContact O-N 3.15Å
3	H	25	Very low	36.8	Very low	187 Å²	187	109.5 Å²	109.5	87%	0.866	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-56.2	126.4	167.3	-86.2	-86.6	0	0	0	108.6	M1 P5	M1-H3 PolarHBondContact O-N 3.31Å; H3-P5 WeakPolarHBondContact O-CD 3.1Å
4	D	28.2	Very low	37.3	Very low	130 Å²	130	113.3 Å²	113.3	70%	0.695	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-57.9	118.2	171.9	-158	3.4	0	0	0	107.6	P2 D6	P2-D4 PolarHBondContact O-N 3.15Å; D4-D6 PolarHBondContact O-N 2.87Å
5	P	37	Very low	36.9	Very low	101 Å²	101	114.9 Å²	114.9	66%	0.656	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-60.1	130.4	-179.8	23.8	-31.7	0	0	0	108.1	H3 L7	H3-P5 WeakPolarHBondContact O-CD 3.1Å; P5-L7 PolarHBondContact O-N 3.27Å
6	D	40.8	Very low	36.9	Very low	115 Å²	115	112.8 Å²	112.8	62%	0.615	62%	0.619	S	S	*	*			trans	-49.3	97.4	-179	-93.1	-38.7	0	0	0	111	D4 K12	D4-D6 PolarHBondContact O-N 2.87Å; D6-K12 IonicContact OD1-NZ 2.75Å; D6-K12 PolarHBondContact OD1-NZ 2.98Å
7	L	37.3	Very low	37.2	Very low	71 Å²	71	108.7 Å²	108.7	37%	0.372	60%	0.6	S	S	.	*			trans	-57.8	147.2	176.5	-74.4	165.9	0	0	0	108.8	P5 K11	P5-L7 PolarHBondContact O-N 3.27Å; L7-K11 HydrophobicContact CB-CB 4.24Å; L7-K11 HydrophobicContact CB-CD 4.16Å; L7-K11 HydrophobicContact CD1-CB 4.48Å; L7-K11 HydrophobicContact CD1-CD 3.95Å; L7-K11 HydrophobicContact CD2-CD 4.09Å; L7-K11 HydrophobicContact CG-CD 4.3Å
8	P	41.3	Very low	37.8	Very low	48 Å²	48	108 Å²	108	31%	0.312	60%	0.599	S	S	.	*			trans	-50.8	141.4	176.2	19.1	-30.6	0	0	0	109.5	A10 K11 W374	P8-A10 PolarHBondContact O-N 3.3Å; P8-K11 PolarHBondContact O-N 3.08Å; P8-W374 HydrophobicContact CB-CZ3 4.47Å
9	P	41.4	Very low	38.3	Very low	49 Å²	49	106.6 Å²	106.6	32%	0.318	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-63.7	-4.2	-167.2	6.6	-8.3	0	0	0	114.6	K11 K12 M208	P9-K11 PolarHBondContact O-N 3.09Å; P9-K12 PolarHBondContact O-N 3.34Å; P9-M208 VanDerWaalsContact CA-CE 3.42Å; P9-M208 HydrophobicContact CB-CE 3.22Å; P9-M208 HydrophobicContact CG-CE 3.21Å
10	A	41.3	Very low	39.1	Very low	20 Å²	20	104.6 Å²	104.6	17%	0.165	57%	0.572	C	S	.	*	G	3₁₀ helix	trans	-55.5	-11.1	164.1	0	0	0	0	0	114.5	P8 F13 M208	P8-A10 PolarHBondContact O-N 3.3Å; A10-F13 VanDerWaalsContact O-CE2 3.24Å; A10-F13 WeakPolarHBondContact O-CE2 3.08Å; A10-M208 WeakPolarHBondContact CA-SD 3.15Å; A10-M208 HydrophobicContact CB-CG 4.13Å; A10-M208 HydrophobicContact CB-SD 3.59Å; A10-M208 VanDerWaalsContact CB-SD 3.59Å; A10-M208 PolarHBondContact N-SD 2.96Å
11	K	40.1	Very low	39.7	Very low	136 Å²	136	105.5 Å²	105.5	59%	0.591	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-115.5	1.7	-178	-64.1	-173.3	-178.8	178.9	0	114.6	L7 P8 P9	L7-K11 HydrophobicContact CB-CB 4.24Å; L7-K11 HydrophobicContact CB-CD 4.16Å; L7-K11 HydrophobicContact CD1-CB 4.48Å; L7-K11 HydrophobicContact CD1-CD 3.95Å; L7-K11 HydrophobicContact CD2-CD 4.09Å; L7-K11 HydrophobicContact CG-CD 4.3Å; P8-K11 PolarHBondContact O-N 3.08Å; P9-K11 PolarHBondContact O-N 3.09Å
12	K	43.8	Very low	40.9	Very low	133 Å²	133	95.1 Å²	95.1	58%	0.578	52%	0.516	S	S	*	.			trans	-116.5	101.1	177.6	-64.2	-173.5	-176.3	-178	0	109.4	D6 P9	D6-K12 IonicContact OD1-NZ 2.75Å; D6-K12 PolarHBondContact OD1-NZ 2.98Å; P9-K12 PolarHBondContact O-N 3.34Å
13	F	47.7	Very low	41.5	Very low	75 Å²	75	95.8 Å²	95.8	33%	0.329	51%	0.508	S	S	.	.			trans	-123.8	147	177.9	-73.7	-75.8	0	0	0	112.4	A10 M208 V210	A10-F13 VanDerWaalsContact O-CE2 3.24Å; A10-F13 WeakPolarHBondContact O-CE2 3.08Å; F13-M208 HydrophobicContact CZ-CB 4.42Å; F13-M208 HydrophobicContact CZ-CG 4.18Å; F13-V210 HydrophobicContact CE1-CG2 4.03Å; F13-V210 HydrophobicContact CZ-CG2 4.39Å
14	K	43.5	Very low	42.5	Very low	163 Å²	163	92 Å²	92	71%	0.709	49%	0.489	S	S	*	.			trans	-73	144.3	177	-71.3	-179.3	178.7	176.8	0	110.9	G16	K14-G16 PolarHBondContact O-N 2.75Å
15	P	31.9	Very low	42.9	Very low	138 Å²	138	92.6 Å²	92.6	90%	0.896	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	122.9	175.7	-14.5	28.1	0	0	0	111
16	G	36.5	Very low	42.6	Very low	81 Å²	81	97.4 Å²	97.4	84%	0.835	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	139	-14.7	168.3	0	0	0	0	0	117.5	K14	K14-G16 PolarHBondContact O-N 2.75Å
17	S	42.3	Very low	42.2	Very low	43 Å²	43	97.7 Å²	97.7	30%	0.301	51%	0.51	S	S	.	.	S	Bend	trans	-81.6	133.3	175.4	32	0	0	0	0	111.5	F19	S17-F19 PolarHBondContact O-N 3.2Å
18	V	48.2	Very low	41.8	Very low	96 Å²	96	97.5 Å²	97.5	58%	0.582	53%	0.526	S	S	*	.			trans	-70.5	98	177.2	-176.6	0	0	0	0	108.6	F20 V222	V18-F20 HydrophobicContact CG1-CD2 4.31Å; V18-F20 HydrophobicContact CG1-CE2 3.57Å; V18-F20 HydrophobicContact CG1-CZ 3.93Å; V18-V222 PolarHBondContact O-N 3.26Å
19	F	46.5	Very low	41	Very low	81 Å²	81	104.1 Å²	104.1	36%	0.355	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.9	120.7	-173.7	-173.4	-99	0	0	0	111.1	S17 R21 V222 Y224	S17-F19 PolarHBondContact O-N 3.2Å; F19-R21 HydrophobicContact CD1-CB 4.16Å; F19-R21 HydrophobicContact CE1-CB 3.66Å; F19-R21 HydrophobicContact CE1-CG 4.04Å; F19-V222 HydrophobicContact CD2-CG1 4.37Å; F19-Y224 VanDerWaalsContact CE2-CB 3.45Å; F19-Y224 HydrophobicContact CE2-CG 4.03Å; F19-Y224 AromaticContact CZ-CD1 3.94Å; F19-Y224 HydrophobicContact CZ-CD1 3.94Å; F19-Y224 AromaticContact CZ-CG 3.73Å; F19-Y224 HydrophobicContact CZ-CG 3.73Å
20	F	55.3	Low	40.4	Very low	66 Å²	66	110.1 Å²	110.1	29%	0.289	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.5	100.4	171.2	-66.8	-80.5	0	0	0	109.7	V18 L22 P221 V222 L223	V18-F20 HydrophobicContact CG1-CD2 4.31Å; V18-F20 HydrophobicContact CG1-CE2 3.57Å; V18-F20 HydrophobicContact CG1-CZ 3.93Å; F20-L22 PolarHBondContact O-N 3.18Å; F20-P221 HydrophobicContact CE2-CB 4.36Å; F20-V222 PolarHBondContact N-O 3.28Å; F20-L223 HydrophobicContact CB-CD2 4.04Å; F20-L223 HydrophobicContact CD2-CD2 4.24Å; F20-L223 HydrophobicContact CG-CD2 4.48Å
21	R	51.9	Low	39.8	Very low	124 Å²	124	116.5 Å²	116.5	47%	0.468	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.6	119.3	169.5	-159.1	175.2	-178.2	168	-0.2	109.4	F19 E23 R56 E226	F19-R21 HydrophobicContact CD1-CB 4.16Å; F19-R21 HydrophobicContact CE1-CB 3.66Å; F19-R21 HydrophobicContact CE1-CG 4.04Å; R21-E23 PolarHBondContact O-N 2.92Å; R21-R56 VanDerWaalsContact O-CZ 3.28Å; R21-R56 PolarHBondContact O-NH1 2.93Å; R21-R56 PolarHBondContact O-NH2 2.63Å; R21-E226 IonicContact NE-OE2 2.63Å; R21-E226 IonicContact NH2-OE1 2.95Å; R21-E226 PolarHBondContact NH2-OE1 3.02Å; R21-E226 IonicContact NH2-OE2 2.85Å
22	L	50.7	Low	39.2	Very low	9 Å²	9	115.7 Å²	115.7	5%	0.047	62%	0.622	C	S	.	*			trans	-86.3	87.2	176.3	-61.9	170.7	0	0	0	109.2	F20 A53 R56 I57 L225	F20-L22 PolarHBondContact O-N 3.18Å; L22-A53 HydrophobicContact CB-CB 4.31Å; L22-A53 HydrophobicContact CD1-CB 4.26Å; L22-R56 HydrophobicContact CD2-CB 4Å; L22-R56 HydrophobicContact CD2-CG 3.46Å; L22-R56 VanDerWaalsContact CD2-CG 3.46Å; L22-I57 HydrophobicContact CD1-CD1 4.46Å; L22-I57 HydrophobicContact CD1-CG1 3.77Å; L22-L225 HydrophobicContact CD1-CD2 3.41Å; L22-L225 VanDerWaalsContact CD1-CD2 3.41Å; L22-L225 HydrophobicContact CD1-CG 4.27Å
23	E	41.2	Very low	38.8	Very low	146 Å²	146	120.8 Å²	120.8	68%	0.682	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-66.8	148.3	175.5	-67	-169.9	166.7	0	0	112.4	R21	R21-E23 PolarHBondContact O-N 2.92Å
24	K	45.4	Very low	37.9	Very low	107 Å²	107	127 Å²	127	47%	0.465	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-76.6	132	176.9	-64.8	177.4	179.1	160.2	0	110.2
25	N	37	Very low	37.5	Very low	142 Å²	142	122.4 Å²	122.4	76%	0.759	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-64.1	142	159.7	-77.3	-17.4	0	0	0	109.4
26	K	29.7	Very low	37.8	Very low	202 Å²	202	123.8 Å²	123.8	88%	0.878	66%	0.664	S	S	*	*			trans	-40	137.4	-175.5	-71.9	179.7	176.4	178.7	0	113.1	G28	K26-G28 PolarHBondContact O-N 3.47Å
27	P	32.5	Very low	37.9	Very low	121 Å²	121	125.6 Å²	125.6	79%	0.786	66%	0.658	S	S	*	*			trans	-69.7	120.3	-179	27.3	-31.3	0	0	0	110.9
28	G	28.8	Very low	38.2	Very low	67 Å²	67	129.9 Å²	129.9	69%	0.691	68%	0.683	S	S	*	*			trans	-67.4	144.7	161.3	0	0	0	0	0	110.6	K26	K26-G28 PolarHBondContact O-N 3.47Å
29	M	26	Very low	38.6	Very low	187 Å²	187	128.2 Å²	128.2	92%	0.921	67%	0.673	S	S	*	*			trans	-41.1	132.6	-177.5	-83.9	161.3	52.1	0	0	114.8
30	L	28.9	Very low	40	Very low	175 Å²	175	128.2 Å²	128.2	92%	0.916	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-77.5	123.3	167.7	-84.7	128.2	0	0	0	110.2
31	L	27.2	Very low	41	Very low	154 Å²	154	126.4 Å²	126.4	81%	0.806	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-79.7	147.7	164.5	-79.4	159.8	0	0	0	110.4
32	P	27.9	Very low	42.1	Very low	119 Å²	119	123 Å²	123	77%	0.773	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-70.9	140.8	-175	27.8	-32.6	0	0	0	112.4
33	R	35.7	Very low	43.4	Very low	240 Å²	240	125.5 Å²	125.5	91%	0.906	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-75.3	122.4	176.7	-79.1	179.5	169.9	178.9	-3.5	110.8
34	K	29.9	Very low	45.1	Very low	207 Å²	207	121.9 Å²	121.9	90%	0.9	66%	0.663	S	S	*	*			trans	-114.2	133.8	158.2	-84.1	-172.3	176.3	-178.8	0	109.9
35	G	33.5	Very low	46.9	Very low	66 Å²	66	118.4 Å²	118.4	68%	0.68	65%	0.647	S	S	*	*	S	Bend	trans	35.8	129.9	154	0	0	0	0	0	122.1	V37	G35-V37 PolarHBondContact O-N 3.42Å
36	N	39.8	Very low	49.1	Very low	167 Å²	167	117.5 Å²	117.5	89%	0.893	64%	0.637	S	S	*	*			trans	-5.7	74.4	158.3	-72.7	-4.1	0	0	0	118.2
37	V	38.5	Very low	51.6	Low	119 Å²	119	112.2 Å²	112.2	72%	0.721	62%	0.615	S	S	*	*			trans	-122.9	128.9	156.2	-177.1	0	0	0	0	105.9	G35 T39	G35-V37 PolarHBondContact O-N 3.42Å; V37-T39 PolarHBondContact O-N 3.44Å
38	T	47.9	Very low	54	Low	133 Å²	133	108.3 Å²	108.3	82%	0.816	59%	0.587	S	S	*	*			trans	-54.1	107.5	172.3	29.1	0	0	0	0	108.3
39	T	57.3	Low	56.6	Low	61 Å²	61	106.1 Å²	106.1	37%	0.374	56%	0.561	S	S	.	*			trans	-56.4	126.4	-177.8	-22.6	0	0	0	0	108.2	V37 I41 V43 Q44	V37-T39 PolarHBondContact O-N 3.44Å; T39-I41 PolarHBondContact O-N 3.33Å; T39-V43 HydrophobicContact CG2-CB 3.85Å; T39-V43 HydrophobicContact CG2-CG1 3.56Å; T39-Q44 PolarHBondContact O-NE2 2.98Å
40	P	74.8	Confident	59.6	Low	80 Å²	80	97.2 Å²	97.2	52%	0.519	52%	0.517	S	S	.	.			trans	-52.1	141.6	179.6	-27.4	33.8	0	0	0	111	D42 V43 Q44	P40-D42 PolarHBondContact O-N 2.79Å; P40-V43 HydrophobicContact CB-CG2 4.22Å; P40-V43 HydrophobicContact CG-CG2 4.39Å; P40-V43 WeakPolarHBondContact O-CA 3.35Å; P40-V43 WeakPolarHBondContact O-CB 3.36Å; P40-V43 PolarHBondContact O-N 3.46Å; P40-Q44 PolarHBondContact O-N 3.01Å
41	I	76.1	Confident	62.4	Low	29 Å²	29	92.6 Å²	92.6	15%	0.149	49%	0.488	C	S	.	.	H	α-helix	trans	-53.8	-35	-172.6	-161.8	167.4	0	0	0	112.6	T39 V43 Q44 R45 E115 E116	T39-I41 PolarHBondContact O-N 3.33Å; I41-V43 VanDerWaalsContact C-N 3.32Å; I41-V43 PolarHBondContact O-N 2.96Å; I41-Q44 WeakPolarHBondContact O-CB 3.24Å; I41-Q44 PolarHBondContact O-N 3.1Å; I41-R45 WeakPolarHBondContact O-CG 3.39Å; I41-R45 PolarHBondContact O-N 3.43Å; I41-E115 HydrophobicContact CD1-CB 4.24Å; I41-E115 HydrophobicContact CD1-CG 3.7Å; I41-E115 WeakPolarHBondContact CD1-OE2 3.35Å; I41-E116 HydrophobicContact CD1-CB 4.36Å; I41-E116 HydrophobicContact CD1-CG 3.5Å; I41-E116 HydrophobicContact CG1-CG 3.88Å
42	D	75.9	Confident	65.2	Low	53 Å²	53	89.4 Å²	89.4	28%	0.283	47%	0.469	S	S	.	.	H	α-helix	trans	-65.2	-34.1	177	-64.8	-43.2	0	0	0	112.9	P40 R45 K46 R118	P40-D42 PolarHBondContact O-N 2.79Å; D42-R45 IonicContact OD1-NH1 3.51Å; D42-K46 WeakPolarHBondContact O-CG 3.45Å; D42-K46 PolarHBondContact O-N 3.01Å; D42-R118 IonicContact OD2-CZ 2.58Å; D42-R118 IonicContact OD2-NH2 3.51Å; D42-R118 PolarHBondContact OD2-NH2 3.44Å
43	V	77.8	Confident	68	Low	60 Å²	60	84.3 Å²	84.3	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-72.1	-40.8	175.3	-178.8	0	0	0	0	110.2	T39 P40 I41 R45 K46 Q47	T39-V43 HydrophobicContact CG2-CB 3.85Å; T39-V43 HydrophobicContact CG2-CG1 3.56Å; P40-V43 HydrophobicContact CB-CG2 4.22Å; P40-V43 HydrophobicContact CG-CG2 4.39Å; P40-V43 WeakPolarHBondContact O-CA 3.35Å; P40-V43 WeakPolarHBondContact O-CB 3.36Å; P40-V43 PolarHBondContact O-N 3.46Å; I41-V43 VanDerWaalsContact C-N 3.32Å; I41-V43 PolarHBondContact O-N 2.96Å; V43-R45 VanDerWaalsContact C-N 3.33Å; V43-R45 PolarHBondContact O-N 2.96Å; V43-K46 PolarHBondContact O-N 3.45Å; V43-Q47 WeakPolarHBondContact O-CG 3.4Å; V43-Q47 PolarHBondContact O-N 3.07Å
44	Q	76.4	Confident	70.6	Confident	70 Å²	70	76.9 Å²	76.9	33%	0.327	41%	0.409	S	S	.	.	H	α-helix	trans	-60.3	-43.3	175.5	-60	179.2	6.8	0	0	111.2	T39 P40 I41 K46 Q47 L48	T39-Q44 PolarHBondContact O-NE2 2.98Å; P40-Q44 PolarHBondContact O-N 3.01Å; I41-Q44 WeakPolarHBondContact O-CB 3.24Å; I41-Q44 PolarHBondContact O-N 3.1Å; Q44-K46 PolarHBondContact O-N 3.04Å; Q44-Q47 WeakPolarHBondContact O-CB 3.48Å; Q44-Q47 PolarHBondContact O-N 3.14Å; Q44-Q47 VanDerWaalsContact O-N 3.07Å; Q44-L48 PolarHBondContact O-N 3.42Å
45	R	82.1	Confident	73.5	Confident	34 Å²	34	72 Å²	72	13%	0.128	40%	0.397	C	S	.	.	H	α-helix	trans	-59.7	-43.3	177.3	-71.6	173.9	68.5	-169	2.9	112.6	I41 D42 V43 Q47 L48 E116	I41-R45 WeakPolarHBondContact O-CG 3.39Å; I41-R45 PolarHBondContact O-N 3.43Å; D42-R45 IonicContact OD1-NH1 3.51Å; V43-R45 VanDerWaalsContact C-N 3.33Å; V43-R45 PolarHBondContact O-N 2.96Å; R45-Q47 PolarHBondContact O-N 3.46Å; R45-L48 WeakPolarHBondContact O-CB 3.43Å; R45-L48 PolarHBondContact O-N 2.84Å; R45-L48 VanDerWaalsContact O-N 3.11Å; R45-E116 WeakPolarHBondContact CD-OE2 3.41Å; R45-E116 HydrophobicContact CG-CG 4.33Å; R45-E116 IonicContact CZ-OE2 2.63Å; R45-E116 IonicContact NE-OE2 3.83Å; R45-E116 PolarHBondContact NE-OE2 3.41Å; R45-E116 PolarHBondContact NH1-O 2.91Å
46	K	84.1	Confident	76.1	Confident	123 Å²	123	73.4 Å²	73.4	54%	0.535	38%	0.381	S	S	.	.	H	α-helix	trans	-63.6	-23.6	176.8	-71.4	179.4	179.3	-179.1	0	113.2	D42 V43 Q44 Y51	D42-K46 WeakPolarHBondContact O-CG 3.45Å; D42-K46 PolarHBondContact O-N 3.01Å; V43-K46 PolarHBondContact O-N 3.45Å; Q44-K46 PolarHBondContact O-N 3.04Å; K46-Y51 HydrophobicContact CB-CD1 4.33Å; K46-Y51 HydrophobicContact CB-CE1 4.27Å; K46-Y51 HydrophobicContact CG-CD1 4.43Å; K46-Y51 HydrophobicContact CG-CD2 4.31Å; K46-Y51 HydrophobicContact CG-CE1 3.95Å; K46-Y51 HydrophobicContact CG-CE2 3.79Å
47	Q	83	Confident	78.5	Confident	92 Å²	92	65.6 Å²	65.6	43%	0.43	34%	0.34	S	S	.	.	H	α-helix	trans	-82.6	-12	177.2	-68.4	173.6	5	0	0	113.1	V43 Q44 R45 R228	V43-Q47 WeakPolarHBondContact O-CG 3.4Å; V43-Q47 PolarHBondContact O-N 3.07Å; Q44-Q47 WeakPolarHBondContact O-CB 3.48Å; Q44-Q47 PolarHBondContact O-N 3.14Å; Q44-Q47 VanDerWaalsContact O-N 3.07Å; R45-Q47 PolarHBondContact O-N 3.46Å; Q47-R228 PolarHBondContact O-NH1 3.49Å; Q47-R228 PolarHBondContact O-NH2 3.04Å
48	L	83.1	Confident	81.1	Confident	39 Å²	39	60.7 Å²	60.7	20%	0.204	31%	0.31	C	S	.	.	S	Bend	trans	-67.8	142.8	179.4	-65.7	171.6	0	0	0	111.3	Q44 R45 I50 Y51 Q80	Q44-L48 PolarHBondContact O-N 3.42Å; R45-L48 WeakPolarHBondContact O-CB 3.43Å; R45-L48 PolarHBondContact O-N 2.84Å; R45-L48 VanDerWaalsContact O-N 3.11Å; L48-I50 HydrophobicContact CB-CG2 4.18Å; L48-I50 PolarHBondContact O-N 3.41Å; L48-Y51 VanDerWaalsContact O-CB 3.32Å; L48-Y51 WeakPolarHBondContact O-CB 3.46Å; L48-Y51 PolarHBondContact O-N 3.5Å; L48-Q80 HydrophobicContact CD1-CG 3.81Å
49	P	83.1	Confident	83.3	Confident	20 Å²	20	57.9 Å²	57.9	13%	0.13	29%	0.29	C	S	.	.	H	α-helix	trans	-52.2	-41.4	178.1	-28.1	35	0	0	0	113.3	Y51 Q52 S75 R228	P49-Y51 PolarHBondContact O-N 3Å; P49-Q52 PolarHBondContact O-N 3.14Å; P49-S75 WeakPolarHBondContact CD-O 3.38Å; P49-R228 HydrophobicContact CG-CB 4.36Å; P49-R228 HydrophobicContact CG-CG 3.93Å
50	I	88.2	Confident	84.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-21.8	-178.8	-161.2	168.3	0	0	0	114.2	L48 Q52 A53 R54 I57 S75 Q80 I81 Y84 L225	L48-I50 HydrophobicContact CB-CG2 4.18Å; L48-I50 PolarHBondContact O-N 3.41Å; I50-Q52 VanDerWaalsContact C-N 3.33Å; I50-Q52 PolarHBondContact O-N 3.1Å; I50-A53 PolarHBondContact O-N 3.42Å; I50-R54 PolarHBondContact O-N 3.24Å; I50-I57 HydrophobicContact CD1-CD1 4.04Å; I50-I57 HydrophobicContact CG1-CD1 3.49Å; I50-I57 VanDerWaalsContact CG1-CD1 3.49Å; I50-S75 VanDerWaalsContact CB-O 3.3Å; I50-S75 WeakPolarHBondContact CB-O 2.97Å; I50-S75 VanDerWaalsContact CG2-O 3.29Å; I50-S75 WeakPolarHBondContact CG2-O 3.25Å; I50-S75 PolarHBondContact N-O 3.33Å; I50-S75 VanDerWaalsContact N-O 3.16Å; I50-Q80 HydrophobicContact CG2-CB 3.78Å; I50-Q80 HydrophobicContact CG2-CG 3.69Å; I50-I81 HydrophobicContact CD1-CD1 3.78Å; I50-I81 HydrophobicContact CD1-CG1 3.48Å; I50-I81 VanDerWaalsContact CD1-CG1 3.48Å; I50-Y84 HydrophobicContact CG1-CE2 4.26Å; I50-L225 HydrophobicContact CD1-CD1 3.64Å; I50-L225 HydrophobicContact CG1-CD1 3.85Å; I50-L225 HydrophobicContact CG1-CD2 4.25Å
51	Y	88.6	Confident	85.7	Confident	79 Å²	79	53 Å²	53	31%	0.31	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-39.8	-177.5	-173.3	-93	0	0	0	112.1	K46 L48 P49 A53 R54	K46-Y51 HydrophobicContact CB-CD1 4.33Å; K46-Y51 HydrophobicContact CB-CE1 4.27Å; K46-Y51 HydrophobicContact CG-CD1 4.43Å; K46-Y51 HydrophobicContact CG-CD2 4.31Å; K46-Y51 HydrophobicContact CG-CE1 3.95Å; K46-Y51 HydrophobicContact CG-CE2 3.79Å; L48-Y51 VanDerWaalsContact O-CB 3.32Å; L48-Y51 WeakPolarHBondContact O-CB 3.46Å; L48-Y51 PolarHBondContact O-N 3.5Å; P49-Y51 PolarHBondContact O-N 3Å; Y51-A53 PolarHBondContact O-N 2.92Å; Y51-R54 VanDerWaalsContact O-CB 3.29Å; Y51-R54 WeakPolarHBondContact O-CB 3.38Å; Y51-R54 PolarHBondContact O-N 3.38Å
52	Q	85.8	Confident	86.4	Confident	86 Å²	86	57.6 Å²	57.6	40%	0.402	27%	0.271	S	S	.	.	H	α-helix	trans	-64.9	-30	179	-66.4	178	-13.1	0	0	112.1	P49 I50	P49-Q52 PolarHBondContact O-N 3.14Å; I50-Q52 VanDerWaalsContact C-N 3.33Å; I50-Q52 PolarHBondContact O-N 3.1Å
53	A	86.5	Confident	87.1	Confident	13 Å²	13	62.5 Å²	62.5	11%	0.107	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.2	-179.5	0	0	0	0	0	113.7	L22 I50 Y51 T55 R56 I57 L225	L22-A53 HydrophobicContact CB-CB 4.31Å; L22-A53 HydrophobicContact CD1-CB 4.26Å; I50-A53 PolarHBondContact O-N 3.42Å; Y51-A53 PolarHBondContact O-N 2.92Å; A53-T55 PolarHBondContact O-N 3.12Å; A53-R56 PolarHBondContact O-N 2.89Å; A53-R56 VanDerWaalsContact O-N 3.14Å; A53-I57 HydrophobicContact CB-CD1 3.77Å; A53-I57 HydrophobicContact CB-CG1 4.07Å; A53-I57 VanDerWaalsContact O-CG1 3.28Å; A53-I57 WeakPolarHBondContact O-CG1 3.36Å; A53-I57 PolarHBondContact O-N 3.02Å; A53-L225 HydrophobicContact CB-CD2 3.93Å
54	R	90.6	Very high	87.7	Confident	84 Å²	84	61 Å²	61	32%	0.317	28%	0.283	S	S	.	.	H	α-helix	trans	-48.4	-55.4	-172.2	177.8	179.5	-178.2	-153.4	-0.6	113.5	I50 Y51 R56 I57 V58 Y84 E87	I50-R54 PolarHBondContact O-N 3.24Å; Y51-R54 VanDerWaalsContact O-CB 3.29Å; Y51-R54 WeakPolarHBondContact O-CB 3.38Å; Y51-R54 PolarHBondContact O-N 3.38Å; R54-R56 VanDerWaalsContact C-N 3.32Å; R54-R56 PolarHBondContact O-N 2.58Å; R54-I57 PolarHBondContact O-N 2.95Å; R54-V58 WeakPolarHBondContact O-CB 3.41Å; R54-V58 VanDerWaalsContact O-CG2 3.3Å; R54-V58 WeakPolarHBondContact O-CG2 3.45Å; R54-V58 PolarHBondContact O-N 3.06Å; R54-Y84 HydrophobicContact CB-CD2 4.35Å; R54-Y84 HydrophobicContact CB-CE2 3.82Å; R54-Y84 VanDerWaalsContact CD-CE1 3.47Å; R54-Y84 HydrophobicContact CG-CD1 3.96Å; R54-Y84 HydrophobicContact CG-CD2 3.87Å; R54-Y84 HydrophobicContact CG-CE1 3.81Å; R54-Y84 HydrophobicContact CG-CE2 3.71Å; R54-Y84 HydrophobicContact CG-CG 3.99Å; R54-E87 IonicContact CZ-OE2 3.67Å; R54-E87 IonicContact NE-OE2 2.95Å; R54-E87 IonicContact NH2-OE2 3.41Å; R54-E87 PolarHBondContact NH2-OE2 2.99Å
55	T	90.2	Very high	88.3	Confident	104 Å²	104	62.6 Å²	62.6	64%	0.638	29%	0.289	S	S	*	.	H	α-helix	trans	-61.5	-42.7	-175.8	-52	0	0	0	0	111.5	A53 V58 N59	A53-T55 PolarHBondContact O-N 3.12Å; T55-V58 PolarHBondContact O-N 3.41Å; T55-N59 WeakPolarHBondContact O-CB 3.36Å; T55-N59 VanDerWaalsContact O-CG 3.22Å; T55-N59 PolarHBondContact O-N 2.63Å; T55-N59 PolarHBondContact O-ND2 2.91Å
56	R	88.9	Confident	88.8	Confident	96 Å²	96	62 Å²	62	36%	0.362	29%	0.289	S	S	.	.	H	α-helix	trans	-68.3	-47.8	-179.7	-168	167.2	172.3	-161.9	-8.2	111.2	R21 L22 A53 R54 V58 N59 E60	R21-R56 VanDerWaalsContact O-CZ 3.28Å; R21-R56 PolarHBondContact O-NH1 2.93Å; R21-R56 PolarHBondContact O-NH2 2.63Å; L22-R56 HydrophobicContact CD2-CB 4Å; L22-R56 HydrophobicContact CD2-CG 3.46Å; L22-R56 VanDerWaalsContact CD2-CG 3.46Å; A53-R56 PolarHBondContact O-N 2.89Å; A53-R56 VanDerWaalsContact O-N 3.14Å; R54-R56 VanDerWaalsContact C-N 3.32Å; R54-R56 PolarHBondContact O-N 2.58Å; R56-V58 VanDerWaalsContact C-N 3.31Å; R56-V58 PolarHBondContact O-N 2.96Å; R56-N59 PolarHBondContact O-N 2.77Å; R56-N59 VanDerWaalsContact O-N 3.14Å; R56-E60 WeakPolarHBondContact O-CG 3.17Å; R56-E60 PolarHBondContact O-N 3.31Å
57	I	90.6	Very high	89.3	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.015	27%	0.265	C	S	.	.	H	α-helix	trans	-54.3	-47.8	175.1	-66.2	166	0	0	0	111	L22 I50 A53 R54 N59 E60 L61 L225	L22-I57 HydrophobicContact CD1-CD1 4.46Å; L22-I57 HydrophobicContact CD1-CG1 3.77Å; I50-I57 HydrophobicContact CD1-CD1 4.04Å; I50-I57 HydrophobicContact CG1-CD1 3.49Å; I50-I57 VanDerWaalsContact CG1-CD1 3.49Å; A53-I57 HydrophobicContact CB-CD1 3.77Å; A53-I57 HydrophobicContact CB-CG1 4.07Å; A53-I57 VanDerWaalsContact O-CG1 3.28Å; A53-I57 WeakPolarHBondContact O-CG1 3.36Å; A53-I57 PolarHBondContact O-N 3.02Å; R54-I57 PolarHBondContact O-N 2.95Å; I57-N59 VanDerWaalsContact C-N 3.34Å; I57-N59 PolarHBondContact O-N 2.88Å; I57-E60 PolarHBondContact O-N 3.31Å; I57-L61 HydrophobicContact CG2-CD1 3.51Å; I57-L61 HydrophobicContact CG2-CG 4.11Å; I57-L61 VanDerWaalsContact O-CB 3.32Å; I57-L61 WeakPolarHBondContact O-CB 3.33Å; I57-L61 VanDerWaalsContact O-CG 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.28Å; I57-L61 PolarHBondContact O-N 2.78Å; I57-L225 HydrophobicContact CD1-CD1 4.34Å; I57-L225 HydrophobicContact CD1-CD2 3.49Å; I57-L225 VanDerWaalsContact CD1-CD2 3.49Å; I57-L225 HydrophobicContact CD1-CG 4.49Å; I57-L225 HydrophobicContact CG1-CD2 4.08Å
58	V	92.9	Very high	89.9	Confident	15 Å²	15	52 Å²	52	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-42.6	-179.9	167.1	0	0	0	0	111.4	R54 T55 R56 R62 A88 I90	R54-V58 WeakPolarHBondContact O-CB 3.41Å; R54-V58 VanDerWaalsContact O-CG2 3.3Å; R54-V58 WeakPolarHBondContact O-CG2 3.45Å; R54-V58 PolarHBondContact O-N 3.06Å; T55-V58 PolarHBondContact O-N 3.41Å; R56-V58 VanDerWaalsContact C-N 3.31Å; R56-V58 PolarHBondContact O-N 2.96Å; V58-R62 WeakPolarHBondContact O-CG 3.3Å; V58-R62 PolarHBondContact O-N 2.79Å; V58-R62 VanDerWaalsContact O-N 3.07Å; V58-A88 HydrophobicContact CG1-CB 3.42Å; V58-A88 VanDerWaalsContact CG1-CB 3.42Å; V58-A88 HydrophobicContact CG2-CB 4.3Å; V58-I90 HydrophobicContact CG1-CD1 4.28Å
59	N	92.5	Very high	90.3	Very high	74 Å²	74	50.1 Å²	50.1	40%	0.396	24%	0.235	S	C	.	.	H	α-helix	trans	-65	-44.5	179.3	-72.5	-14.8	0	0	0	112.1	T55 R56 I57 R62	T55-N59 WeakPolarHBondContact O-CB 3.36Å; T55-N59 VanDerWaalsContact O-CG 3.22Å; T55-N59 PolarHBondContact O-N 2.63Å; T55-N59 PolarHBondContact O-ND2 2.91Å; R56-N59 PolarHBondContact O-N 2.77Å; R56-N59 VanDerWaalsContact O-N 3.14Å; I57-N59 VanDerWaalsContact C-N 3.34Å; I57-N59 PolarHBondContact O-N 2.88Å; N59-R62 PolarHBondContact O-N 2.97Å; N59-R62 PolarHBondContact OD1-NH1 2.97Å
60	E	91.8	Very high	90.6	Very high	37 Å²	37	49.4 Å²	49.4	17%	0.173	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-52	175.2	-63.4	-61.7	162.5	0	0	110.7	R56 I57 R62 Q63 L64 L223	R56-E60 WeakPolarHBondContact O-CG 3.17Å; R56-E60 PolarHBondContact O-N 3.31Å; I57-E60 PolarHBondContact O-N 3.31Å; E60-R62 PolarHBondContact O-N 2.91Å; E60-R62 VanDerWaalsContact O-N 3.1Å; E60-Q63 PolarHBondContact O-N 2.98Å; E60-L64 WeakPolarHBondContact O-CG 3.41Å; E60-L64 PolarHBondContact O-N 3.43Å; E60-L223 HydrophobicContact CB-CD1 4.17Å; E60-L223 HydrophobicContact CB-CD2 4.19Å; E60-L223 HydrophobicContact CG-CD2 4.2Å
61	L	91.9	Very high	90.3	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-22.7	-177.3	-69.5	178.1	0	0	0	113.6	I57 Q63 A67 I81 L85 R200 I202 L223	I57-L61 HydrophobicContact CG2-CD1 3.51Å; I57-L61 HydrophobicContact CG2-CG 4.11Å; I57-L61 VanDerWaalsContact O-CB 3.32Å; I57-L61 WeakPolarHBondContact O-CB 3.33Å; I57-L61 VanDerWaalsContact O-CG 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.28Å; I57-L61 PolarHBondContact O-N 2.78Å; L61-Q63 VanDerWaalsContact C-N 3.32Å; L61-A67 HydrophobicContact CD2-CB 3.56Å; L61-I81 HydrophobicContact CD1-CG2 4.46Å; L61-L85 HydrophobicContact CB-CD2 4.38Å; L61-L85 HydrophobicContact CD1-CD2 3.99Å; L61-R200 PolarHBondContact O-NE 3.23Å; L61-R200 PolarHBondContact O-NH2 3.18Å; L61-I202 HydrophobicContact CD1-CD1 4.11Å; L61-I202 HydrophobicContact CD2-CD1 4.02Å; L61-I202 HydrophobicContact CD2-CG1 4.21Å; L61-L223 HydrophobicContact CD2-CD1 3.91Å; L61-L223 HydrophobicContact CG-CD1 4.21Å
62	R	91.5	Very high	89.7	Confident	125 Å²	125	47.8 Å²	47.8	47%	0.472	23%	0.226	S	C	.	.	H	α-helix	trans	-63.5	-39	172	-82.4	176.5	-177.7	152.5	-3.5	112.2	V58 N59 E60 I90 R200	V58-R62 WeakPolarHBondContact O-CG 3.3Å; V58-R62 PolarHBondContact O-N 2.79Å; V58-R62 VanDerWaalsContact O-N 3.07Å; N59-R62 PolarHBondContact O-N 2.97Å; N59-R62 PolarHBondContact OD1-NH1 2.97Å; E60-R62 PolarHBondContact O-N 2.91Å; E60-R62 VanDerWaalsContact O-N 3.1Å; R62-I90 HydrophobicContact CG-CD1 3.64Å; R62-I90 HydrophobicContact CG-CG1 3.91Å; R62-R200 PolarHBondContact O-NH2 3.27Å
63	Q	89.8	Confident	89.2	Confident	155 Å²	155	44.8 Å²	44.8	72%	0.724	21%	0.213	S	C	*	.	H	α-helix	trans	-87.8	-18.2	-174	-60.1	-176.7	-0.2	0	0	112.7	E60 L61	E60-Q63 PolarHBondContact O-N 2.98Å; L61-Q63 VanDerWaalsContact C-N 3.32Å
64	L	90.3	Very high	88.6	Confident	30 Å²	30	46.1 Å²	46.1	16%	0.157	23%	0.228	C	C	.	.			trans	-94.2	136.8	-175.7	-62	178.8	0	0	0	112.7	E60 A67 R200 P221	E60-L64 WeakPolarHBondContact O-CG 3.41Å; E60-L64 PolarHBondContact O-N 3.43Å; L64-A67 HydrophobicContact CD1-CB 3.97Å; L64-R200 PolarHBondContact O-NE 3.41Å; L64-R200 PolarHBondContact O-NH2 2.83Å; L64-P221 HydrophobicContact CD1-CB 4.1Å; L64-P221 HydrophobicContact CD1-CG 4.31Å; L64-P221 HydrophobicContact CD2-CB 4.38Å; L64-P221 HydrophobicContact CD2-CG 3.73Å
65	H	89.3	Confident	88.2	Confident	102 Å²	102	42.3 Å²	42.3	47%	0.472	21%	0.214	S	C	.	.	S	Bend	trans	-82.5	-35	166.1	-68.6	-68.7	0	0	0	112	R200 V201	H65-R200 CarbonylContact O-C 3.55Å; H65-R200 VanDerWaalsContact O-CA 3.28Å; H65-R200 WeakPolarHBondContact O-CA 2.99Å; H65-R200 WeakPolarHBondContact O-CG 3.29Å; H65-V201 PolarHBondContact O-N 3.28Å
66	N	93.3	Very high	88	Confident	23 Å²	23	37.7 Å²	37.7	12%	0.123	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.2	177	-66.5	-22	0	0	0	109.5	Q188 V201 S220	N66-Q188 PolarHBondContact OD1-NE2 3.42Å; N66-Q188 PolarHBondContact OD1-OE1 2.84Å; N66-V201 VanDerWaalsContact CA-O 3.25Å; N66-V201 WeakPolarHBondContact CA-O 3.46Å; N66-S220 WeakPolarHBondContact CB-OG 3.29Å
67	A	94.3	Very high	88.1	Confident	2 Å²	2	33.3 Å²	33.3	2%	0.017	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	139.5	173.5	0	0	0	0	0	110.8	L61 L64 V201 I202 V203 L223	L61-A67 HydrophobicContact CD2-CB 3.56Å; L64-A67 HydrophobicContact CD1-CB 3.97Å; A67-V201 PolarHBondContact N-O 3.28Å; A67-V201 VanDerWaalsContact N-O 3.11Å; A67-I202 WeakPolarHBondContact O-CA 3.3Å; A67-V203 PolarHBondContact O-N 2.77Å; A67-L223 HydrophobicContact CB-CD1 4.44Å
68	I	94.3	Very high	88.1	Confident	1 Å²	1	34 Å²	34	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.2	168.9	-48.4	-55.2	0	0	0	107.4	I70 V203 V210 F213 F217 P221 V222 L223	I68-I70 HydrophobicContact CG2-CG1 4.46Å; I68-V203 CarbonylContact C-O 3.57Å; I68-V203 WeakPolarHBondContact CA-O 3.4Å; I68-V203 HydrophobicContact CD1-CB 3.66Å; I68-V203 HydrophobicContact CD1-CG1 4.41Å; I68-V203 HydrophobicContact CD1-CG2 3.82Å; I68-V210 HydrophobicContact CG2-CG1 4Å; I68-F213 HydrophobicContact CD1-CB 3.95Å; I68-F213 HydrophobicContact CG1-CB 4.3Å; I68-F213 HydrophobicContact CG2-CB 4.22Å; I68-F217 HydrophobicContact CD1-CB 4.41Å; I68-F217 HydrophobicContact CD1-CD2 4.08Å; I68-P221 PolarHBondContact N-O 3.22Å; I68-V222 HydrophobicContact CB-CG2 4.34Å; I68-V222 CarbonylContact O-C 3.58Å; I68-V222 WeakPolarHBondContact O-CA 3.28Å; I68-L223 PolarHBondContact O-N 3.2Å
69	V	92.5	Very high	88.1	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.3	178.9	-174.3	0	0	0	0	109.6	K77 I81 I202 V203 M204 S205 L223 L225	V69-K77 HydrophobicContact CG1-CD 4.26Å; V69-I81 HydrophobicContact CB-CD1 4.42Å; V69-I81 HydrophobicContact CG1-CD1 3.79Å; V69-I202 HydrophobicContact CG2-CG2 3.78Å; V69-V203 PolarHBondContact N-O 3.21Å; V69-M204 HydrophobicContact CB-CG 4.21Å; V69-M204 VanDerWaalsContact O-CA 3.3Å; V69-M204 WeakPolarHBondContact O-CA 3.34Å; V69-S205 PolarHBondContact O-N 3.4Å; V69-L223 WeakPolarHBondContact CA-O 3.23Å; V69-L223 HydrophobicContact CG2-CB 4.33Å; V69-L223 HydrophobicContact CG2-CD1 4.33Å; V69-L225 HydrophobicContact CG1-CD1 3.72Å; V69-L225 HydrophobicContact CG1-CG 4.33Å
70	I	88.1	Confident	88.2	Confident	5 Å²	5	30.8 Å²	30.8	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.6	178.1	-52.1	152.4	0	0	0	108.7	I68 S205 V210 V222 L223 Y224 L225	I68-I70 HydrophobicContact CG2-CG1 4.46Å; I70-S205 WeakPolarHBondContact CA-O 3.32Å; I70-V210 HydrophobicContact CD1-CB 3.99Å; I70-V210 HydrophobicContact CD1-CG1 3.59Å; I70-V210 HydrophobicContact CD1-CG2 3.14Å; I70-V210 HydrophobicContact CG1-CG1 4.25Å; I70-V210 HydrophobicContact CG1-CG2 3.91Å; I70-V222 HydrophobicContact CD1-CG1 3.27Å; I70-V222 HydrophobicContact CG1-CG1 4.18Å; I70-L223 PolarHBondContact N-O 3.31Å; I70-Y224 HydrophobicContact CB-CD2 3.99Å; I70-Y224 HydrophobicContact CD1-CD2 4.26Å; I70-Y224 HydrophobicContact CG2-CD2 3.95Å; I70-Y224 HydrophobicContact CG2-CE2 4.16Å; I70-L225 WeakPolarHBondContact O-CB 3.48Å; I70-L225 PolarHBondContact O-N 3.21Å
71	G	82.9	Confident	88.3	Confident	2 Å²	2	29.1 Å²	29.1	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	158	163.1	0	0	0	0	0	108.9	K77 S205 A206	G71-K77 VanDerWaalsContact O-CE 3.23Å; G71-K77 WeakPolarHBondContact O-CE 3.31Å; G71-K77 PolarHBondContact O-NZ 3.43Å; G71-S205 PolarHBondContact N-O 3.28Å; G71-S205 VanDerWaalsContact N-O 3.16Å; G71-A206 WeakPolarHBondContact O-CA 3.36Å
72	E	76.3	Confident	88.5	Confident	43 Å²	43	29 Å²	29	20%	0.201	15%	0.15	C	C	.	.			trans	-63.5	156	-179.9	-64.7	158.4	-171	0	0	111.3	G74 S75 K77 Q229	E72-G74 PolarHBondContact O-N 2.95Å; E72-S75 VanDerWaalsContact O-CB 3.25Å; E72-S75 WeakPolarHBondContact O-CB 3.39Å; E72-S75 PolarHBondContact O-N 2.9Å; E72-S75 PolarHBondContact O-OG 2.9Å; E72-K77 PolarHBondContact O-NZ 2.92Å; E72-Q229 VanDerWaalsContact OE1-CD 3.26Å; E72-Q229 PolarHBondContact OE1-OE1 2.71Å; E72-Q229 WeakPolarHBondContact OE2-CB 3.28Å; E72-Q229 WeakPolarHBondContact OE2-CG 3.26Å; E72-Q229 PolarHBondContact OE2-NE2 2.82Å
73	T	74.6	Confident	88.7	Confident	23 Å²	23	23 Å²	23	14%	0.141	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	138.1	169.3	-53.1	0	0	0	0	109.7	S75 T333 R379	T73-S75 VanDerWaalsContact C-N 3.34Å; T73-T333 WeakPolarHBondContact CG2-O 3.4Å; T73-R379 PolarHBondContact OG1-NH2 3.14Å
74	G	74.9	Confident	88.9	Confident	41 Å²	41	15.9 Å²	15.9	42%	0.423	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-9.3	-175.4	0	0	0	0	0	114.4	E72 G76	E72-G74 PolarHBondContact O-N 2.95Å; G74-G76 PolarHBondContact O-N 3.14Å
75	S	81.8	Confident	89.2	Confident	3 Å²	3	14.5 Å²	14.5	2%	0.021	9%	0.087	C	C	.	.	S	Bend	trans	-63.7	-18.3	172.3	53.4	0	0	0	0	114.5	P49 I50 E72 T73 K77	P49-S75 WeakPolarHBondContact CD-O 3.38Å; I50-S75 VanDerWaalsContact CB-O 3.3Å; I50-S75 WeakPolarHBondContact CB-O 2.97Å; I50-S75 VanDerWaalsContact CG2-O 3.29Å; I50-S75 WeakPolarHBondContact CG2-O 3.25Å; I50-S75 PolarHBondContact N-O 3.33Å; I50-S75 VanDerWaalsContact N-O 3.16Å; E72-S75 VanDerWaalsContact O-CB 3.25Å; E72-S75 WeakPolarHBondContact O-CB 3.39Å; E72-S75 PolarHBondContact O-N 2.9Å; E72-S75 PolarHBondContact O-OG 2.9Å; T73-S75 VanDerWaalsContact C-N 3.34Å; S75-K77 WeakPolarHBondContact OG-CG 3.48Å; S75-K77 PolarHBondContact OG-NZ 3.38Å
76	G	86.6	Confident	89.4	Confident	8 Å²	8	12.2 Å²	12.2	8%	0.082	8%	0.076	C	C	.	.	S	Bend	trans	94.9	9.6	-178.8	0	0	0	0	0	115.4	G74 T78 T79 Q80	G74-G76 PolarHBondContact O-N 3.14Å; G76-T78 PolarHBondContact O-N 2.97Å; G76-T79 PolarHBondContact O-N 3.31Å; G76-T79 PolarHBondContact O-OG1 3.34Å; G76-Q80 VanDerWaalsContact O-CB 3.29Å; G76-Q80 WeakPolarHBondContact O-CB 3.29Å; G76-Q80 WeakPolarHBondContact O-CG 3.36Å; G76-Q80 PolarHBondContact O-N 2.73Å
77	K	90.4	Very high	89.5	Confident	4 Å²	4	14.1 Å²	14.1	2%	0.017	8%	0.084	C	C	.	.	H	α-helix	trans	-48.8	-61.7	179	-65.4	-176.3	-45.8	-60.5	0	112.6	V69 G71 E72 S75 T79 Q80 I81 M204 L225	V69-K77 HydrophobicContact CG1-CD 4.26Å; G71-K77 VanDerWaalsContact O-CE 3.23Å; G71-K77 WeakPolarHBondContact O-CE 3.31Å; G71-K77 PolarHBondContact O-NZ 3.43Å; E72-K77 PolarHBondContact O-NZ 2.92Å; S75-K77 WeakPolarHBondContact OG-CG 3.48Å; S75-K77 PolarHBondContact OG-NZ 3.38Å; K77-T79 VanDerWaalsContact C-N 3.34Å; K77-T79 PolarHBondContact O-N 2.88Å; K77-Q80 PolarHBondContact O-N 3.11Å; K77-I81 HydrophobicContact CB-CD1 3.98Å; K77-I81 HydrophobicContact CG-CD1 4.27Å; K77-I81 VanDerWaalsContact O-CB 3.29Å; K77-I81 WeakPolarHBondContact O-CB 2.89Å; K77-I81 WeakPolarHBondContact O-CG1 3.35Å; K77-I81 PolarHBondContact O-N 3.07Å; K77-M204 HydrophobicContact CB-SD 4.13Å; K77-L225 HydrophobicContact CD-CD1 4.29Å; K77-L225 HydrophobicContact CG-CD1 3.81Å
78	T	91.2	Very high	89.5	Confident	17 Å²	17	15.3 Å²	15.3	10%	0.104	9%	0.094	C	C	.	.	H	α-helix	trans	-61.7	-39	-173.2	-47.1	0	0	0	0	113.4	G76 P82 L109 D168	G76-T78 PolarHBondContact O-N 2.97Å; T78-P82 VanDerWaalsContact O-CD 3.31Å; T78-P82 WeakPolarHBondContact O-CD 2.99Å; T78-P82 WeakPolarHBondContact O-CG 3.17Å; T78-L109 HydrophobicContact CG2-CD1 3.32Å; T78-L109 HydrophobicContact CG2-CD2 3.77Å; T78-L109 HydrophobicContact CG2-CG 4.07Å; T78-D168 WeakPolarHBondContact CB-OD2 3.46Å; T78-D168 WeakPolarHBondContact CG2-OD2 3.25Å; T78-D168 PolarHBondContact OG1-OD2 2.78Å
79	T	91.6	Very high	89.4	Confident	22 Å²	22	16.6 Å²	16.6	14%	0.135	11%	0.108	C	C	.	.	H	α-helix	trans	-82.2	-40.1	-178.4	56.4	0	0	0	0	111.8	G76 K77 Q83 L109 R112 V113	G76-T79 PolarHBondContact O-N 3.31Å; G76-T79 PolarHBondContact O-OG1 3.34Å; K77-T79 VanDerWaalsContact C-N 3.34Å; K77-T79 PolarHBondContact O-N 2.88Å; T79-Q83 WeakPolarHBondContact O-CG 3.44Å; T79-Q83 PolarHBondContact O-NE2 2.58Å; T79-L109 HydrophobicContact CG2-CD2 3.86Å; T79-R112 HydrophobicContact CG2-CG 4.47Å; T79-V113 HydrophobicContact CG2-CG2 4.3Å
80	Q	94.5	Very high	89.2	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-95.1	-36	-169.3	-55.5	-49.7	-68	0	0	114.5	L48 I50 G76 K77 Q83 Y84 E116	L48-Q80 HydrophobicContact CD1-CG 3.81Å; I50-Q80 HydrophobicContact CG2-CB 3.78Å; I50-Q80 HydrophobicContact CG2-CG 3.69Å; G76-Q80 VanDerWaalsContact O-CB 3.29Å; G76-Q80 WeakPolarHBondContact O-CB 3.29Å; G76-Q80 WeakPolarHBondContact O-CG 3.36Å; G76-Q80 PolarHBondContact O-N 2.73Å; K77-Q80 PolarHBondContact O-N 3.11Å; Q80-Q83 WeakPolarHBondContact O-CB 3.39Å; Q80-Q83 PolarHBondContact O-N 2.86Å; Q80-Q83 VanDerWaalsContact O-N 3.13Å; Q80-Y84 HydrophobicContact CB-CD2 4.34Å; Q80-Y84 HydrophobicContact CB-CE1 4.08Å; Q80-Y84 HydrophobicContact CB-CE2 3.77Å; Q80-Y84 WeakPolarHBondContact O-CD1 3.44Å; Q80-Y84 PolarHBondContact O-N 3.47Å; Q80-E116 PolarHBondContact NE2-OE2 2.66Å
81	I	95.3	Very high	88.7	Confident	1 Å²	1	17.6 Å²	17.6	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-57.8	-48.1	-177.9	-70	169.3	0	0	0	111.9	I50 L61 V69 K77 Q83 Y84 L85 M204	I50-I81 HydrophobicContact CD1-CD1 3.78Å; I50-I81 HydrophobicContact CD1-CG1 3.48Å; I50-I81 VanDerWaalsContact CD1-CG1 3.48Å; L61-I81 HydrophobicContact CD1-CG2 4.46Å; V69-I81 HydrophobicContact CB-CD1 4.42Å; V69-I81 HydrophobicContact CG1-CD1 3.79Å; K77-I81 HydrophobicContact CB-CD1 3.98Å; K77-I81 HydrophobicContact CG-CD1 4.27Å; K77-I81 VanDerWaalsContact O-CB 3.29Å; K77-I81 WeakPolarHBondContact O-CB 2.89Å; K77-I81 WeakPolarHBondContact O-CG1 3.35Å; K77-I81 PolarHBondContact O-N 3.07Å; I81-Q83 VanDerWaalsContact C-N 3.27Å; I81-Q83 PolarHBondContact O-N 3.25Å; I81-Y84 PolarHBondContact O-N 3.27Å; I81-L85 HydrophobicContact CG2-CD1 3.87Å; I81-L85 HydrophobicContact CG2-CG 4.28Å; I81-L85 VanDerWaalsContact O-CG 3.28Å; I81-L85 WeakPolarHBondContact O-CG 3.38Å; I81-L85 PolarHBondContact O-N 2.96Å; I81-M204 HydrophobicContact CB-SD 4.17Å; I81-M204 HydrophobicContact CD1-SD 3.44Å; I81-M204 WeakPolarHBondContact CD1-SD 3.36Å; I81-M204 HydrophobicContact CG1-SD 4.36Å; I81-M204 HydrophobicContact CG2-SD 4.25Å
82	P	95.5	Very high	88.7	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.8	-39.9	177.3	-24.4	35.5	0	0	0	112.7	T78 F86 I98 L141 F143	T78-P82 VanDerWaalsContact O-CD 3.31Å; T78-P82 WeakPolarHBondContact O-CD 2.99Å; T78-P82 WeakPolarHBondContact O-CG 3.17Å; P82-F86 PolarHBondContact O-N 3.17Å; P82-F86 VanDerWaalsContact O-N 3.12Å; P82-I98 HydrophobicContact CB-CD1 3.95Å; P82-I98 HydrophobicContact CB-CG1 3.78Å; P82-I98 HydrophobicContact CG-CD1 4.25Å; P82-I98 HydrophobicContact CG-CG1 3.52Å; P82-I98 HydrophobicContact CG-CG2 4.42Å; P82-L141 HydrophobicContact CB-CD2 4.16Å; P82-F143 HydrophobicContact CG-CZ 4.44Å
83	Q	95	Very high	89.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-42.3	177.8	-63	-174.8	63.7	0	0	111.8	T79 Q80 I81 F86 E87 V113 E116 L141	T79-Q83 WeakPolarHBondContact O-CG 3.44Å; T79-Q83 PolarHBondContact O-NE2 2.58Å; Q80-Q83 WeakPolarHBondContact O-CB 3.39Å; Q80-Q83 PolarHBondContact O-N 2.86Å; Q80-Q83 VanDerWaalsContact O-N 3.13Å; I81-Q83 VanDerWaalsContact C-N 3.27Å; I81-Q83 PolarHBondContact O-N 3.25Å; Q83-F86 PolarHBondContact O-N 2.99Å; Q83-E87 WeakPolarHBondContact O-CB 3.46Å; Q83-E87 WeakPolarHBondContact O-CG 3.46Å; Q83-E87 PolarHBondContact O-N 3.17Å; Q83-V113 HydrophobicContact CG-CG1 3.76Å; Q83-E116 PolarHBondContact NE2-OE2 2.76Å; Q83-L141 HydrophobicContact CG-CD1 4.38Å
84	Y	95.5	Very high	89.9	Confident	5 Å²	5	30.4 Å²	30.4	2%	0.02	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-41.2	178.7	-64.2	-15.5	0	0	0	112.1	I50 R54 Q80 I81 A88	I50-Y84 HydrophobicContact CG1-CE2 4.26Å; R54-Y84 HydrophobicContact CB-CD2 4.35Å; R54-Y84 HydrophobicContact CB-CE2 3.82Å; R54-Y84 VanDerWaalsContact CD-CE1 3.47Å; R54-Y84 HydrophobicContact CG-CD1 3.96Å; R54-Y84 HydrophobicContact CG-CD2 3.87Å; R54-Y84 HydrophobicContact CG-CE1 3.81Å; R54-Y84 HydrophobicContact CG-CE2 3.71Å; R54-Y84 HydrophobicContact CG-CG 3.99Å; Q80-Y84 HydrophobicContact CB-CD2 4.34Å; Q80-Y84 HydrophobicContact CB-CE1 4.08Å; Q80-Y84 HydrophobicContact CB-CE2 3.77Å; Q80-Y84 WeakPolarHBondContact O-CD1 3.44Å; Q80-Y84 PolarHBondContact O-N 3.47Å; I81-Y84 PolarHBondContact O-N 3.27Å; Y84-A88 WeakPolarHBondContact O-CB 3.29Å; Y84-A88 PolarHBondContact O-N 3.26Å
85	L	95.4	Very high	90.9	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-58.3	-50.8	174.6	-68.5	165.8	0	0	0	110.8	L61 I81 A88 G89 I90 I96 V164 V166 I202	L61-L85 HydrophobicContact CB-CD2 4.38Å; L61-L85 HydrophobicContact CD1-CD2 3.99Å; I81-L85 HydrophobicContact CG2-CD1 3.87Å; I81-L85 HydrophobicContact CG2-CG 4.28Å; I81-L85 VanDerWaalsContact O-CG 3.28Å; I81-L85 WeakPolarHBondContact O-CG 3.38Å; I81-L85 PolarHBondContact O-N 2.96Å; L85-A88 PolarHBondContact O-N 3.37Å; L85-G89 PolarHBondContact O-N 2.65Å; L85-I90 HydrophobicContact CB-CB 4.38Å; L85-I90 HydrophobicContact CD2-CB 4.03Å; L85-I90 HydrophobicContact CD2-CD1 3.94Å; L85-I90 HydrophobicContact CD2-CG2 3.79Å; L85-I90 WeakPolarHBondContact O-CB 3.43Å; L85-I90 PolarHBondContact O-N 2.75Å; L85-I96 HydrophobicContact CB-CD1 3.75Å; L85-V164 HydrophobicContact CD1-CG1 4.13Å; L85-V166 HydrophobicContact CD1-CG2 4.19Å; L85-I202 HydrophobicContact CD1-CD1 3.66Å; L85-I202 HydrophobicContact CD2-CD1 3.95Å; L85-I202 HydrophobicContact CG-CD1 4.4Å
86	F	94.6	Very high	91.7	Very high	53 Å²	53	29.6 Å²	29.6	23%	0.232	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-48.7	179.8	179.1	-102.6	0	0	0	112.8	P82 Q83 A88 G89 I96 L124 K140 L141	P82-F86 PolarHBondContact O-N 3.17Å; P82-F86 VanDerWaalsContact O-N 3.12Å; Q83-F86 PolarHBondContact O-N 2.99Å; F86-A88 PolarHBondContact O-N 3.1Å; F86-G89 PolarHBondContact O-N 3.12Å; F86-I96 HydrophobicContact CB-CD1 4.16Å; F86-L124 HydrophobicContact CE1-CD1 3.88Å; F86-L124 HydrophobicContact CE1-CD2 4.24Å; F86-L124 HydrophobicContact CE2-CD1 4.04Å; F86-L124 HydrophobicContact CZ-CD1 3.49Å; F86-L124 VanDerWaalsContact CZ-CD1 3.49Å; F86-K140 HydrophobicContact CD2-CB 3.97Å; F86-K140 HydrophobicContact CE2-CB 3.56Å; F86-K140 HydrophobicContact CE2-CG 3.79Å; F86-K140 HydrophobicContact CZ-CB 4.39Å; F86-K140 HydrophobicContact CZ-CG 4.42Å; F86-L141 HydrophobicContact CB-CD2 3.96Å; F86-L141 HydrophobicContact CB-CG 4.47Å; F86-L141 HydrophobicContact CG-CD2 4.47Å
87	E	94.2	Very high	92.2	Very high	63 Å²	63	29.2 Å²	29.2	29%	0.294	15%	0.153	S	C	.	.	H	α-helix	trans	-61.8	-42.7	178.9	-72.7	165.8	178.9	0	0	112	R54 Q83 G89 K117	R54-E87 IonicContact CZ-OE2 3.67Å; R54-E87 IonicContact NE-OE2 2.95Å; R54-E87 IonicContact NH2-OE2 3.41Å; R54-E87 PolarHBondContact NH2-OE2 2.99Å; Q83-E87 WeakPolarHBondContact O-CB 3.46Å; Q83-E87 WeakPolarHBondContact O-CG 3.46Å; Q83-E87 PolarHBondContact O-N 3.17Å; E87-G89 PolarHBondContact O-N 3.16Å; E87-K117 VanDerWaalsContact CD-NZ 3.3Å; E87-K117 VanDerWaalsContact CG-NZ 3.33Å; E87-K117 IonicContact OE1-NZ 3.86Å; E87-K117 PolarHBondContact OE1-NZ 2.72Å
88	A	93.9	Very high	92.6	Very high	28 Å²	28	29 Å²	29	23%	0.231	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-2.3	-179.8	0	0	0	0	0	114	V58 Y84 L85 F86 I90	V58-A88 HydrophobicContact CG1-CB 3.42Å; V58-A88 VanDerWaalsContact CG1-CB 3.42Å; V58-A88 HydrophobicContact CG2-CB 4.3Å; Y84-A88 WeakPolarHBondContact O-CB 3.29Å; Y84-A88 PolarHBondContact O-N 3.26Å; L85-A88 PolarHBondContact O-N 3.37Å; F86-A88 PolarHBondContact O-N 3.1Å; A88-I90 VanDerWaalsContact C-N 3.3Å; A88-I90 HydrophobicContact CB-CD1 3.97Å; A88-I90 HydrophobicContact CB-CG1 3.98Å
89	G	92.1	Very high	92.9	Very high	28 Å²	28	28.2 Å²	28.2	29%	0.289	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	9.5	-179.4	0	0	0	0	0	114.7	L85 F86 E87 G91	L85-G89 PolarHBondContact O-N 2.65Å; F86-G89 PolarHBondContact O-N 3.12Å; E87-G89 PolarHBondContact O-N 3.16Å; G89-G91 PolarHBondContact O-N 3.28Å
90	I	89.1	Confident	93	Very high	11 Å²	11	27.4 Å²	27.4	6%	0.056	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	111.1	-177.9	-56.4	173.7	0	0	0	108	V58 R62 L85 A88	V58-I90 HydrophobicContact CG1-CD1 4.28Å; R62-I90 HydrophobicContact CG-CD1 3.64Å; R62-I90 HydrophobicContact CG-CG1 3.91Å; L85-I90 HydrophobicContact CB-CB 4.38Å; L85-I90 HydrophobicContact CD2-CB 4.03Å; L85-I90 HydrophobicContact CD2-CD1 3.94Å; L85-I90 HydrophobicContact CD2-CG2 3.79Å; L85-I90 WeakPolarHBondContact O-CB 3.43Å; L85-I90 PolarHBondContact O-N 2.75Å; A88-I90 VanDerWaalsContact C-N 3.3Å; A88-I90 HydrophobicContact CB-CD1 3.97Å; A88-I90 HydrophobicContact CB-CG1 3.98Å
91	G	77.6	Confident	92.8	Very high	15 Å²	15	28.7 Å²	28.7	16%	0.155	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	14.5	179.9	0	0	0	0	0	115.7	G89 Q93 G94 T163	G89-G91 PolarHBondContact O-N 3.28Å; G91-Q93 PolarHBondContact O-N 3Å; G91-G94 PolarHBondContact O-N 2.99Å; G91-G94 VanDerWaalsContact O-N 3.08Å; G91-G94 VanDerWaalsContact O-O 3.09Å; G91-T163 VanDerWaalsContact C-OG1 3.32Å; G91-T163 WeakPolarHBondContact CA-OG1 3.32Å; G91-T163 PolarHBondContact O-OG1 2.96Å
92	R	82.2	Confident	92.4	Very high	173 Å²	173	31.7 Å²	31.7	65%	0.653	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.7	179.1	-84.2	-177.2	-177.9	-178	7.4	115.5	G94	R92-G94 PolarHBondContact O-N 3.41Å
93	Q	85.7	Confident	91.8	Very high	149 Å²	149	35.7 Å²	35.7	70%	0.696	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.7	179.4	-64.9	165.6	-11.2	0	0	113.3	G91 T163 I197	G91-Q93 PolarHBondContact O-N 3Å; Q93-T163 HydrophobicContact CB-CG2 4Å; Q93-I197 HydrophobicContact CB-CD1 4.29Å
94	G	91.3	Very high	91	Very high	16 Å²	16	40.1 Å²	40.1	17%	0.165	20%	0.203	C	C	.	.	S	Bend	trans	-160.9	-157.2	178.2	0	0	0	0	0	112	G91 R92	G91-G94 PolarHBondContact O-N 2.99Å; G91-G94 VanDerWaalsContact O-N 3.08Å; G91-G94 VanDerWaalsContact O-O 3.09Å; R92-G94 PolarHBondContact O-N 3.41Å
95	L	95.6	Very high	90.5	Very high	24 Å²	24	40.3 Å²	40.3	13%	0.126	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	152.4	179.1	-58.9	177.2	0	0	0	111.4	T139 K140 R161 Y162 T163	L95-T139 WeakPolarHBondContact CD2-O 3.43Å; L95-K140 HydrophobicContact CD2-CD 4.4Å; L95-R161 PolarHBondContact N-O 3.34Å; L95-Y162 HydrophobicContact CB-CD1 3.48Å; L95-Y162 VanDerWaalsContact CB-CD1 3.48Å; L95-Y162 HydrophobicContact CB-CE1 3.66Å; L95-Y162 HydrophobicContact CB-CG 4.47Å; L95-Y162 HydrophobicContact CD1-CD1 4.41Å; L95-Y162 HydrophobicContact CD1-CE1 3.86Å; L95-Y162 HydrophobicContact CG-CE1 4.41Å; L95-Y162 WeakPolarHBondContact O-CA 3.43Å; L95-T163 PolarHBondContact O-N 3.08Å
96	I	97.7	Very high	90.1	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.1	163.6	-56.7	-179.6	0	0	0	106.8	L85 F86 I98 K140 L141 K142 V164 V166	L85-I96 HydrophobicContact CB-CD1 3.75Å; F86-I96 HydrophobicContact CB-CD1 4.16Å; I96-I98 HydrophobicContact CG2-CD1 3.99Å; I96-I98 HydrophobicContact CG2-CG1 4.42Å; I96-I98 WeakPolarHBondContact O-CD1 3.41Å; I96-K140 PolarHBondContact N-O 2.85Å; I96-L141 HydrophobicContact CB-CD2 3.92Å; I96-L141 HydrophobicContact CD1-CD2 3.89Å; I96-L141 HydrophobicContact CG1-CD2 4.32Å; I96-L141 HydrophobicContact CG2-CD2 4.32Å; I96-K142 PolarHBondContact O-N 2.97Å; I96-V164 WeakPolarHBondContact CA-O 3.39Å; I96-V164 HydrophobicContact CG1-CB 4.19Å; I96-V164 HydrophobicContact CG1-CG2 4.35Å; I96-V164 HydrophobicContact CG2-CB 4.17Å; I96-V164 HydrophobicContact CG2-CG1 4.41Å; I96-V166 HydrophobicContact CG2-CG2 4.3Å
97	A	98.1	Very high	89.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	133.4	171	0	0	0	0	0	109.6	K142 M144 L149 Y162 V164 V165 V166	A97-K142 WeakPolarHBondContact CA-O 3.39Å; A97-M144 HydrophobicContact CB-SD 4.18Å; A97-L149 HydrophobicContact CB-CD2 4.31Å; A97-Y162 HydrophobicContact CB-CD1 3.55Å; A97-Y162 HydrophobicContact CB-CE1 3.68Å; A97-Y162 HydrophobicContact CB-CG 4.22Å; A97-V164 PolarHBondContact N-O 3.2Å; A97-V165 HydrophobicContact CB-CG2 4.16Å; A97-V166 PolarHBondContact O-N 3.23Å
98	I	98.2	Very high	89.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	106.4	172.1	-52.1	82.6	0	0	0	106.5	P82 I96 K142 F143 M144 V166	P82-I98 HydrophobicContact CB-CD1 3.95Å; P82-I98 HydrophobicContact CB-CG1 3.78Å; P82-I98 HydrophobicContact CG-CD1 4.25Å; P82-I98 HydrophobicContact CG-CG1 3.52Å; P82-I98 HydrophobicContact CG-CG2 4.42Å; I96-I98 HydrophobicContact CG2-CD1 3.99Å; I96-I98 HydrophobicContact CG2-CG1 4.42Å; I96-I98 WeakPolarHBondContact O-CD1 3.41Å; I98-K142 PolarHBondContact N-O 2.98Å; I98-F143 HydrophobicContact CB-CD1 3.8Å; I98-F143 HydrophobicContact CB-CE1 3.92Å; I98-F143 HydrophobicContact CB-CG 4.29Å; I98-F143 HydrophobicContact CB-CZ 4.49Å; I98-F143 HydrophobicContact CD1-CD2 4.36Å; I98-F143 HydrophobicContact CD1-CE2 4.21Å; I98-F143 HydrophobicContact CD1-CZ 4.3Å; I98-F143 HydrophobicContact CG1-CD1 4.42Å; I98-F143 HydrophobicContact CG1-CE1 4.16Å; I98-F143 HydrophobicContact CG1-CZ 4.25Å; I98-F143 HydrophobicContact CG2-CD1 3.83Å; I98-F143 HydrophobicContact CG2-CE1 3.73Å; I98-F143 CarbonylContact O-C 3.55Å; I98-F143 WeakPolarHBondContact O-CA 3.46Å; I98-M144 PolarHBondContact O-N 3.45Å; I98-V166 HydrophobicContact CG1-CB 4.42Å; I98-V166 HydrophobicContact CG2-CB 4.38Å; I98-V166 HydrophobicContact CG2-CG1 4.43Å
99	T	97.7	Very high	89	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	147.3	179.6	80.5	0	0	0	0	110.9	M144 D146 L149 V166 L167 D168 L180	T99-M144 CarbonylContact C-O 3.14Å; T99-M144 VanDerWaalsContact CA-O 3.24Å; T99-M144 WeakPolarHBondContact CA-O 3.29Å; T99-M144 HydrophobicContact CG2-CG 4.24Å; T99-D146 WeakPolarHBondContact CB-OD1 3.38Å; T99-D146 PolarHBondContact OG1-OD1 3.36Å; T99-L149 HydrophobicContact CG2-CB 4.11Å; T99-L149 HydrophobicContact CG2-CD2 3.53Å; T99-L149 HydrophobicContact CG2-CG 4.46Å; T99-V166 PolarHBondContact N-O 2.96Å; T99-L167 HydrophobicContact CG2-CD2 4.45Å; T99-D168 VanDerWaalsContact O-CB 3.27Å; T99-D168 WeakPolarHBondContact O-CB 3.39Å; T99-D168 PolarHBondContact O-N 2.91Å; T99-L180 HydrophobicContact CG2-CD2 3.92Å
100	Q	94.7	Very high	89.1	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139	176.8	-68.9	-69.1	-36	0	0	108.3	R102 A105 A106 L109 M144 T145 D146 D168	Q100-R102 PolarHBondContact O-N 3.37Å; Q100-A105 HydrophobicContact CB-CB 4.41Å; Q100-A105 HydrophobicContact CG-CB 4.45Å; Q100-A106 HydrophobicContact CB-CB 4.12Å; Q100-A106 HydrophobicContact CG-CB 4.32Å; Q100-L109 HydrophobicContact CG-CD1 4.06Å; Q100-M144 PolarHBondContact N-O 3.24Å; Q100-T145 VanDerWaalsContact O-CA 3.23Å; Q100-T145 WeakPolarHBondContact O-CA 3.4Å; Q100-D146 PolarHBondContact N-OD1 2.53Å; Q100-D146 PolarHBondContact O-N 3.42Å; Q100-D168 VanDerWaalsContact NE2-CB 3.33Å; Q100-D168 PolarHBondContact NE2-OD2 2.82Å
101	P	90.3	Very high	89	Confident	27 Å²	27	40 Å²	40	18%	0.175	21%	0.207	C	C	.	.	S	Bend	trans	-66.2	-26.8	175.7	24.4	-32.4	0	0	0	111.9	E169 E172 T174	P101-E169 HydrophobicContact CG-CB 3.84Å; P101-E172 HydrophobicContact CB-CB 4.41Å; P101-E172 HydrophobicContact CG-CB 4.17Å; P101-E172 HydrophobicContact CG-CG 4.17Å; P101-T174 HydrophobicContact CB-CG2 3.61Å
102	R	85.8	Confident	89.5	Confident	64 Å²	64	43 Å²	43	24%	0.242	21%	0.214	C	C	.	.	S	Bend	trans	-112.6	132.8	-173.1	-59.2	-176.3	-168.9	-138.7	-2.3	113.1	Q100 V104 A105 A106 E172 S334	Q100-R102 PolarHBondContact O-N 3.37Å; R102-V104 PolarHBondContact O-N 3.17Å; R102-A105 HydrophobicContact CB-CB 4.11Å; R102-A105 WeakPolarHBondContact O-CB 3.09Å; R102-A105 PolarHBondContact O-N 3.13Å; R102-A106 PolarHBondContact O-N 3.3Å; R102-A106 VanDerWaalsContact O-N 3.1Å; R102-E172 IonicContact CZ-OE1 2.83Å; R102-E172 IonicContact CZ-OE2 3.78Å; R102-E172 IonicContact NE-OE1 3.82Å; R102-E172 PolarHBondContact NE-OE1 2.95Å; R102-E172 IonicContact NE-OE2 3.86Å; R102-E172 PolarHBondContact NE-OE2 2.96Å; R102-E172 IonicContact NH2-OE1 3.02Å; R102-E172 IonicContact NH2-OE2 3.37Å; R102-E172 PolarHBondContact NH2-OE2 3.44Å; R102-S334 WeakPolarHBondContact CD-OG 3.35Å; R102-S334 PolarHBondContact NE-OG 3.39Å
103	R	83.3	Confident	90	Very high	85 Å²	85	34.7 Å²	34.7	32%	0.321	18%	0.183	S	C	.	.	H	α-helix	trans	-54.6	-49	175.6	177.3	173.7	175.5	-159.6	2.9	112.9	A105 A106 I107 V129 E132 T145	R103-A105 VanDerWaalsContact C-N 3.27Å; R103-A105 PolarHBondContact O-N 2.88Å; R103-A106 PolarHBondContact O-N 3.12Å; R103-I107 HydrophobicContact CG-CD1 3.82Å; R103-I107 WeakPolarHBondContact O-CG1 3.12Å; R103-I107 PolarHBondContact O-N 2.8Å; R103-I107 VanDerWaalsContact O-N 3.11Å; R103-V129 HydrophobicContact CG-CB 3.93Å; R103-V129 HydrophobicContact CG-CG1 4.06Å; R103-V129 HydrophobicContact CG-CG2 3.83Å; R103-E132 IonicContact CZ-OE2 2.85Å; R103-E132 IonicContact NE-OE2 2.83Å; R103-E132 IonicContact NH2-OE2 3.66Å; R103-E132 PolarHBondContact NH2-OE2 2.99Å; R103-T145 HydrophobicContact CB-CG2 4.26Å
104	V	78.7	Confident	90.4	Very high	93 Å²	93	28.1 Å²	28.1	56%	0.564	15%	0.153	S	C	*	.	H	α-helix	trans	-62.8	-36.8	-178	178.8	0	0	0	0	111.4	R102 S108	R102-V104 PolarHBondContact O-N 3.17Å; V104-S108 VanDerWaalsContact O-CB 3.31Å; V104-S108 WeakPolarHBondContact O-CB 3.47Å; V104-S108 PolarHBondContact O-N 2.78Å; V104-S108 PolarHBondContact O-OG 2.96Å
105	A	84	Confident	90.4	Very high	8 Å²	8	32.7 Å²	32.7	7%	0.066	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-51.6	176.1	0	0	0	0	0	110.4	Q100 R102 R103 I107 S108 L109	Q100-A105 HydrophobicContact CB-CB 4.41Å; Q100-A105 HydrophobicContact CG-CB 4.45Å; R102-A105 HydrophobicContact CB-CB 4.11Å; R102-A105 WeakPolarHBondContact O-CB 3.09Å; R102-A105 PolarHBondContact O-N 3.13Å; R103-A105 VanDerWaalsContact C-N 3.27Å; R103-A105 PolarHBondContact O-N 2.88Å; A105-I107 VanDerWaalsContact C-N 3.32Å; A105-I107 PolarHBondContact O-N 2.91Å; A105-S108 PolarHBondContact O-N 2.89Å; A105-S108 PolarHBondContact O-OG 3.32Å; A105-L109 HydrophobicContact CB-CD1 4.12Å; A105-L109 WeakPolarHBondContact O-CB 3.38Å; A105-L109 VanDerWaalsContact O-CD1 3.29Å; A105-L109 WeakPolarHBondContact O-CD1 3.44Å; A105-L109 WeakPolarHBondContact O-CG 3.42Å; A105-L109 PolarHBondContact O-N 3.21Å
106	A	88.4	Confident	90.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-53.6	-46.8	178.6	0	0	0	0	0	112.7	Q100 R102 R103 A110 V129	Q100-A106 HydrophobicContact CB-CB 4.12Å; Q100-A106 HydrophobicContact CG-CB 4.32Å; R102-A106 PolarHBondContact O-N 3.3Å; R102-A106 VanDerWaalsContact O-N 3.1Å; R103-A106 PolarHBondContact O-N 3.12Å; A106-A110 VanDerWaalsContact O-CB 3.29Å; A106-A110 WeakPolarHBondContact O-CB 3.24Å; A106-A110 PolarHBondContact O-N 3.46Å; A106-A110 VanDerWaalsContact O-N 3.09Å; A106-V129 HydrophobicContact CB-CG1 3.9Å
107	I	85.4	Confident	89.9	Confident	45 Å²	45	33.9 Å²	33.9	23%	0.231	17%	0.174	C	C	.	.	H	α-helix	trans	-65.9	-52.4	-180	-61.5	172	0	0	0	111.2	R103 A105 L109 A110 A111 Y127 V129	R103-I107 HydrophobicContact CG-CD1 3.82Å; R103-I107 WeakPolarHBondContact O-CG1 3.12Å; R103-I107 PolarHBondContact O-N 2.8Å; R103-I107 VanDerWaalsContact O-N 3.11Å; A105-I107 VanDerWaalsContact C-N 3.32Å; A105-I107 PolarHBondContact O-N 2.91Å; I107-L109 PolarHBondContact O-N 3.39Å; I107-A110 PolarHBondContact O-N 3.19Å; I107-A111 WeakPolarHBondContact O-CB 3.34Å; I107-A111 PolarHBondContact O-N 2.79Å; I107-Y127 HydrophobicContact CD1-CE2 4.19Å; I107-Y127 HydrophobicContact CG1-CD2 3.84Å; I107-Y127 HydrophobicContact CG1-CE1 4.49Å; I107-Y127 HydrophobicContact CG1-CE2 3.62Å; I107-Y127 HydrophobicContact CG1-CG 4.36Å; I107-Y127 HydrophobicContact CG2-CE1 4.06Å; I107-V129 HydrophobicContact CD1-CG2 4.28Å; I107-V129 HydrophobicContact CG1-CG1 4.3Å; I107-V129 HydrophobicContact CG1-CG2 4.49Å
108	S	82.6	Confident	89.7	Confident	63 Å²	63	43.2 Å²	43.2	44%	0.441	21%	0.209	S	C	.	.	H	α-helix	trans	-68	-36.1	-174.5	59.6	0	0	0	0	112.6	V104 A105 R112	V104-S108 VanDerWaalsContact O-CB 3.31Å; V104-S108 WeakPolarHBondContact O-CB 3.47Å; V104-S108 PolarHBondContact O-N 2.78Å; V104-S108 PolarHBondContact O-OG 2.96Å; A105-S108 PolarHBondContact O-N 2.89Å; A105-S108 PolarHBondContact O-OG 3.32Å; S108-R112 WeakPolarHBondContact O-CB 3.44Å; S108-R112 PolarHBondContact O-N 2.95Å
109	L	90.8	Very high	89.5	Confident	32 Å²	32	44.7 Å²	44.7	17%	0.168	22%	0.218	C	C	.	.	H	α-helix	trans	-68.8	-42.1	175.3	-68.8	163.6	0	0	0	111.6	T78 T79 Q100 A105 I107 R112 V113 F143	T78-L109 HydrophobicContact CG2-CD1 3.32Å; T78-L109 HydrophobicContact CG2-CD2 3.77Å; T78-L109 HydrophobicContact CG2-CG 4.07Å; T79-L109 HydrophobicContact CG2-CD2 3.86Å; Q100-L109 HydrophobicContact CG-CD1 4.06Å; A105-L109 HydrophobicContact CB-CD1 4.12Å; A105-L109 WeakPolarHBondContact O-CB 3.38Å; A105-L109 VanDerWaalsContact O-CD1 3.29Å; A105-L109 WeakPolarHBondContact O-CD1 3.44Å; A105-L109 WeakPolarHBondContact O-CG 3.42Å; A105-L109 PolarHBondContact O-N 3.21Å; I107-L109 PolarHBondContact O-N 3.39Å; L109-R112 PolarHBondContact O-N 3.42Å; L109-V113 WeakPolarHBondContact O-CB 3.38Å; L109-V113 VanDerWaalsContact O-CG2 3.3Å; L109-V113 WeakPolarHBondContact O-CG2 3.28Å; L109-V113 PolarHBondContact O-N 3.26Å; L109-F143 HydrophobicContact CB-CD1 4.03Å; L109-F143 HydrophobicContact CB-CE1 3.96Å
110	A	93.5	Very high	89.4	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-45.7	174.3	0	0	0	0	0	111.6	A106 I107 R112 V113 S114 L121 V125 Y127 F143	A106-A110 VanDerWaalsContact O-CB 3.29Å; A106-A110 WeakPolarHBondContact O-CB 3.24Å; A106-A110 PolarHBondContact O-N 3.46Å; A106-A110 VanDerWaalsContact O-N 3.09Å; I107-A110 PolarHBondContact O-N 3.19Å; A110-R112 PolarHBondContact O-N 3.03Å; A110-V113 PolarHBondContact O-N 2.9Å; A110-S114 WeakPolarHBondContact O-CB 3.43Å; A110-S114 PolarHBondContact O-N 2.94Å; A110-S114 PolarHBondContact O-OG 3.47Å; A110-L121 HydrophobicContact CB-CD1 3.89Å; A110-V125 HydrophobicContact CB-CG1 4.39Å; A110-V125 WeakPolarHBondContact O-CG1 3.22Å; A110-Y127 HydrophobicContact CB-CD1 3.94Å; A110-Y127 HydrophobicContact CB-CG 4.34Å; A110-F143 HydrophobicContact CB-CB 3.92Å; A110-F143 HydrophobicContact CB-CD2 3.77Å; A110-F143 HydrophobicContact CB-CG 3.96Å
111	A	87.4	Confident	89.4	Confident	38 Å²	38	53.2 Å²	53.2	31%	0.314	26%	0.26	S	S	.	.	H	α-helix	trans	-59.3	-47.9	176	0	0	0	0	0	111.2	I107 V113 S114 E115 L121	I107-A111 WeakPolarHBondContact O-CB 3.34Å; I107-A111 PolarHBondContact O-N 2.79Å; A111-V113 PolarHBondContact O-N 2.88Å; A111-S114 PolarHBondContact O-N 3.36Å; A111-S114 PolarHBondContact O-OG 2.83Å; A111-E115 PolarHBondContact O-N 3.15Å; A111-L121 HydrophobicContact CB-CD2 4.12Å
112	R	87.9	Confident	89.7	Confident	78 Å²	78	52.4 Å²	52.4	29%	0.294	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-46.8	177	177.5	56	177.2	-160.1	-10.6	112.4	T79 S108 L109 A110 S114 E115 E116	T79-R112 HydrophobicContact CG2-CG 4.47Å; S108-R112 WeakPolarHBondContact O-CB 3.44Å; S108-R112 PolarHBondContact O-N 2.95Å; L109-R112 PolarHBondContact O-N 3.42Å; A110-R112 PolarHBondContact O-N 3.03Å; R112-S114 VanDerWaalsContact C-N 3.29Å; R112-S114 PolarHBondContact O-N 2.87Å; R112-E115 IonicContact NH1-OE2 2.84Å; R112-E115 PolarHBondContact NH1-OE2 2.97Å; R112-E115 VanDerWaalsContact NH1-OE2 3.1Å; R112-E115 WeakPolarHBondContact O-CB 3.43Å; R112-E115 PolarHBondContact O-N 2.9Å; R112-E116 IonicContact CZ-OE1 2.64Å; R112-E116 IonicContact NE-OE1 3.19Å; R112-E116 PolarHBondContact NE-OE1 3.36Å; R112-E116 IonicContact NH2-OE1 2.78Å; R112-E116 WeakPolarHBondContact O-CG 3.27Å; R112-E116 PolarHBondContact O-N 2.79Å
113	V	93.8	Very high	90.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.2	-31.5	-179.8	173.6	0	0	0	0	111.2	T79 Q83 L109 A110 A111 E116 K117 V125 L141 F143	T79-V113 HydrophobicContact CG2-CG2 4.3Å; Q83-V113 HydrophobicContact CG-CG1 3.76Å; L109-V113 WeakPolarHBondContact O-CB 3.38Å; L109-V113 VanDerWaalsContact O-CG2 3.3Å; L109-V113 WeakPolarHBondContact O-CG2 3.28Å; L109-V113 PolarHBondContact O-N 3.26Å; A110-V113 PolarHBondContact O-N 2.9Å; A111-V113 PolarHBondContact O-N 2.88Å; V113-E116 PolarHBondContact O-N 2.78Å; V113-K117 HydrophobicContact CG1-CG 4.44Å; V113-K117 WeakPolarHBondContact O-CB 3.24Å; V113-K117 WeakPolarHBondContact O-CG 3.35Å; V113-K117 PolarHBondContact O-N 3.27Å; V113-V125 HydrophobicContact CB-CG1 4.24Å; V113-V125 HydrophobicContact CG1-CG1 4.13Å; V113-V125 HydrophobicContact CG1-CG2 3.98Å; V113-L141 HydrophobicContact CG1-CD1 4.31Å; V113-F143 HydrophobicContact CB-CE2 4.15Å; V113-F143 HydrophobicContact CB-CZ 4.25Å; V113-F143 HydrophobicContact CG1-CE2 4.26Å; V113-F143 HydrophobicContact CG1-CZ 4.48Å; V113-F143 HydrophobicContact CG2-CE2 4.29Å; V113-F143 HydrophobicContact CG2-CZ 3.87Å
114	S	94.1	Very high	90.8	Very high	11 Å²	11	51.4 Å²	51.4	8%	0.077	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-41.1	172.3	76.4	0	0	0	0	112.2	A110 A111 R112 K117 R118 T119	A110-S114 WeakPolarHBondContact O-CB 3.43Å; A110-S114 PolarHBondContact O-N 2.94Å; A110-S114 PolarHBondContact O-OG 3.47Å; A111-S114 PolarHBondContact O-N 3.36Å; A111-S114 PolarHBondContact O-OG 2.83Å; R112-S114 VanDerWaalsContact C-N 3.29Å; R112-S114 PolarHBondContact O-N 2.87Å; S114-K117 CarbonylContact O-C 3.59Å; S114-K117 PolarHBondContact O-N 2.94Å; S114-R118 PolarHBondContact O-N 3.37Å; S114-T119 CarbonylContact C-O 3.53Å; S114-T119 PolarHBondContact O-N 3.08Å
115	E	90.8	Very high	91.7	Very high	112 Å²	112	47 Å²	47	52%	0.523	23%	0.231	S	C	.	.	H	α-helix	trans	-62.4	-47.9	173.6	-173	-170.5	-159.4	0	0	111.1	I41 A111 R112 K117 R118	I41-E115 HydrophobicContact CD1-CB 4.24Å; I41-E115 HydrophobicContact CD1-CG 3.7Å; I41-E115 WeakPolarHBondContact CD1-OE2 3.35Å; A111-E115 PolarHBondContact O-N 3.15Å; R112-E115 IonicContact NH1-OE2 2.84Å; R112-E115 PolarHBondContact NH1-OE2 2.97Å; R112-E115 VanDerWaalsContact NH1-OE2 3.1Å; R112-E115 WeakPolarHBondContact O-CB 3.43Å; R112-E115 PolarHBondContact O-N 2.9Å; E115-K117 PolarHBondContact O-N 3.29Å; E115-R118 PolarHBondContact O-N 2.74Å
116	E	91.3	Very high	92.4	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-31	177.9	-71	-176.1	-168.8	0	0	113.3	I41 R45 Q80 Q83 R112 V113	I41-E116 HydrophobicContact CD1-CB 4.36Å; I41-E116 HydrophobicContact CD1-CG 3.5Å; I41-E116 HydrophobicContact CG1-CG 3.88Å; R45-E116 WeakPolarHBondContact CD-OE2 3.41Å; R45-E116 HydrophobicContact CG-CG 4.33Å; R45-E116 IonicContact CZ-OE2 2.63Å; R45-E116 IonicContact NE-OE2 3.83Å; R45-E116 PolarHBondContact NE-OE2 3.41Å; R45-E116 PolarHBondContact NH1-O 2.91Å; Q80-E116 PolarHBondContact NE2-OE2 2.66Å; Q83-E116 PolarHBondContact NE2-OE2 2.76Å; R112-E116 IonicContact CZ-OE1 2.64Å; R112-E116 IonicContact NE-OE1 3.19Å; R112-E116 PolarHBondContact NE-OE1 3.36Å; R112-E116 IonicContact NH2-OE1 2.78Å; R112-E116 WeakPolarHBondContact O-CG 3.27Å; R112-E116 PolarHBondContact O-N 2.79Å; V113-E116 PolarHBondContact O-N 2.78Å
117	K	92.2	Very high	92.8	Very high	43 Å²	43	47.3 Å²	47.3	19%	0.187	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-2.3	175.6	-71.7	-61.7	-162.7	173.6	0	113.8	E87 V113 S114 E115 T119 V125	E87-K117 VanDerWaalsContact CD-NZ 3.3Å; E87-K117 VanDerWaalsContact CG-NZ 3.33Å; E87-K117 IonicContact OE1-NZ 3.86Å; E87-K117 PolarHBondContact OE1-NZ 2.72Å; V113-K117 HydrophobicContact CG1-CG 4.44Å; V113-K117 WeakPolarHBondContact O-CB 3.24Å; V113-K117 WeakPolarHBondContact O-CG 3.35Å; V113-K117 PolarHBondContact O-N 3.27Å; S114-K117 CarbonylContact O-C 3.59Å; S114-K117 PolarHBondContact O-N 2.94Å; E115-K117 PolarHBondContact O-N 3.29Å; K117-T119 HydrophobicContact CB-CG2 3.95Å; K117-T119 PolarHBondContact O-N 3.34Å; K117-V125 HydrophobicContact CG-CG2 4.4Å
118	R	93.7	Very high	93.2	Very high	196 Å²	196	45.3 Å²	45.3	74%	0.74	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	40.6	-175.9	-52.3	-179.2	-173.9	-174.9	1	112.1	D42 S114 E115	D42-R118 IonicContact OD2-CZ 2.58Å; D42-R118 IonicContact OD2-NH2 3.51Å; D42-R118 PolarHBondContact OD2-NH2 3.44Å; S114-R118 PolarHBondContact O-N 3.37Å; E115-R118 PolarHBondContact O-N 2.74Å
119	T	94.1	Very high	93.6	Very high	31 Å²	31	42.4 Å²	42.4	19%	0.19	20%	0.2	C	C	.	.			trans	-115.2	151.2	176.4	-177.4	0	0	0	0	109.7	S114 K117 L124 V125	S114-T119 CarbonylContact C-O 3.53Å; S114-T119 PolarHBondContact O-N 3.08Å; K117-T119 HydrophobicContact CB-CG2 3.95Å; K117-T119 PolarHBondContact O-N 3.34Å; T119-L124 HydrophobicContact CG2-CB 4.14Å; T119-V125 HydrophobicContact CG2-CB 4.23Å; T119-V125 HydrophobicContact CG2-CG2 3.93Å
120	Q	95.6	Very high	93.4	Very high	132 Å²	132	45.5 Å²	45.5	62%	0.617	21%	0.21	S	C	*	.			trans	-65.5	135.4	166.7	-170.5	178	2.6	0	0	109.6	G122 K123	Q120-G122 PolarHBondContact O-N 3.03Å; Q120-K123 HydrophobicContact CB-CD 4.09Å; Q120-K123 HydrophobicContact CB-CG 4.22Å; Q120-K123 WeakPolarHBondContact O-CB 3.47Å; Q120-K123 PolarHBondContact O-N 3.44Å; Q120-K123 VanDerWaalsContact O-N 3.13Å; Q120-K123 VanDerWaalsContact OE1-CE 3.29Å
121	L	94.4	Very high	92.9	Very high	52 Å²	52	46.5 Å²	46.5	27%	0.272	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-59.4	134.4	171.9	-173.1	60.5	0	0	0	110	A110 A111 Y127 V134	A110-L121 HydrophobicContact CB-CD1 3.89Å; A111-L121 HydrophobicContact CB-CD2 4.12Å; L121-Y127 HydrophobicContact CD1-CD1 4.21Å; L121-Y127 HydrophobicContact CD2-CD1 4.24Å; L121-Y127 HydrophobicContact CD2-CE1 3.81Å; L121-Y127 HydrophobicContact CG-CD1 4.42Å; L121-Y127 HydrophobicContact CG-CE1 4.31Å; L121-V134 HydrophobicContact CG-CG1 4.3Å
122	G	95.1	Very high	92.7	Very high	10 Å²	10	47.2 Å²	47.2	10%	0.103	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	94	-14.3	-172.7	0	0	0	0	0	114.4	Q120 V125 V134 T135 S136 T139	Q120-G122 PolarHBondContact O-N 3.03Å; G122-V125 PolarHBondContact N-O 2.86Å; G122-V134 WeakPolarHBondContact CA-O 3.48Å; G122-T135 CarbonylContact O-C 3.56Å; G122-S136 WeakPolarHBondContact O-CB 2.8Å; G122-S136 PolarHBondContact O-N 3.45Å; G122-S136 VanDerWaalsContact O-N 3.12Å; G122-S136 PolarHBondContact O-OG 3.18Å; G122-T139 PolarHBondContact O-OG1 2.94Å
123	K	96.4	Very high	92.9	Very high	87 Å²	87	47.8 Å²	47.8	38%	0.378	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-118.8	169.3	-63.1	-169	177.7	-175.2	0	110	Q120 V125 T139	Q120-K123 HydrophobicContact CB-CD 4.09Å; Q120-K123 HydrophobicContact CB-CG 4.22Å; Q120-K123 WeakPolarHBondContact O-CB 3.47Å; Q120-K123 PolarHBondContact O-N 3.44Å; Q120-K123 VanDerWaalsContact O-N 3.13Å; Q120-K123 VanDerWaalsContact OE1-CE 3.29Å; K123-V125 PolarHBondContact O-N 2.76Å; K123-V125 VanDerWaalsContact O-N 3.16Å; K123-T139 WeakPolarHBondContact O-CA 3.15Å; K123-T139 VanDerWaalsContact O-CB 3.29Å; K123-T139 WeakPolarHBondContact O-CB 3.4Å; K123-T139 PolarHBondContact O-N 3.3Å; K123-T139 PolarHBondContact O-OG1 2.86Å
124	L	96.6	Very high	92.9	Very high	41 Å²	41	50.1 Å²	50.1	22%	0.215	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-39.8	-179.3	173.7	66.3	0	0	0	113.4	F86 T119 K140 L141	F86-L124 HydrophobicContact CE1-CD1 3.88Å; F86-L124 HydrophobicContact CE1-CD2 4.24Å; F86-L124 HydrophobicContact CE2-CD1 4.04Å; F86-L124 HydrophobicContact CZ-CD1 3.49Å; F86-L124 VanDerWaalsContact CZ-CD1 3.49Å; T119-L124 HydrophobicContact CG2-CB 4.14Å; L124-K140 HydrophobicContact CD1-CB 3.88Å; L124-K140 HydrophobicContact CD1-CG 3.95Å; L124-K140 PolarHBondContact O-N 3.37Å; L124-L141 PolarHBondContact O-N 2.76Å; L124-L141 VanDerWaalsContact O-N 3.08Å
125	V	98	Very high	93	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.7	177	-175.6	0	0	0	0	107.9	A110 V113 K117 T119 G122 K123 L141 F143	A110-V125 HydrophobicContact CB-CG1 4.39Å; A110-V125 WeakPolarHBondContact O-CG1 3.22Å; V113-V125 HydrophobicContact CB-CG1 4.24Å; V113-V125 HydrophobicContact CG1-CG1 4.13Å; V113-V125 HydrophobicContact CG1-CG2 3.98Å; K117-V125 HydrophobicContact CG-CG2 4.4Å; T119-V125 HydrophobicContact CG2-CB 4.23Å; T119-V125 HydrophobicContact CG2-CG2 3.93Å; G122-V125 PolarHBondContact N-O 2.86Å; K123-V125 PolarHBondContact O-N 2.76Å; K123-V125 VanDerWaalsContact O-N 3.16Å; V125-L141 WeakPolarHBondContact CA-O 3.4Å; V125-L141 HydrophobicContact CG2-CB 4.26Å; V125-L141 HydrophobicContact CG2-CD1 4.17Å; V125-F143 HydrophobicContact CG1-CD2 4.11Å; V125-F143 HydrophobicContact CG1-CE2 3.98Å
126	G	97.6	Very high	93.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	174.5	178.2	0	0	0	0	0	111.6	V134 L141 F143	G126-V134 CarbonylContact C-O 3.59Å; G126-V134 WeakPolarHBondContact CA-O 3.37Å; G126-L141 PolarHBondContact N-O 2.78Å; G126-F143 PolarHBondContact O-N 3.33Å
127	Y	97.1	Very high	93.5	Very high	15 Å²	15	54.5 Å²	54.5	6%	0.059	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.3	174.3	69.7	-92.1	0	0	0	113.8	I107 A110 L121 V129 E132 V134 F143	I107-Y127 HydrophobicContact CD1-CE2 4.19Å; I107-Y127 HydrophobicContact CG1-CD2 3.84Å; I107-Y127 HydrophobicContact CG1-CE1 4.49Å; I107-Y127 HydrophobicContact CG1-CE2 3.62Å; I107-Y127 HydrophobicContact CG1-CG 4.36Å; I107-Y127 HydrophobicContact CG2-CE1 4.06Å; A110-Y127 HydrophobicContact CB-CD1 3.94Å; A110-Y127 HydrophobicContact CB-CG 4.34Å; L121-Y127 HydrophobicContact CD1-CD1 4.21Å; L121-Y127 HydrophobicContact CD2-CD1 4.24Å; L121-Y127 HydrophobicContact CD2-CE1 3.81Å; L121-Y127 HydrophobicContact CG-CD1 4.42Å; L121-Y127 HydrophobicContact CG-CE1 4.31Å; Y127-V129 HydrophobicContact CD2-CG1 4.2Å; Y127-V129 HydrophobicContact CD2-CG2 4.35Å; Y127-V129 HydrophobicContact CE2-CG2 4.28Å; Y127-E132 HydrophobicContact CE2-CG 3.9Å; Y127-E132 PolarHBondContact OH-OE1 3.47Å; Y127-V134 HydrophobicContact CD1-CB 4.11Å; Y127-V134 HydrophobicContact CE1-CB 3.72Å; Y127-V134 HydrophobicContact CE1-CG1 4.26Å; Y127-V134 HydrophobicContact CE1-CG2 3.81Å; Y127-V134 HydrophobicContact CE2-CB 4.3Å; Y127-V134 HydrophobicContact CE2-CG2 3.93Å; Y127-V134 VanDerWaalsContact CZ-CG2 3.43Å; Y127-V134 PolarHBondContact N-O 3.23Å; Y127-V134 CarbonylContact O-C 3.6Å; Y127-V134 PolarHBondContact O-N 2.95Å; Y127-V134 WeakPolarHBondContact OH-CG2 3.45Å; Y127-F143 CarbonylContact C-O 3.57Å; Y127-F143 WeakPolarHBondContact CA-O 3.17Å; Y127-F143 VanDerWaalsContact CB-O 3.24Å; Y127-F143 WeakPolarHBondContact CB-O 3.43Å
128	T	95.3	Very high	93.6	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	121.7	171.4	-50.7	0	0	0	0	109.9	D133 K142 F143 M144 T145 M148	T128-D133 HydrophobicContact CG2-CB 4.03Å; T128-D133 PolarHBondContact OG1-OD1 3.44Å; T128-K142 WeakPolarHBondContact OG1-CE 3.35Å; T128-K142 PolarHBondContact OG1-NZ 3.13Å; T128-F143 PolarHBondContact N-O 3.01Å; T128-M144 WeakPolarHBondContact O-CA 3.34Å; T128-M144 WeakPolarHBondContact O-CB 3.48Å; T128-T145 PolarHBondContact O-N 2.79Å; T128-M148 HydrophobicContact CG2-CE 3.67Å; T128-M148 HydrophobicContact CG2-CG 4.4Å
129	V	91.1	Very high	93.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	170	175.3	-58.4	0	0	0	0	108.6	R103 A106 I107 Y127 F131 E132 T145	R103-V129 HydrophobicContact CG-CB 3.93Å; R103-V129 HydrophobicContact CG-CG1 4.06Å; R103-V129 HydrophobicContact CG-CG2 3.83Å; A106-V129 HydrophobicContact CB-CG1 3.9Å; I107-V129 HydrophobicContact CD1-CG2 4.28Å; I107-V129 HydrophobicContact CG1-CG1 4.3Å; I107-V129 HydrophobicContact CG1-CG2 4.49Å; Y127-V129 HydrophobicContact CD2-CG1 4.2Å; Y127-V129 HydrophobicContact CD2-CG2 4.35Å; Y127-V129 HydrophobicContact CE2-CG2 4.28Å; V129-F131 PolarHBondContact O-N 2.65Å; V129-F131 VanDerWaalsContact O-N 3.14Å; V129-E132 HydrophobicContact CG2-CB 3.74Å; V129-E132 HydrophobicContact CG2-CG 4.46Å; V129-E132 PolarHBondContact N-O 3.34Å; V129-E132 CarbonylContact O-C 3.58Å; V129-E132 PolarHBondContact O-N 3.45Å; V129-T145 HydrophobicContact CB-CG2 4.24Å; V129-T145 HydrophobicContact CG1-CG2 3.9Å
130	R	86	Confident	93.9	Very high	98 Å²	98	51.2 Å²	51.2	37%	0.37	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	125.4	179.1	-165.1	-174.1	176.9	-171.7	-7.2	109.9	E132 M148 P475	R130-E132 VanDerWaalsContact C-N 3.29Å; R130-E132 PolarHBondContact O-N 3.28Å; R130-M148 HydrophobicContact CB-SD 4.42Å; R130-P475 HydrophobicContact CG-CB 4.35Å; R130-P475 PolarHBondContact NE-O 3.5Å; R130-P475 PolarHBondContact NH2-O 3.49Å
131	F	82.4	Confident	94	Very high	21 Å²	21	45 Å²	45	9%	0.092	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	15.2	-178.3	-47.5	-62.2	0	0	0	117.1	V129 P475 L476 V569 Q572 L573	V129-F131 PolarHBondContact O-N 2.65Å; V129-F131 VanDerWaalsContact O-N 3.14Å; F131-P475 HydrophobicContact CD1-CG 4.46Å; F131-P475 HydrophobicContact CE1-CG 3.6Å; F131-P475 HydrophobicContact CZ-CG 3.97Å; F131-L476 HydrophobicContact CZ-CD2 4.07Å; F131-V569 HydrophobicContact CB-CG2 3.74Å; F131-V569 HydrophobicContact CD1-CB 4.23Å; F131-V569 HydrophobicContact CD1-CG1 3.98Å; F131-V569 HydrophobicContact CD1-CG2 4.1Å; F131-V569 HydrophobicContact CD2-CB 4.32Å; F131-V569 HydrophobicContact CD2-CG1 4.14Å; F131-V569 HydrophobicContact CD2-CG2 3.45Å; F131-V569 VanDerWaalsContact CD2-CG2 3.45Å; F131-V569 HydrophobicContact CE1-CG1 3.76Å; F131-V569 HydrophobicContact CE2-CG1 3.9Å; F131-V569 HydrophobicContact CE2-CG2 4Å; F131-V569 HydrophobicContact CG-CB 4.14Å; F131-V569 HydrophobicContact CG-CG1 4.17Å; F131-V569 HydrophobicContact CG-CG2 3.5Å; F131-V569 VanDerWaalsContact CG-CG2 3.5Å; F131-V569 HydrophobicContact CZ-CG1 3.71Å; F131-Q572 VanDerWaalsContact CA-OE1 3.27Å; F131-Q572 HydrophobicContact CD1-CB 4.45Å; F131-Q572 PolarHBondContact O-NE2 3.04Å; F131-L573 HydrophobicContact CE1-CD2 4.21Å; F131-L573 HydrophobicContact CE1-CG 4.4Å
132	E	84.2	Confident	94.2	Very high	53 Å²	53	42.8 Å²	42.8	25%	0.248	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	119.4	179.7	-172.6	-177.6	174.2	0	0	110.8	R103 Y127 V129 R130 V134	R103-E132 IonicContact CZ-OE2 2.85Å; R103-E132 IonicContact NE-OE2 2.83Å; R103-E132 IonicContact NH2-OE2 3.66Å; R103-E132 PolarHBondContact NH2-OE2 2.99Å; Y127-E132 HydrophobicContact CE2-CG 3.9Å; Y127-E132 PolarHBondContact OH-OE1 3.47Å; V129-E132 HydrophobicContact CG2-CB 3.74Å; V129-E132 HydrophobicContact CG2-CG 4.46Å; V129-E132 PolarHBondContact N-O 3.34Å; V129-E132 CarbonylContact O-C 3.58Å; V129-E132 PolarHBondContact O-N 3.45Å; R130-E132 VanDerWaalsContact C-N 3.29Å; R130-E132 PolarHBondContact O-N 3.28Å; E132-V134 HydrophobicContact CG-CG2 4.45Å
133	D	91.1	Very high	94.3	Very high	90 Å²	90	42.3 Å²	42.3	48%	0.481	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	114.4	178.3	-166	-5.2	0	0	0	110	T128 T135	T128-D133 HydrophobicContact CG2-CB 4.03Å; T128-D133 PolarHBondContact OG1-OD1 3.44Å; D133-T135 WeakPolarHBondContact OD1-CB 3.33Å; D133-T135 WeakPolarHBondContact OD1-CG2 3.47Å; D133-T135 PolarHBondContact OD1-N 3.03Å; D133-T135 PolarHBondContact OD1-OG1 3.05Å
134	V	94.5	Very high	94.4	Very high	48 Å²	48	38.1 Å²	38.1	29%	0.291	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	72.8	177	-174.2	0	0	0	0	107.4	L121 G122 G126 Y127 E132	L121-V134 HydrophobicContact CG-CG1 4.3Å; G122-V134 WeakPolarHBondContact CA-O 3.48Å; G126-V134 CarbonylContact C-O 3.59Å; G126-V134 WeakPolarHBondContact CA-O 3.37Å; Y127-V134 HydrophobicContact CD1-CB 4.11Å; Y127-V134 HydrophobicContact CE1-CB 3.72Å; Y127-V134 HydrophobicContact CE1-CG1 4.26Å; Y127-V134 HydrophobicContact CE1-CG2 3.81Å; Y127-V134 HydrophobicContact CE2-CB 4.3Å; Y127-V134 HydrophobicContact CE2-CG2 3.93Å; Y127-V134 VanDerWaalsContact CZ-CG2 3.43Å; Y127-V134 PolarHBondContact N-O 3.23Å; Y127-V134 CarbonylContact O-C 3.6Å; Y127-V134 PolarHBondContact O-N 2.95Å; Y127-V134 WeakPolarHBondContact OH-CG2 3.45Å; E132-V134 HydrophobicContact CG-CG2 4.45Å
135	T	96.6	Very high	94.3	Very high	48 Å²	48	37.1 Å²	37.1	29%	0.294	20%	0.195	S	C	.	.			trans	-137	164.5	176.5	61.4	0	0	0	0	111.2	G122 D133 T139 K142	G122-T135 CarbonylContact O-C 3.56Å; D133-T135 WeakPolarHBondContact OD1-CB 3.33Å; D133-T135 WeakPolarHBondContact OD1-CG2 3.47Å; D133-T135 PolarHBondContact OD1-N 3.03Å; D133-T135 PolarHBondContact OD1-OG1 3.05Å; T135-T139 HydrophobicContact CG2-CG2 4.23Å; T135-K142 HydrophobicContact CG2-CD 4.46Å; T135-K142 HydrophobicContact CG2-CG 4.19Å
136	S	96.5	Very high	94.2	Very high	40 Å²	40	37.2 Å²	37.2	28%	0.28	20%	0.195	S	C	.	.			trans	-142.8	172.2	176.3	67.2	0	0	0	0	110	G122 E138 T139	G122-S136 WeakPolarHBondContact O-CB 2.8Å; G122-S136 PolarHBondContact O-N 3.45Å; G122-S136 VanDerWaalsContact O-N 3.12Å; G122-S136 PolarHBondContact O-OG 3.18Å; S136-E138 PolarHBondContact O-N 2.83Å; S136-E138 VanDerWaalsContact O-N 3.1Å; S136-E138 PolarHBondContact OG-N 2.72Å; S136-T139 PolarHBondContact N-OG1 3.43Å; S136-T139 VanDerWaalsContact O-CB 3.31Å; S136-T139 WeakPolarHBondContact O-CB 3.46Å; S136-T139 PolarHBondContact O-N 3.03Å; S136-T139 PolarHBondContact O-OG1 3.5Å
137	P	95.1	Very high	93.9	Very high	135 Å²	135	38.1 Å²	38.1	88%	0.877	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.9	172.6	-26.2	36.4	0	0	0	114.2	T139	P137-T139 VanDerWaalsContact C-N 3.34Å
138	E	95	Very high	93.8	Very high	115 Å²	115	38.6 Å²	38.6	54%	0.537	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-18	176.5	-63.2	176.9	-158.4	0	0	113.2	S136 K140	S136-E138 PolarHBondContact O-N 2.83Å; S136-E138 VanDerWaalsContact O-N 3.1Å; S136-E138 PolarHBondContact OG-N 2.72Å; E138-K140 PolarHBondContact O-N 2.72Å
139	T	96.9	Very high	93.8	Very high	6 Å²	6	38.4 Å²	38.4	4%	0.037	21%	0.206	C	C	.	.			trans	-60.8	131.7	-176.8	-56.1	0	0	0	0	111.3	L95 G122 K123 T135 S136 P137 K142	L95-T139 WeakPolarHBondContact CD2-O 3.43Å; G122-T139 PolarHBondContact O-OG1 2.94Å; K123-T139 WeakPolarHBondContact O-CA 3.15Å; K123-T139 VanDerWaalsContact O-CB 3.29Å; K123-T139 WeakPolarHBondContact O-CB 3.4Å; K123-T139 PolarHBondContact O-N 3.3Å; K123-T139 PolarHBondContact O-OG1 2.86Å; T135-T139 HydrophobicContact CG2-CG2 4.23Å; S136-T139 PolarHBondContact N-OG1 3.43Å; S136-T139 VanDerWaalsContact O-CB 3.31Å; S136-T139 WeakPolarHBondContact O-CB 3.46Å; S136-T139 PolarHBondContact O-N 3.03Å; S136-T139 PolarHBondContact O-OG1 3.5Å; P137-T139 VanDerWaalsContact C-N 3.34Å; T139-K142 HydrophobicContact CG2-CB 4.34Å
140	K	96.7	Very high	93.9	Very high	81 Å²	81	38.5 Å²	38.5	35%	0.352	21%	0.207	S	C	.	.			trans	-123.9	-30.8	174.9	-59.3	-62.2	176.6	-168.6	0	112.6	F86 L95 I96 L124 E138	F86-K140 HydrophobicContact CD2-CB 3.97Å; F86-K140 HydrophobicContact CE2-CB 3.56Å; F86-K140 HydrophobicContact CE2-CG 3.79Å; F86-K140 HydrophobicContact CZ-CB 4.39Å; F86-K140 HydrophobicContact CZ-CG 4.42Å; L95-K140 HydrophobicContact CD2-CD 4.4Å; I96-K140 PolarHBondContact N-O 2.85Å; L124-K140 HydrophobicContact CD1-CB 3.88Å; L124-K140 HydrophobicContact CD1-CG 3.95Å; L124-K140 PolarHBondContact O-N 3.37Å; E138-K140 PolarHBondContact O-N 2.72Å
141	L	97.7	Very high	94.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	105.5	172.8	-62.5	-177.8	0	0	0	108.5	P82 Q83 F86 I96 V113 L124 V125 G126	P82-L141 HydrophobicContact CB-CD2 4.16Å; Q83-L141 HydrophobicContact CG-CD1 4.38Å; F86-L141 HydrophobicContact CB-CD2 3.96Å; F86-L141 HydrophobicContact CB-CG 4.47Å; F86-L141 HydrophobicContact CG-CD2 4.47Å; I96-L141 HydrophobicContact CB-CD2 3.92Å; I96-L141 HydrophobicContact CD1-CD2 3.89Å; I96-L141 HydrophobicContact CG1-CD2 4.32Å; I96-L141 HydrophobicContact CG2-CD2 4.32Å; V113-L141 HydrophobicContact CG1-CD1 4.31Å; L124-L141 PolarHBondContact O-N 2.76Å; L124-L141 VanDerWaalsContact O-N 3.08Å; V125-L141 WeakPolarHBondContact CA-O 3.4Å; V125-L141 HydrophobicContact CG2-CB 4.26Å; V125-L141 HydrophobicContact CG2-CD1 4.17Å; G126-L141 PolarHBondContact N-O 2.78Å
142	K	98.1	Very high	94.7	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	108.7	-176.7	-169.8	-179.4	-173.6	175.7	0	110.1	I96 A97 I98 T128 T135 T139 M144 E152 Y162	I96-K142 PolarHBondContact O-N 2.97Å; A97-K142 WeakPolarHBondContact CA-O 3.39Å; I98-K142 PolarHBondContact N-O 2.98Å; T128-K142 WeakPolarHBondContact OG1-CE 3.35Å; T128-K142 PolarHBondContact OG1-NZ 3.13Å; T135-K142 HydrophobicContact CG2-CD 4.46Å; T135-K142 HydrophobicContact CG2-CG 4.19Å; T139-K142 HydrophobicContact CG2-CB 4.34Å; K142-M144 HydrophobicContact CD-CE 4.06Å; K142-M144 HydrophobicContact CD-SD 4.21Å; K142-M144 HydrophobicContact CG-SD 4.45Å; K142-E152 IonicContact NZ-OE1 2.85Å; K142-E152 PolarHBondContact NZ-OE1 3.47Å; K142-Y162 HydrophobicContact CD-CE1 4.27Å; K142-Y162 WeakPolarHBondContact CD-OH 3.46Å
143	F	98.3	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.1	171.3	-71.5	-96.7	0	0	0	109.7	P82 I98 L109 A110 V113 V125 G126 Y127 T128	P82-F143 HydrophobicContact CG-CZ 4.44Å; I98-F143 HydrophobicContact CB-CD1 3.8Å; I98-F143 HydrophobicContact CB-CE1 3.92Å; I98-F143 HydrophobicContact CB-CG 4.29Å; I98-F143 HydrophobicContact CB-CZ 4.49Å; I98-F143 HydrophobicContact CD1-CD2 4.36Å; I98-F143 HydrophobicContact CD1-CE2 4.21Å; I98-F143 HydrophobicContact CD1-CZ 4.3Å; I98-F143 HydrophobicContact CG1-CD1 4.42Å; I98-F143 HydrophobicContact CG1-CE1 4.16Å; I98-F143 HydrophobicContact CG1-CZ 4.25Å; I98-F143 HydrophobicContact CG2-CD1 3.83Å; I98-F143 HydrophobicContact CG2-CE1 3.73Å; I98-F143 CarbonylContact O-C 3.55Å; I98-F143 WeakPolarHBondContact O-CA 3.46Å; L109-F143 HydrophobicContact CB-CD1 4.03Å; L109-F143 HydrophobicContact CB-CE1 3.96Å; A110-F143 HydrophobicContact CB-CB 3.92Å; A110-F143 HydrophobicContact CB-CD2 3.77Å; A110-F143 HydrophobicContact CB-CG 3.96Å; V113-F143 HydrophobicContact CB-CE2 4.15Å; V113-F143 HydrophobicContact CB-CZ 4.25Å; V113-F143 HydrophobicContact CG1-CE2 4.26Å; V113-F143 HydrophobicContact CG1-CZ 4.48Å; V113-F143 HydrophobicContact CG2-CE2 4.29Å; V113-F143 HydrophobicContact CG2-CZ 3.87Å; V125-F143 HydrophobicContact CG1-CD2 4.11Å; V125-F143 HydrophobicContact CG1-CE2 3.98Å; G126-F143 PolarHBondContact O-N 3.33Å; Y127-F143 CarbonylContact C-O 3.57Å; Y127-F143 WeakPolarHBondContact CA-O 3.17Å; Y127-F143 VanDerWaalsContact CB-O 3.24Å; Y127-F143 WeakPolarHBondContact CB-O 3.43Å; T128-F143 PolarHBondContact N-O 3.01Å
144	M	97.6	Very high	95.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	162.2	-178.7	64.9	-154.9	-42.2	0	0	112.6	A97 I98 T99 Q100 T128 K142 M148 L149 E152	A97-M144 HydrophobicContact CB-SD 4.18Å; I98-M144 PolarHBondContact O-N 3.45Å; T99-M144 CarbonylContact C-O 3.14Å; T99-M144 VanDerWaalsContact CA-O 3.24Å; T99-M144 WeakPolarHBondContact CA-O 3.29Å; T99-M144 HydrophobicContact CG2-CG 4.24Å; Q100-M144 PolarHBondContact N-O 3.24Å; T128-M144 WeakPolarHBondContact O-CA 3.34Å; T128-M144 WeakPolarHBondContact O-CB 3.48Å; K142-M144 HydrophobicContact CD-CE 4.06Å; K142-M144 HydrophobicContact CD-SD 4.21Å; K142-M144 HydrophobicContact CG-SD 4.45Å; M144-M148 HydrophobicContact CB-CB 4.39Å; M144-M148 HydrophobicContact CE-CB 4.05Å; M144-L149 HydrophobicContact CE-CB 4.45Å; M144-L149 HydrophobicContact CG-CB 4.37Å; M144-L149 HydrophobicContact SD-CB 4Å; M144-L149 HydrophobicContact SD-CD1 4.13Å; M144-E152 WeakPolarHBondContact CE-OE1 3.42Å
145	T	95.4	Very high	94.8	Very high	19 Å²	19	34.1 Å²	34.1	12%	0.117	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	148.8	169	48.3	0	0	0	0	111	Q100 R103 T128 V129 G147 M148 L149	Q100-T145 VanDerWaalsContact O-CA 3.23Å; Q100-T145 WeakPolarHBondContact O-CA 3.4Å; R103-T145 HydrophobicContact CB-CG2 4.26Å; T128-T145 PolarHBondContact O-N 2.79Å; V129-T145 HydrophobicContact CB-CG2 4.24Å; V129-T145 HydrophobicContact CG1-CG2 3.9Å; T145-G147 PolarHBondContact O-N 3.26Å; T145-M148 WeakPolarHBondContact O-CB 3.32Å; T145-M148 PolarHBondContact O-N 3.26Å; T145-M148 VanDerWaalsContact OG1-CG 3.29Å; T145-M148 WeakPolarHBondContact OG1-CG 3.33Å; T145-L149 PolarHBondContact O-N 2.84Å
146	D	95	Very high	94.7	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-50	-45.1	179.5	-58.6	-23.4	0	0	0	112.5	T99 Q100 M148 L149 L150 H176 T177 L180	T99-D146 WeakPolarHBondContact CB-OD1 3.38Å; T99-D146 PolarHBondContact OG1-OD1 3.36Å; Q100-D146 PolarHBondContact N-OD1 2.53Å; Q100-D146 PolarHBondContact O-N 3.42Å; D146-M148 VanDerWaalsContact C-N 3.26Å; D146-M148 PolarHBondContact O-N 3.31Å; D146-L149 PolarHBondContact O-N 2.77Å; D146-L149 VanDerWaalsContact O-N 3.16Å; D146-L150 PolarHBondContact O-N 2.89Å; D146-H176 HydrophobicContact CB-CB 3.79Å; D146-T177 WeakPolarHBondContact OD2-CB 3.25Å; D146-T177 PolarHBondContact OD2-OG1 2.83Å; D146-L180 HydrophobicContact CB-CD2 4.32Å
147	G	92.6	Very high	94.5	Very high	18 Å²	18	34.6 Å²	34.6	19%	0.186	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-26	177.7	0	0	0	0	0	114.7	T145 R151	T145-G147 PolarHBondContact O-N 3.26Å; G147-R151 WeakPolarHBondContact O-CB 3.4Å; G147-R151 PolarHBondContact O-N 3.43Å
148	M	94.3	Very high	94.4	Very high	25 Å²	25	30.4 Å²	30.4	12%	0.123	17%	0.173	C	C	.	.	H	α-helix	trans	-75.6	-36.9	175.6	-70.6	-52.7	-66.1	0	0	111.6	T128 R130 M144 T145 D146 R151 E152	T128-M148 HydrophobicContact CG2-CE 3.67Å; T128-M148 HydrophobicContact CG2-CG 4.4Å; R130-M148 HydrophobicContact CB-SD 4.42Å; M144-M148 HydrophobicContact CB-CB 4.39Å; M144-M148 HydrophobicContact CE-CB 4.05Å; T145-M148 WeakPolarHBondContact O-CB 3.32Å; T145-M148 PolarHBondContact O-N 3.26Å; T145-M148 VanDerWaalsContact OG1-CG 3.29Å; T145-M148 WeakPolarHBondContact OG1-CG 3.33Å; D146-M148 VanDerWaalsContact C-N 3.26Å; D146-M148 PolarHBondContact O-N 3.31Å; M148-R151 PolarHBondContact O-N 2.65Å; M148-E152 PolarHBondContact O-N 3.48Å
149	L	95.9	Very high	94.5	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.8	-40	174	-174.1	58.7	0	0	0	111.3	A97 T99 M144 T145 D146 R151 E152 A153 L159 Y162 V165 L180	A97-L149 HydrophobicContact CB-CD2 4.31Å; T99-L149 HydrophobicContact CG2-CB 4.11Å; T99-L149 HydrophobicContact CG2-CD2 3.53Å; T99-L149 HydrophobicContact CG2-CG 4.46Å; M144-L149 HydrophobicContact CE-CB 4.45Å; M144-L149 HydrophobicContact CG-CB 4.37Å; M144-L149 HydrophobicContact SD-CB 4Å; M144-L149 HydrophobicContact SD-CD1 4.13Å; T145-L149 PolarHBondContact O-N 2.84Å; D146-L149 PolarHBondContact O-N 2.77Å; D146-L149 VanDerWaalsContact O-N 3.16Å; L149-R151 VanDerWaalsContact C-N 3.27Å; L149-R151 PolarHBondContact O-N 3.44Å; L149-E152 PolarHBondContact O-N 3.11Å; L149-A153 PolarHBondContact O-N 3.25Å; L149-L159 HydrophobicContact CD1-CD2 3.84Å; L149-L159 HydrophobicContact CG-CD2 4.46Å; L149-Y162 HydrophobicContact CD1-CD2 4.07Å; L149-Y162 HydrophobicContact CD1-CE2 3.68Å; L149-V165 HydrophobicContact CD2-CG1 3.73Å; L149-V165 HydrophobicContact CD2-CG2 4.13Å; L149-L180 HydrophobicContact CB-CD1 4.31Å; L149-L180 HydrophobicContact CB-CD2 4.36Å; L149-L180 HydrophobicContact CD2-CD1 3.92Å; L149-L180 HydrophobicContact CD2-CD2 4.01Å; L149-L180 HydrophobicContact CD2-CG 4.49Å; L149-L180 HydrophobicContact CG-CD1 3.95Å
150	L	93.2	Very high	94.5	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-57	-42.1	171.4	-76.7	177.9	0	0	0	112.2	D146 A153 I154 H176 V179 L180 V183	D146-L150 PolarHBondContact O-N 2.89Å; L150-A153 VanDerWaalsContact O-CB 3.3Å; L150-A153 WeakPolarHBondContact O-CB 3.49Å; L150-A153 PolarHBondContact O-N 3.07Å; L150-I154 PolarHBondContact O-N 3.42Å; L150-H176 HydrophobicContact CD1-CB 3.79Å; L150-H176 WeakPolarHBondContact CD1-ND1 3.4Å; L150-H176 WeakPolarHBondContact CD1-O 3.31Å; L150-V179 HydrophobicContact CD1-CB 4.12Å; L150-V179 HydrophobicContact CD1-CG1 4Å; L150-V179 HydrophobicContact CD2-CB 4.38Å; L150-V179 HydrophobicContact CD2-CG1 3.74Å; L150-L180 HydrophobicContact CD2-CB 3.88Å; L150-L180 HydrophobicContact CD2-CD1 3.78Å; L150-L180 HydrophobicContact CD2-CG 4.44Å; L150-L180 HydrophobicContact CG-CB 4.13Å; L150-L180 HydrophobicContact CG-CD1 4.13Å; L150-V183 HydrophobicContact CD2-CB 4.29Å; L150-V183 HydrophobicContact CD2-CG2 3.87Å
151	R	90.1	Very high	94.4	Very high	64 Å²	64	31.5 Å²	31.5	24%	0.242	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-41.9	177.9	-171.8	172.9	-172.3	-158.4	-2.8	112.6	G147 M148 L149 A153 I154 S473 P475	G147-R151 WeakPolarHBondContact O-CB 3.4Å; G147-R151 PolarHBondContact O-N 3.43Å; M148-R151 PolarHBondContact O-N 2.65Å; L149-R151 VanDerWaalsContact C-N 3.27Å; L149-R151 PolarHBondContact O-N 3.44Å; R151-A153 PolarHBondContact O-N 3.35Å; R151-I154 WeakPolarHBondContact O-CB 3.02Å; R151-I154 PolarHBondContact O-N 2.9Å; R151-I154 VanDerWaalsContact O-N 3.14Å; R151-S473 PolarHBondContact NH2-O 2.96Å; R151-P475 VanDerWaalsContact NH1-CB 3.26Å
152	E	93.4	Very high	94.3	Very high	36 Å²	36	31.5 Å²	31.5	17%	0.168	18%	0.175	C	C	.	.	H	α-helix	trans	-61.4	-34.7	173.1	-73.2	-171.4	-157.9	0	0	111.7	K142 M144 M148 L149 I154 G155 D156 R161 Y162	K142-E152 IonicContact NZ-OE1 2.85Å; K142-E152 PolarHBondContact NZ-OE1 3.47Å; M144-E152 WeakPolarHBondContact CE-OE1 3.42Å; M148-E152 PolarHBondContact O-N 3.48Å; L149-E152 PolarHBondContact O-N 3.11Å; E152-I154 PolarHBondContact O-N 2.74Å; E152-G155 PolarHBondContact O-N 3.17Å; E152-D156 PolarHBondContact O-N 3.26Å; E152-R161 IonicContact OE2-NH1 3.99Å; E152-Y162 VanDerWaalsContact CD-OH 3.29Å; E152-Y162 PolarHBondContact OE1-OH 3.48Å; E152-Y162 VanDerWaalsContact OE2-CE2 3.25Å; E152-Y162 WeakPolarHBondContact OE2-CE2 3.41Å; E152-Y162 VanDerWaalsContact OE2-CZ 3.29Å; E152-Y162 PolarHBondContact OE2-OH 3.2Å
153	A	93.6	Very high	94.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62	-26.7	175.6	0	0	0	0	0	113	L149 L150 R151 G155 D156 P157 L159 V183 L423	L149-A153 PolarHBondContact O-N 3.25Å; L150-A153 VanDerWaalsContact O-CB 3.3Å; L150-A153 WeakPolarHBondContact O-CB 3.49Å; L150-A153 PolarHBondContact O-N 3.07Å; R151-A153 PolarHBondContact O-N 3.35Å; A153-G155 VanDerWaalsContact C-N 3.29Å; A153-G155 PolarHBondContact O-N 3.41Å; A153-D156 WeakPolarHBondContact CA-O 3.24Å; A153-D156 CarbonylContact O-C 3.55Å; A153-D156 PolarHBondContact O-N 3.14Å; A153-P157 WeakPolarHBondContact O-CA 3.29Å; A153-P157 WeakPolarHBondContact O-CD 3.49Å; A153-P157 WeakPolarHBondContact O-CG 3.3Å; A153-L159 HydrophobicContact CB-CD2 3.8Å; A153-L159 HydrophobicContact CB-CG 4.49Å; A153-V183 HydrophobicContact CB-CG1 3.83Å; A153-L423 HydrophobicContact CB-CD2 3.62Å; A153-L423 WeakPolarHBondContact O-CD2 3.4Å
154	I	90	Very high	94.2	Very high	46 Å²	46	31.7 Å²	31.7	24%	0.236	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-40	176.7	-61.7	171.6	0	0	0	110.6	L150 R151 E152 Q419 A422 L423	L150-I154 PolarHBondContact O-N 3.42Å; R151-I154 WeakPolarHBondContact O-CB 3.02Å; R151-I154 PolarHBondContact O-N 2.9Å; R151-I154 VanDerWaalsContact O-N 3.14Å; E152-I154 PolarHBondContact O-N 2.74Å; I154-Q419 HydrophobicContact CD1-CG 4.36Å; I154-A422 HydrophobicContact CG2-CB 4.19Å; I154-L423 HydrophobicContact CB-CD2 4.49Å; I154-L423 HydrophobicContact CG1-CD2 4.09Å; I154-L423 HydrophobicContact CG1-CG 4.14Å
155	G	89.3	Confident	94.2	Very high	73 Å²	73	31.7 Å²	31.7	75%	0.753	18%	0.177	S	C	*	.	H	α-helix	trans	-87	-26.4	176.5	0	0	0	0	0	114.1	E152 A153	E152-G155 PolarHBondContact O-N 3.17Å; A153-G155 VanDerWaalsContact C-N 3.29Å; A153-G155 PolarHBondContact O-N 3.41Å
156	D	93.6	Very high	94.3	Very high	32 Å²	32	30.8 Å²	30.8	17%	0.171	17%	0.171	C	C	.	.			trans	-132.6	78	178.4	-179.7	7.9	0	0	0	110.1	E152 A153 M158 L159 L160 R161	E152-D156 PolarHBondContact O-N 3.26Å; A153-D156 WeakPolarHBondContact CA-O 3.24Å; A153-D156 CarbonylContact O-C 3.55Å; A153-D156 PolarHBondContact O-N 3.14Å; D156-M158 PolarHBondContact O-N 3.34Å; D156-M158 VanDerWaalsContact O-N 3.12Å; D156-L159 WeakPolarHBondContact O-CA 3.34Å; D156-L159 PolarHBondContact O-N 3.39Å; D156-L159 PolarHBondContact OD1-N 2.95Å; D156-L159 WeakPolarHBondContact OD2-CA 3.26Å; D156-L160 PolarHBondContact OD1-N 3.2Å; D156-L160 PolarHBondContact OD2-N 3.01Å; D156-R161 PolarHBondContact OD2-N 3.16Å
157	P	92.7	Very high	94.4	Very high	66 Å²	66	30.6 Å²	30.6	43%	0.429	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.2	-174.7	-25.2	34.5	0	0	0	114.2	A153	A153-P157 WeakPolarHBondContact O-CA 3.29Å; A153-P157 WeakPolarHBondContact O-CD 3.49Å; A153-P157 WeakPolarHBondContact O-CG 3.3Å
158	M	94.2	Very high	94.5	Very high	46 Å²	46	29.8 Å²	29.8	23%	0.227	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-5	173.5	-71.9	-173.4	-76.1	0	0	112.3	D156 L160 R190 R191 L194	D156-M158 PolarHBondContact O-N 3.34Å; D156-M158 VanDerWaalsContact O-N 3.12Å; M158-L160 HydrophobicContact CB-CD2 3.84Å; M158-L160 HydrophobicContact CB-CG 3.81Å; M158-L160 HydrophobicContact CE-CD1 3.95Å; M158-L160 HydrophobicContact CE-CG 4.42Å; M158-L160 PolarHBondContact O-N 3.05Å; M158-L160 HydrophobicContact SD-CD2 4.43Å; M158-R190 HydrophobicContact CG-CB 4.39Å; M158-R190 HydrophobicContact CG-CG 4.04Å; M158-R190 HydrophobicContact SD-CG 4.05Å; M158-R191 HydrophobicContact CB-CG 4.4Å; M158-R191 PolarHBondContact O-NE 2.69Å; M158-R191 PolarHBondContact O-NH2 3.35Å; M158-L194 HydrophobicContact CE-CD1 4.42Å; M158-L194 HydrophobicContact SD-CD1 3.77Å
159	L	96.3	Very high	94.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.158	C	C	.	.			trans	56.4	27.7	-177.7	-64.1	175	0	0	0	114	L149 A153 D156 R161 Y162 V184 R191 L199	L149-L159 HydrophobicContact CD1-CD2 3.84Å; L149-L159 HydrophobicContact CG-CD2 4.46Å; A153-L159 HydrophobicContact CB-CD2 3.8Å; A153-L159 HydrophobicContact CB-CG 4.49Å; D156-L159 WeakPolarHBondContact O-CA 3.34Å; D156-L159 PolarHBondContact O-N 3.39Å; D156-L159 PolarHBondContact OD1-N 2.95Å; D156-L159 WeakPolarHBondContact OD2-CA 3.26Å; L159-R161 PolarHBondContact O-N 3.41Å; L159-Y162 HydrophobicContact CB-CD2 4.26Å; L159-Y162 HydrophobicContact CD2-CD2 4.41Å; L159-Y162 PolarHBondContact O-N 3.27Å; L159-V184 HydrophobicContact CD1-CG1 4.02Å; L159-R191 PolarHBondContact O-NH2 2.84Å; L159-L199 HydrophobicContact CD1-CD2 4.33Å
160	L	95.7	Very high	94.1	Very high	83 Å²	83	29.1 Å²	29.1	44%	0.435	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-25.4	-167.9	-65.8	177.2	0	0	0	114.9	D156 M158 Y162 R191 K196	D156-L160 PolarHBondContact OD1-N 3.2Å; D156-L160 PolarHBondContact OD2-N 3.01Å; M158-L160 HydrophobicContact CB-CD2 3.84Å; M158-L160 HydrophobicContact CB-CG 3.81Å; M158-L160 HydrophobicContact CE-CD1 3.95Å; M158-L160 HydrophobicContact CE-CG 4.42Å; M158-L160 PolarHBondContact O-N 3.05Å; M158-L160 HydrophobicContact SD-CD2 4.43Å; L160-Y162 PolarHBondContact O-N 3.39Å; L160-R191 HydrophobicContact CD2-CG 4.46Å; L160-K196 HydrophobicContact CD2-CB 4.38Å; L160-K196 HydrophobicContact CD2-CG 4.4Å
161	R	95	Very high	93.8	Very high	142 Å²	142	30.2 Å²	30.2	54%	0.536	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-26	172.9	-61.4	179.2	68.9	-172.9	4.4	113.7	L95 E152 D156 L159	L95-R161 PolarHBondContact N-O 3.34Å; E152-R161 IonicContact OE2-NH1 3.99Å; D156-R161 PolarHBondContact OD2-N 3.16Å; L159-R161 PolarHBondContact O-N 3.41Å
162	Y	97	Very high	93.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.2	-175.7	-56.6	-78	0	0	0	111.8	L95 A97 K142 L149 E152 L159 L160 R191	L95-Y162 HydrophobicContact CB-CD1 3.48Å; L95-Y162 VanDerWaalsContact CB-CD1 3.48Å; L95-Y162 HydrophobicContact CB-CE1 3.66Å; L95-Y162 HydrophobicContact CB-CG 4.47Å; L95-Y162 HydrophobicContact CD1-CD1 4.41Å; L95-Y162 HydrophobicContact CD1-CE1 3.86Å; L95-Y162 HydrophobicContact CG-CE1 4.41Å; L95-Y162 WeakPolarHBondContact O-CA 3.43Å; A97-Y162 HydrophobicContact CB-CD1 3.55Å; A97-Y162 HydrophobicContact CB-CE1 3.68Å; A97-Y162 HydrophobicContact CB-CG 4.22Å; K142-Y162 HydrophobicContact CD-CE1 4.27Å; K142-Y162 WeakPolarHBondContact CD-OH 3.46Å; L149-Y162 HydrophobicContact CD1-CD2 4.07Å; L149-Y162 HydrophobicContact CD1-CE2 3.68Å; E152-Y162 VanDerWaalsContact CD-OH 3.29Å; E152-Y162 PolarHBondContact OE1-OH 3.48Å; E152-Y162 VanDerWaalsContact OE2-CE2 3.25Å; E152-Y162 WeakPolarHBondContact OE2-CE2 3.41Å; E152-Y162 VanDerWaalsContact OE2-CZ 3.29Å; E152-Y162 PolarHBondContact OE2-OH 3.2Å; L159-Y162 HydrophobicContact CB-CD2 4.26Å; L159-Y162 HydrophobicContact CD2-CD2 4.41Å; L159-Y162 PolarHBondContact O-N 3.27Å; L160-Y162 PolarHBondContact O-N 3.39Å; Y162-R191 PolarHBondContact O-NH1 2.83Å; Y162-R191 PolarHBondContact O-NH2 2.88Å
163	T	95.4	Very high	93.3	Very high	9 Å²	9	28.2 Å²	28.2	6%	0.055	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-23.5	172.8	56	0	0	0	0	112	G91 Q93 L95 I197 R200	G91-T163 VanDerWaalsContact C-OG1 3.32Å; G91-T163 WeakPolarHBondContact CA-OG1 3.32Å; G91-T163 PolarHBondContact O-OG1 2.96Å; Q93-T163 HydrophobicContact CB-CG2 4Å; L95-T163 PolarHBondContact O-N 3.08Å; T163-I197 HydrophobicContact CG2-CG2 4.2Å; T163-R200 PolarHBondContact O-N 3.16Å
164	V	97.6	Very high	93.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.6	172.3	-170.6	0	0	0	0	109.1	L85 I96 A97 V166 R200 I202	L85-V164 HydrophobicContact CD1-CG1 4.13Å; I96-V164 WeakPolarHBondContact CA-O 3.39Å; I96-V164 HydrophobicContact CG1-CB 4.19Å; I96-V164 HydrophobicContact CG1-CG2 4.35Å; I96-V164 HydrophobicContact CG2-CB 4.17Å; I96-V164 HydrophobicContact CG2-CG1 4.41Å; A97-V164 PolarHBondContact N-O 3.2Å; V164-V166 HydrophobicContact CG1-CG2 4.19Å; V164-R200 CarbonylContact C-O 3.35Å; V164-R200 WeakPolarHBondContact CA-O 3.36Å; V164-R200 HydrophobicContact CG1-CB 4.37Å; V164-R200 HydrophobicContact CG1-CG 4.37Å; V164-R200 HydrophobicContact CG2-CB 4.23Å; V164-I202 HydrophobicContact CG1-CD1 4.08Å
165	V	98.1	Very high	93.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122	167.8	172.8	0	0	0	0	108.1	A97 L149 L167 V184 L199 R200 V201 I202	A97-V165 HydrophobicContact CB-CG2 4.16Å; L149-V165 HydrophobicContact CD2-CG1 3.73Å; L149-V165 HydrophobicContact CD2-CG2 4.13Å; V165-L167 HydrophobicContact CG1-CD2 3.89Å; V165-L167 HydrophobicContact CG1-CG 4.08Å; V165-V184 HydrophobicContact CG1-CG1 4.17Å; V165-L199 HydrophobicContact CG2-CD1 3.96Å; V165-L199 HydrophobicContact CG2-CD2 4.47Å; V165-R200 PolarHBondContact N-O 3.38Å; V165-V201 WeakPolarHBondContact O-CA 3.45Å; V165-I202 PolarHBondContact O-N 3.49Å
166	V	97.9	Very high	93.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.3	173.6	-175.5	0	0	0	0	107.8	L85 I96 A97 I98 T99 V164 I202 M204	L85-V166 HydrophobicContact CD1-CG2 4.19Å; I96-V166 HydrophobicContact CG2-CG2 4.3Å; A97-V166 PolarHBondContact O-N 3.23Å; I98-V166 HydrophobicContact CG1-CB 4.42Å; I98-V166 HydrophobicContact CG2-CB 4.38Å; I98-V166 HydrophobicContact CG2-CG1 4.43Å; T99-V166 PolarHBondContact N-O 2.96Å; V164-V166 HydrophobicContact CG1-CG2 4.19Å; V166-I202 CarbonylContact C-O 3.57Å; V166-I202 VanDerWaalsContact CA-O 3.28Å; V166-I202 WeakPolarHBondContact CA-O 3.3Å; V166-I202 HydrophobicContact CG1-CB 4.5Å; V166-I202 HydrophobicContact CG1-CG2 4.49Å; V166-I202 HydrophobicContact CG2-CB 4.32Å; V166-I202 HydrophobicContact CG2-CD1 4.45Å; V166-M204 HydrophobicContact CG1-CE 3.31Å; V166-M204 HydrophobicContact CG1-CG 3.9Å; V166-M204 HydrophobicContact CG1-SD 3.7Å
167	L	96.8	Very high	93.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	92.9	176.8	-60.1	165.5	0	0	0	107.9	T99 V165 L180 F181 V184 V201 I202 V203 M204 F217	T99-L167 HydrophobicContact CG2-CD2 4.45Å; V165-L167 HydrophobicContact CG1-CD2 3.89Å; V165-L167 HydrophobicContact CG1-CG 4.08Å; L167-L180 HydrophobicContact CD2-CD2 3.38Å; L167-L180 HydrophobicContact CD2-CG 3.75Å; L167-F181 HydrophobicContact CB-CE1 4.15Å; L167-F181 HydrophobicContact CD1-CD1 3.53Å; L167-F181 HydrophobicContact CD1-CE1 3.76Å; L167-F181 HydrophobicContact CG-CD1 4.47Å; L167-F181 HydrophobicContact CG-CE1 4.39Å; L167-V184 HydrophobicContact CD1-CG2 4.05Å; L167-V201 HydrophobicContact CD1-CG1 3.77Å; L167-I202 PolarHBondContact N-O 3.35Å; L167-V203 HydrophobicContact CD1-CG2 4.06Å; L167-V203 WeakPolarHBondContact O-CA 3.15Å; L167-M204 PolarHBondContact O-N 2.58Å; L167-F217 HydrophobicContact CD1-CZ 4.09Å
168	D	94.8	Very high	93.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.104	C	C	.	.			trans	-92	161.4	-174.8	-160.4	12.8	0	0	0	113.2	T78 T99 Q100 A170 M204	T78-D168 WeakPolarHBondContact CB-OD2 3.46Å; T78-D168 WeakPolarHBondContact CG2-OD2 3.25Å; T78-D168 PolarHBondContact OG1-OD2 2.78Å; T99-D168 VanDerWaalsContact O-CB 3.27Å; T99-D168 WeakPolarHBondContact O-CB 3.39Å; T99-D168 PolarHBondContact O-N 2.91Å; Q100-D168 VanDerWaalsContact NE2-CB 3.33Å; Q100-D168 PolarHBondContact NE2-OD2 2.82Å; D168-A170 PolarHBondContact O-N 3.28Å; D168-A170 VanDerWaalsContact O-N 3.09Å; D168-M204 HydrophobicContact CB-CB 4.49Å; D168-M204 HydrophobicContact CB-CE 3.62Å; D168-M204 VanDerWaalsContact OD1-CB 3.25Å; D168-M204 WeakPolarHBondContact OD1-CB 3.29Å; D168-M204 VanDerWaalsContact OD1-CE 3.26Å; D168-M204 WeakPolarHBondContact OD1-CE 3.1Å; D168-M204 WeakPolarHBondContact OD2-CE 3.11Å
169	E	90.5	Very high	93.2	Very high	12 Å²	12	20.4 Å²	20.4	6%	0.056	9%	0.093	C	C	.	.	S	Bend	trans	50.4	35.3	-178	-58.2	-71.2	140.9	0	0	111.7	P101 H171 E172 M204	P101-E169 HydrophobicContact CG-CB 3.84Å; E169-H171 PolarHBondContact O-N 3.24Å; E169-H171 IonicContact OE2-CE1 2.86Å; E169-H171 PolarHBondContact OE2-CE1 2.98Å; E169-H171 IonicContact OE2-NE2 3.96Å; E169-H171 PolarHBondContact OE2-NE2 3.5Å; E169-E172 HydrophobicContact CB-CG 4.47Å; E169-E172 PolarHBondContact O-N 3.27Å; E169-M204 PolarHBondContact N-O 3.19Å
170	A	91	Very high	93.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-58.7	-18	-172.8	0	0	0	0	0	113.8	D168 E172 R173 F181 V203 M204 F213	D168-A170 PolarHBondContact O-N 3.28Å; D168-A170 VanDerWaalsContact O-N 3.09Å; A170-E172 VanDerWaalsContact C-N 3.31Å; A170-R173 WeakPolarHBondContact O-CD 3.3Å; A170-R173 PolarHBondContact O-N 3.09Å; A170-F181 HydrophobicContact CB-CE1 4.45Å; A170-F181 HydrophobicContact CB-CZ 3.96Å; A170-V203 HydrophobicContact CB-CG1 3.53Å; A170-M204 WeakPolarHBondContact CB-O 3.46Å; A170-M204 PolarHBondContact N-O 3.46Å; A170-F213 HydrophobicContact CB-CE1 3.77Å; A170-F213 HydrophobicContact CB-CZ 3.84Å; A170-F213 WeakPolarHBondContact O-CZ 3.49Å
171	H	86.4	Confident	93	Very high	25 Å²	25	16.4 Å²	16.4	12%	0.116	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-73.1	-15.8	174.6	61.9	-85.3	0	0	0	114.6	E169 R173 S205 A206 T207 T333 Q375	E169-H171 PolarHBondContact O-N 3.24Å; E169-H171 IonicContact OE2-CE1 2.86Å; E169-H171 PolarHBondContact OE2-CE1 2.98Å; E169-H171 IonicContact OE2-NE2 3.96Å; E169-H171 PolarHBondContact OE2-NE2 3.5Å; H171-R173 PolarHBondContact O-N 3.2Å; H171-S205 WeakPolarHBondContact CB-OG 3.29Å; H171-A206 PolarHBondContact ND1-N 3.16Å; H171-T207 HydrophobicContact CB-CG2 3.6Å; H171-T207 VanDerWaalsContact CB-OG1 3.22Å; H171-T207 WeakPolarHBondContact CB-OG1 3.23Å; H171-T333 WeakPolarHBondContact NE2-CG2 3.46Å; H171-Q375 PolarHBondContact CD2-NE2 3.24Å; H171-Q375 PolarHBondContact NE2-NE2 2.92Å
172	E	84.8	Confident	93	Very high	37 Å²	37	9.6 Å²	9.6	17%	0.173	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-67.5	-20.4	171.8	-67.4	-158.5	-150.6	0	0	111.4	P101 R102 E169 A170 T174 T333	P101-E172 HydrophobicContact CB-CB 4.41Å; P101-E172 HydrophobicContact CG-CB 4.17Å; P101-E172 HydrophobicContact CG-CG 4.17Å; R102-E172 IonicContact CZ-OE1 2.83Å; R102-E172 IonicContact CZ-OE2 3.78Å; R102-E172 IonicContact NE-OE1 3.82Å; R102-E172 PolarHBondContact NE-OE1 2.95Å; R102-E172 IonicContact NE-OE2 3.86Å; R102-E172 PolarHBondContact NE-OE2 2.96Å; R102-E172 IonicContact NH2-OE1 3.02Å; R102-E172 IonicContact NH2-OE2 3.37Å; R102-E172 PolarHBondContact NH2-OE2 3.44Å; E169-E172 HydrophobicContact CB-CG 4.47Å; E169-E172 PolarHBondContact O-N 3.27Å; A170-E172 VanDerWaalsContact C-N 3.31Å; E172-T174 VanDerWaalsContact C-N 3.25Å; E172-T174 HydrophobicContact CB-CG2 4.21Å; E172-T174 PolarHBondContact O-N 3.02Å; E172-T333 PolarHBondContact OE1-OG1 3.31Å
173	R	89.3	Confident	92.8	Very high	21 Å²	21	10 Å²	10	8%	0.079	5%	0.049	C	C	.	.			trans	46.7	47.5	172.4	-63.6	-64.1	-58	-78.6	-3	112.6	A170 H171 D178 P406 E407 S435	A170-R173 WeakPolarHBondContact O-CD 3.3Å; A170-R173 PolarHBondContact O-N 3.09Å; H171-R173 PolarHBondContact O-N 3.2Å; R173-D178 IonicContact CZ-OD1 3.71Å; R173-D178 IonicContact CZ-OD2 3.4Å; R173-D178 IonicContact NE-OD1 3.2Å; R173-D178 PolarHBondContact NE-OD1 3.44Å; R173-D178 IonicContact NE-OD2 2.85Å; R173-D178 PolarHBondContact NE-OD2 3.13Å; R173-D178 IonicContact NH2-OD1 2.81Å; R173-D178 IonicContact NH2-OD2 3.14Å; R173-D178 PolarHBondContact NH2-OD2 3.33Å; R173-P406 HydrophobicContact CB-CB 3.99Å; R173-P406 HydrophobicContact CB-CG 4.26Å; R173-E407 PolarHBondContact O-N 3.45Å; R173-S435 VanDerWaalsContact NH2-CB 3.33Å; R173-S435 PolarHBondContact NH2-OG 3.04Å
174	T	90.3	Very high	92.8	Very high	16 Å²	16	9.5 Å²	9.5	10%	0.098	5%	0.046	C	C	.	.			trans	-70.2	159.8	176.3	82.1	0	0	0	0	110.5	P101 E172 H176 T177 D178 E407	P101-T174 HydrophobicContact CB-CG2 3.61Å; E172-T174 VanDerWaalsContact C-N 3.25Å; E172-T174 HydrophobicContact CB-CG2 4.21Å; E172-T174 PolarHBondContact O-N 3.02Å; T174-H176 VanDerWaalsContact C-N 3.27Å; T174-H176 PolarHBondContact O-N 3.16Å; T174-T177 PolarHBondContact O-N 3.47Å; T174-T177 PolarHBondContact OG1-N 3.29Å; T174-T177 PolarHBondContact OG1-OG1 2.57Å; T174-D178 PolarHBondContact O-N 2.75Å; T174-D178 VanDerWaalsContact O-N 3.07Å; T174-E407 WeakPolarHBondContact CA-OE2 3.44Å; T174-E407 WeakPolarHBondContact CB-OE2 3.33Å
175	V	90.4	Very high	92.7	Very high	14 Å²	14	11 Å²	11	9%	0.085	5%	0.052	C	C	.	.	H	α-helix	trans	-55.6	-45.7	179.5	-174	0	0	0	0	111.3	D178 V179 E407 I408 C411 L413 V416	V175-D178 PolarHBondContact O-N 3.42Å; V175-V179 HydrophobicContact CG1-CG2 4.48Å; V175-V179 WeakPolarHBondContact O-CG2 3.25Å; V175-V179 PolarHBondContact O-N 3.34Å; V175-V179 VanDerWaalsContact O-N 3.14Å; V175-E407 HydrophobicContact CG2-CB 3.54Å; V175-E407 PolarHBondContact N-OE2 2.81Å; V175-I408 HydrophobicContact CG1-CD1 3.67Å; V175-C411 HydrophobicContact CG2-CB 4.05Å; V175-L413 HydrophobicContact CG1-CD2 4.41Å; V175-V416 HydrophobicContact CB-CG2 4.48Å; V175-V416 HydrophobicContact CG1-CB 4.14Å; V175-V416 HydrophobicContact CG1-CG1 4.15Å; V175-V416 HydrophobicContact CG1-CG2 3.42Å; V175-V416 VanDerWaalsContact CG1-CG2 3.42Å
176	H	92.4	Very high	92.4	Very high	67 Å²	67	12.6 Å²	12.6	31%	0.31	6%	0.064	S	C	.	.	H	α-helix	trans	-68.5	-37.6	-179.3	-68.6	-55.5	0	0	0	112.5	D146 L150 T174 L180	D146-H176 HydrophobicContact CB-CB 3.79Å; L150-H176 HydrophobicContact CD1-CB 3.79Å; L150-H176 WeakPolarHBondContact CD1-ND1 3.4Å; L150-H176 WeakPolarHBondContact CD1-O 3.31Å; T174-H176 VanDerWaalsContact C-N 3.27Å; T174-H176 PolarHBondContact O-N 3.16Å; H176-L180 WeakPolarHBondContact O-CB 3.4Å; H176-L180 PolarHBondContact O-N 2.94Å
177	T	92.9	Very high	92.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.8	-48	176.7	-39.1	0	0	0	0	110.8	D146 T174 V179 L180 F181	D146-T177 WeakPolarHBondContact OD2-CB 3.25Å; D146-T177 PolarHBondContact OD2-OG1 2.83Å; T174-T177 PolarHBondContact O-N 3.47Å; T174-T177 PolarHBondContact OG1-N 3.29Å; T174-T177 PolarHBondContact OG1-OG1 2.57Å; T177-V179 PolarHBondContact O-N 2.71Å; T177-L180 WeakPolarHBondContact O-CB 3.37Å; T177-L180 PolarHBondContact O-N 3.02Å; T177-F181 HydrophobicContact CG2-CD1 4.46Å; T177-F181 HydrophobicContact CG2-CE1 3.58Å; T177-F181 HydrophobicContact CG2-CE2 4.32Å; T177-F181 HydrophobicContact CG2-CZ 3.49Å; T177-F181 VanDerWaalsContact CG2-CZ 3.49Å; T177-F181 VanDerWaalsContact O-CD1 3.27Å; T177-F181 WeakPolarHBondContact O-CD1 3.42Å; T177-F181 VanDerWaalsContact O-CG 3.32Å; T177-F181 WeakPolarHBondContact O-CG 3.41Å; T177-F181 PolarHBondContact O-N 2.65Å
178	D	91.8	Very high	92.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.7	-40.1	-178.2	-90.7	36.8	0	0	0	112.7	R173 T174 V175 L180 F181	R173-D178 IonicContact CZ-OD1 3.71Å; R173-D178 IonicContact CZ-OD2 3.4Å; R173-D178 IonicContact NE-OD1 3.2Å; R173-D178 PolarHBondContact NE-OD1 3.44Å; R173-D178 IonicContact NE-OD2 2.85Å; R173-D178 PolarHBondContact NE-OD2 3.13Å; R173-D178 IonicContact NH2-OD1 2.81Å; R173-D178 IonicContact NH2-OD2 3.14Å; R173-D178 PolarHBondContact NH2-OD2 3.33Å; T174-D178 PolarHBondContact O-N 2.75Å; T174-D178 VanDerWaalsContact O-N 3.07Å; V175-D178 PolarHBondContact O-N 3.42Å; D178-L180 VanDerWaalsContact C-N 3.34Å; D178-F181 WeakPolarHBondContact O-CB 3.43Å; D178-F181 PolarHBondContact O-N 3.26Å
179	V	92.5	Very high	92.1	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-64.6	-43.5	174.3	174.2	0	0	0	0	110.3	L150 V175 T177 F181 G182 V183 I408 V416 L420 F433	L150-V179 HydrophobicContact CD1-CB 4.12Å; L150-V179 HydrophobicContact CD1-CG1 4Å; L150-V179 HydrophobicContact CD2-CB 4.38Å; L150-V179 HydrophobicContact CD2-CG1 3.74Å; V175-V179 HydrophobicContact CG1-CG2 4.48Å; V175-V179 WeakPolarHBondContact O-CG2 3.25Å; V175-V179 PolarHBondContact O-N 3.34Å; V175-V179 VanDerWaalsContact O-N 3.14Å; T177-V179 PolarHBondContact O-N 2.71Å; V179-F181 PolarHBondContact O-N 2.93Å; V179-G182 PolarHBondContact O-N 3.05Å; V179-G182 VanDerWaalsContact O-N 3.16Å; V179-V183 HydrophobicContact CG1-CG2 4.31Å; V179-V183 WeakPolarHBondContact O-CG2 3.41Å; V179-V183 PolarHBondContact O-N 2.91Å; V179-V183 VanDerWaalsContact O-N 3.09Å; V179-I408 HydrophobicContact CG2-CD1 4.39Å; V179-V416 HydrophobicContact CB-CG1 4.46Å; V179-V416 HydrophobicContact CG1-CG1 4.46Å; V179-V416 HydrophobicContact CG2-CG1 3.27Å; V179-L420 HydrophobicContact CG1-CD2 3.73Å; V179-L420 HydrophobicContact CG1-CG 4.14Å; V179-F433 HydrophobicContact CG2-CE1 4.08Å
180	L	94.2	Very high	92.2	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.7	-33.3	-178.6	-176	62.2	0	0	0	111.8	T99 D146 L149 L150 L167 H176 T177 D178 G182 V183 V184	T99-L180 HydrophobicContact CG2-CD2 3.92Å; D146-L180 HydrophobicContact CB-CD2 4.32Å; L149-L180 HydrophobicContact CB-CD1 4.31Å; L149-L180 HydrophobicContact CB-CD2 4.36Å; L149-L180 HydrophobicContact CD2-CD1 3.92Å; L149-L180 HydrophobicContact CD2-CD2 4.01Å; L149-L180 HydrophobicContact CD2-CG 4.49Å; L149-L180 HydrophobicContact CG-CD1 3.95Å; L150-L180 HydrophobicContact CD2-CB 3.88Å; L150-L180 HydrophobicContact CD2-CD1 3.78Å; L150-L180 HydrophobicContact CD2-CG 4.44Å; L150-L180 HydrophobicContact CG-CB 4.13Å; L150-L180 HydrophobicContact CG-CD1 4.13Å; L167-L180 HydrophobicContact CD2-CD2 3.38Å; L167-L180 HydrophobicContact CD2-CG 3.75Å; H176-L180 WeakPolarHBondContact O-CB 3.4Å; H176-L180 PolarHBondContact O-N 2.94Å; T177-L180 WeakPolarHBondContact O-CB 3.37Å; T177-L180 PolarHBondContact O-N 3.02Å; D178-L180 VanDerWaalsContact C-N 3.34Å; L180-G182 PolarHBondContact O-N 3.48Å; L180-V183 PolarHBondContact O-N 3.18Å; L180-V184 HydrophobicContact CD1-CG1 3.97Å; L180-V184 HydrophobicContact CG-CG1 4.21Å; L180-V184 WeakPolarHBondContact O-CG1 3.47Å; L180-V184 WeakPolarHBondContact O-CG2 3.33Å; L180-V184 PolarHBondContact O-N 3.32Å
181	F	94.9	Very high	92.4	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-54.5	-49.1	172.8	-63.2	-20.6	0	0	0	112.6	L167 A170 T177 D178 V179 V184 K185 F213 Y216 F217 M434	L167-F181 HydrophobicContact CB-CE1 4.15Å; L167-F181 HydrophobicContact CD1-CD1 3.53Å; L167-F181 HydrophobicContact CD1-CE1 3.76Å; L167-F181 HydrophobicContact CG-CD1 4.47Å; L167-F181 HydrophobicContact CG-CE1 4.39Å; A170-F181 HydrophobicContact CB-CE1 4.45Å; A170-F181 HydrophobicContact CB-CZ 3.96Å; T177-F181 HydrophobicContact CG2-CD1 4.46Å; T177-F181 HydrophobicContact CG2-CE1 3.58Å; T177-F181 HydrophobicContact CG2-CE2 4.32Å; T177-F181 HydrophobicContact CG2-CZ 3.49Å; T177-F181 VanDerWaalsContact CG2-CZ 3.49Å; T177-F181 VanDerWaalsContact O-CD1 3.27Å; T177-F181 WeakPolarHBondContact O-CD1 3.42Å; T177-F181 VanDerWaalsContact O-CG 3.32Å; T177-F181 WeakPolarHBondContact O-CG 3.41Å; T177-F181 PolarHBondContact O-N 2.65Å; D178-F181 WeakPolarHBondContact O-CB 3.43Å; D178-F181 PolarHBondContact O-N 3.26Å; V179-F181 PolarHBondContact O-N 2.93Å; F181-V184 VanDerWaalsContact O-CG2 3.27Å; F181-V184 WeakPolarHBondContact O-CG2 3.3Å; F181-K185 WeakPolarHBondContact O-CG 3.32Å; F181-K185 PolarHBondContact O-N 2.96Å; F181-K185 VanDerWaalsContact O-N 3.15Å; F181-F213 AromaticContact CE2-CE1 3.85Å; F181-F213 HydrophobicContact CE2-CE1 3.85Å; F181-F213 AromaticContact CZ-CE1 3.79Å; F181-F213 HydrophobicContact CZ-CE1 3.79Å; F181-Y216 HydrophobicContact CB-CE1 3.64Å; F181-Y216 HydrophobicContact CG-CE1 4.45Å; F181-F217 HydrophobicContact CB-CZ 3.95Å; F181-F217 HydrophobicContact CD1-CE2 4.31Å; F181-F217 AromaticContact CD1-CZ 3.85Å; F181-F217 HydrophobicContact CD1-CZ 3.85Å; F181-F217 HydrophobicContact CG-CE2 4.33Å; F181-F217 AromaticContact CG-CZ 3.97Å; F181-F217 HydrophobicContact CG-CZ 3.97Å; F181-M434 HydrophobicContact CD2-CB 4.13Å; F181-M434 HydrophobicContact CD2-SD 3.75Å; F181-M434 HydrophobicContact CE2-SD 3.57Å; F181-M434 VanDerWaalsContact CE2-SD 3.57Å
182	G	93.5	Very high	92.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-70.5	-34.5	178.6	0	0	0	0	0	112.8	V179 L180 S186 Y216 F431	V179-G182 PolarHBondContact O-N 3.05Å; V179-G182 VanDerWaalsContact O-N 3.16Å; L180-G182 PolarHBondContact O-N 3.48Å; G182-S186 WeakPolarHBondContact O-CB 3.48Å; G182-S186 PolarHBondContact O-N 3.23Å; G182-S186 PolarHBondContact O-OG 2.87Å; G182-Y216 WeakPolarHBondContact CA-OH 3.27Å; G182-Y216 PolarHBondContact N-OH 3.1Å; G182-F431 VanDerWaalsContact CA-CZ 3.49Å
183	V	93.6	Very high	93.3	Very high	7 Å²	7	38 Å²	38	4%	0.042	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-47.2	176.2	172.7	0	0	0	0	111.2	L150 A153 V179 L180 K185 S186 A187 L423 F431	L150-V183 HydrophobicContact CD2-CB 4.29Å; L150-V183 HydrophobicContact CD2-CG2 3.87Å; A153-V183 HydrophobicContact CB-CG1 3.83Å; V179-V183 HydrophobicContact CG1-CG2 4.31Å; V179-V183 WeakPolarHBondContact O-CG2 3.41Å; V179-V183 PolarHBondContact O-N 2.91Å; V179-V183 VanDerWaalsContact O-N 3.09Å; L180-V183 PolarHBondContact O-N 3.18Å; V183-K185 PolarHBondContact O-N 3.02Å; V183-S186 PolarHBondContact O-N 2.98Å; V183-A187 WeakPolarHBondContact O-CB 3.39Å; V183-A187 PolarHBondContact O-N 3.42Å; V183-L423 HydrophobicContact CG2-CD1 3.7Å; V183-F431 HydrophobicContact CG2-CZ 4.33Å
184	V	95.6	Very high	93.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-36.5	179.3	-60.6	0	0	0	0	112	L159 V165 L167 L180 F181 A187 Q188 V201 F217	L159-V184 HydrophobicContact CD1-CG1 4.02Å; V165-V184 HydrophobicContact CG1-CG1 4.17Å; L167-V184 HydrophobicContact CD1-CG2 4.05Å; L180-V184 HydrophobicContact CD1-CG1 3.97Å; L180-V184 HydrophobicContact CG-CG1 4.21Å; L180-V184 WeakPolarHBondContact O-CG1 3.47Å; L180-V184 WeakPolarHBondContact O-CG2 3.33Å; L180-V184 PolarHBondContact O-N 3.32Å; F181-V184 VanDerWaalsContact O-CG2 3.27Å; F181-V184 WeakPolarHBondContact O-CG2 3.3Å; V184-A187 PolarHBondContact O-N 3.36Å; V184-Q188 WeakPolarHBondContact O-CG 3.37Å; V184-Q188 PolarHBondContact O-N 3.3Å; V184-V201 HydrophobicContact CB-CG2 4.14Å; V184-V201 HydrophobicContact CG2-CG1 4.21Å; V184-V201 HydrophobicContact CG2-CG2 4.1Å; V184-F217 HydrophobicContact CG2-CE1 4.27Å
185	K	94.1	Very high	93.7	Very high	30 Å²	30	47 Å²	47	13%	0.13	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-43.5	173.1	-77.9	178.7	68.7	-174.5	0	111.4	F181 V183 Q188 R189 Y216 F217 D432	F181-K185 WeakPolarHBondContact O-CG 3.32Å; F181-K185 PolarHBondContact O-N 2.96Å; F181-K185 VanDerWaalsContact O-N 3.15Å; V183-K185 PolarHBondContact O-N 3.02Å; K185-Q188 PolarHBondContact O-N 3.03Å; K185-R189 PolarHBondContact O-N 2.85Å; K185-Y216 HydrophobicContact CD-CD1 4.05Å; K185-Y216 HydrophobicContact CD-CE1 3.35Å; K185-Y216 WeakPolarHBondContact CE-O 3.35Å; K185-Y216 HydrophobicContact CG-CE1 4.47Å; K185-Y216 PolarHBondContact NZ-O 3.19Å; K185-F217 HydrophobicContact CD-CD1 4.13Å; K185-F217 HydrophobicContact CD-CE1 4.14Å; K185-F217 HydrophobicContact CG-CD1 4.01Å; K185-F217 HydrophobicContact CG-CE1 3.88Å; K185-D432 VanDerWaalsContact CE-OD2 3.24Å; K185-D432 WeakPolarHBondContact CE-OD2 3.28Å; K185-D432 IonicContact NZ-OD1 3.82Å; K185-D432 IonicContact NZ-OD2 2.61Å; K185-D432 PolarHBondContact NZ-OD2 2.87Å
186	S	92.5	Very high	93.9	Very high	35 Å²	35	51.3 Å²	51.3	25%	0.245	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-43	176.4	-62.6	0	0	0	0	111.5	G182 V183 R189 R190	G182-S186 WeakPolarHBondContact O-CB 3.48Å; G182-S186 PolarHBondContact O-N 3.23Å; G182-S186 PolarHBondContact O-OG 2.87Å; V183-S186 PolarHBondContact O-N 2.98Å; S186-R189 PolarHBondContact O-N 2.88Å; S186-R190 WeakPolarHBondContact O-CB 3.22Å; S186-R190 PolarHBondContact O-N 2.96Å
187	A	94.4	Very high	93.8	Very high	1 Å²	1	52 Å²	52	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-43.7	174.6	0	0	0	0	0	112.1	V183 V184 R190 R191 L199	V183-A187 WeakPolarHBondContact O-CB 3.39Å; V183-A187 PolarHBondContact O-N 3.42Å; V184-A187 PolarHBondContact O-N 3.36Å; A187-R190 PolarHBondContact O-N 3.36Å; A187-R191 WeakPolarHBondContact O-CB 3.48Å; A187-R191 VanDerWaalsContact O-CG 3.24Å; A187-R191 WeakPolarHBondContact O-CG 3.38Å; A187-R191 PolarHBondContact O-N 3.47Å; A187-L199 HydrophobicContact CB-CD2 4.22Å
188	Q	94.8	Very high	93.8	Very high	30 Å²	30	55.9 Å²	55.9	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-48.7	175	-78.9	-174	-48.8	0	0	112.2	N66 V184 K185 R192 L199 V201	N66-Q188 PolarHBondContact OD1-NE2 3.42Å; N66-Q188 PolarHBondContact OD1-OE1 2.84Å; V184-Q188 WeakPolarHBondContact O-CG 3.37Å; V184-Q188 PolarHBondContact O-N 3.3Å; K185-Q188 PolarHBondContact O-N 3.03Å; Q188-R192 PolarHBondContact O-N 3.18Å; Q188-R192 VanDerWaalsContact O-N 3.1Å; Q188-L199 HydrophobicContact CG-CB 3.95Å; Q188-L199 HydrophobicContact CG-CD2 4.26Å; Q188-L199 HydrophobicContact CG-CG 4.31Å; Q188-L199 PolarHBondContact NE2-O 2.87Å; Q188-V201 HydrophobicContact CG-CG2 4.16Å
189	R	93.3	Very high	94	Very high	156 Å²	156	56 Å²	56	59%	0.589	26%	0.26	S	S	*	.	H	α-helix	trans	-59.4	-50.8	177.8	-176.4	-178.2	64.7	-142.7	-5.3	110.7	K185 S186 R191 R192 E193	K185-R189 PolarHBondContact O-N 2.85Å; S186-R189 PolarHBondContact O-N 2.88Å; R189-R191 PolarHBondContact O-N 3.17Å; R189-R192 WeakPolarHBondContact O-CB 3.39Å; R189-R192 PolarHBondContact O-N 3.15Å; R189-R192 VanDerWaalsContact O-N 3.14Å; R189-E193 WeakPolarHBondContact CG-OE1 3.4Å; R189-E193 IonicContact NE-OE1 2.89Å; R189-E193 WeakPolarHBondContact O-CG 3.14Å; R189-E193 PolarHBondContact O-N 3.08Å
190	R	93.8	Very high	94.1	Very high	126 Å²	126	58.1 Å²	58.1	48%	0.475	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-38.6	-177.2	-168.9	56.5	170.9	172.3	0.8	113	M158 S186 A187 R192 E193 L194	M158-R190 HydrophobicContact CG-CB 4.39Å; M158-R190 HydrophobicContact CG-CG 4.04Å; M158-R190 HydrophobicContact SD-CG 4.05Å; S186-R190 WeakPolarHBondContact O-CB 3.22Å; S186-R190 PolarHBondContact O-N 2.96Å; A187-R190 PolarHBondContact O-N 3.36Å; R190-R192 VanDerWaalsContact C-N 3.33Å; R190-R192 PolarHBondContact O-N 3.09Å; R190-E193 VanDerWaalsContact CD-OE2 3.26Å; R190-E193 WeakPolarHBondContact CD-OE2 3.17Å; R190-E193 IonicContact CZ-OE2 3.81Å; R190-E193 IonicContact NE-OE2 3.88Å; R190-E193 IonicContact NH1-OE2 2.84Å; R190-E193 PolarHBondContact NH1-OE2 2.9Å; R190-E193 PolarHBondContact O-N 3.35Å; R190-L194 HydrophobicContact CG-CD1 4.04Å; R190-L194 WeakPolarHBondContact O-CB 3.35Å; R190-L194 WeakPolarHBondContact O-CG 3.5Å; R190-L194 PolarHBondContact O-N 3.44Å
191	R	95.6	Very high	94.2	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-40.4	173.5	-77	177.4	176.6	-153.5	18.1	112.3	M158 L159 L160 Y162 A187 R189 L194 N195 K196 I197	M158-R191 HydrophobicContact CB-CG 4.4Å; M158-R191 PolarHBondContact O-NE 2.69Å; M158-R191 PolarHBondContact O-NH2 3.35Å; L159-R191 PolarHBondContact O-NH2 2.84Å; L160-R191 HydrophobicContact CD2-CG 4.46Å; Y162-R191 PolarHBondContact O-NH1 2.83Å; Y162-R191 PolarHBondContact O-NH2 2.88Å; A187-R191 WeakPolarHBondContact O-CB 3.48Å; A187-R191 VanDerWaalsContact O-CG 3.24Å; A187-R191 WeakPolarHBondContact O-CG 3.38Å; A187-R191 PolarHBondContact O-N 3.47Å; R189-R191 PolarHBondContact O-N 3.17Å; R191-L194 CarbonylContact O-C 3.45Å; R191-L194 PolarHBondContact O-N 3.24Å; R191-N195 PolarHBondContact O-N 3.12Å; R191-N195 VanDerWaalsContact O-N 3.09Å; R191-K196 HydrophobicContact CB-CB 4.08Å; R191-K196 HydrophobicContact CG-CB 4.07Å; R191-K196 PolarHBondContact O-N 2.91Å; R191-I197 WeakPolarHBondContact CD-O 3.24Å; R191-I197 PolarHBondContact NH1-O 3.05Å
192	R	94.2	Very high	94.3	Very high	190 Å²	190	58.2 Å²	58.2	72%	0.717	27%	0.268	S	S	*	.	H	α-helix	trans	-63.9	-47	176.5	-177.9	-177.5	-77.3	178.9	-5.2	111	Q188 R189 R190 L194 N195	Q188-R192 PolarHBondContact O-N 3.18Å; Q188-R192 VanDerWaalsContact O-N 3.1Å; R189-R192 WeakPolarHBondContact O-CB 3.39Å; R189-R192 PolarHBondContact O-N 3.15Å; R189-R192 VanDerWaalsContact O-N 3.14Å; R190-R192 VanDerWaalsContact C-N 3.33Å; R190-R192 PolarHBondContact O-N 3.09Å; R192-L194 VanDerWaalsContact C-N 3.27Å; R192-L194 PolarHBondContact O-N 3.48Å; R192-N195 PolarHBondContact O-N 3.44Å
193	E	95.1	Very high	94.4	Very high	101 Å²	101	58.2 Å²	58.2	47%	0.472	27%	0.268	S	S	.	.	H	α-helix	trans	-58	-38.9	176.6	-70	167	-169.5	0	0	112.6	R189 R190	R189-E193 WeakPolarHBondContact CG-OE1 3.4Å; R189-E193 IonicContact NE-OE1 2.89Å; R189-E193 WeakPolarHBondContact O-CG 3.14Å; R189-E193 PolarHBondContact O-N 3.08Å; R190-E193 VanDerWaalsContact CD-OE2 3.26Å; R190-E193 WeakPolarHBondContact CD-OE2 3.17Å; R190-E193 IonicContact CZ-OE2 3.81Å; R190-E193 IonicContact NE-OE2 3.88Å; R190-E193 IonicContact NH1-OE2 2.84Å; R190-E193 PolarHBondContact NH1-OE2 2.9Å; R190-E193 PolarHBondContact O-N 3.35Å
194	L	95.4	Very high	94.4	Very high	74 Å²	74	57.9 Å²	57.9	39%	0.387	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	12.3	-176.7	-61.9	178.4	0	0	0	114	M158 R190 R191 R192 K196	M158-L194 HydrophobicContact CE-CD1 4.42Å; M158-L194 HydrophobicContact SD-CD1 3.77Å; R190-L194 HydrophobicContact CG-CD1 4.04Å; R190-L194 WeakPolarHBondContact O-CB 3.35Å; R190-L194 WeakPolarHBondContact O-CG 3.5Å; R190-L194 PolarHBondContact O-N 3.44Å; R191-L194 CarbonylContact O-C 3.45Å; R191-L194 PolarHBondContact O-N 3.24Å; R192-L194 VanDerWaalsContact C-N 3.27Å; R192-L194 PolarHBondContact O-N 3.48Å; L194-K196 HydrophobicContact CB-CG 4.06Å; L194-K196 PolarHBondContact O-N 3.46Å; L194-K196 VanDerWaalsContact O-N 3.15Å
195	N	93.3	Very high	94.1	Very high	153 Å²	153	58 Å²	58	82%	0.818	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	40	-178.1	-67.8	-44.9	0	0	0	114	R191 R192	R191-N195 PolarHBondContact O-N 3.12Å; R191-N195 VanDerWaalsContact O-N 3.09Å; R192-N195 PolarHBondContact O-N 3.44Å
196	K	93.9	Very high	93.4	Very high	104 Å²	104	57.4 Å²	57.4	45%	0.452	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-87.2	166.8	174.3	-59.9	-60.5	-177.3	-177.8	0	110.9	L160 R191 L194 P198	L160-K196 HydrophobicContact CD2-CB 4.38Å; L160-K196 HydrophobicContact CD2-CG 4.4Å; R191-K196 HydrophobicContact CB-CB 4.08Å; R191-K196 HydrophobicContact CG-CB 4.07Å; R191-K196 PolarHBondContact O-N 2.91Å; L194-K196 HydrophobicContact CB-CG 4.06Å; L194-K196 PolarHBondContact O-N 3.46Å; L194-K196 VanDerWaalsContact O-N 3.15Å; K196-P198 WeakPolarHBondContact O-CD 3.37Å; K196-P198 VanDerWaalsContact O-N 3.15Å
197	I	91.3	Very high	92.3	Very high	82 Å²	82	56.9 Å²	56.9	42%	0.421	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-53.9	120.5	175.5	-62.7	171.5	0	0	0	109.4	Q93 T163 R191 L199	Q93-I197 HydrophobicContact CB-CD1 4.29Å; T163-I197 HydrophobicContact CG2-CG2 4.2Å; R191-I197 WeakPolarHBondContact CD-O 3.24Å; R191-I197 PolarHBondContact NH1-O 3.05Å; I197-L199 PolarHBondContact O-N 3.25Å
198	P	91.8	Very high	90.6	Very high	81 Å²	81	59.5 Å²	59.5	53%	0.526	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-57.7	136.3	-177.4	-26.3	34.4	0	0	0	112.3	K196	K196-P198 WeakPolarHBondContact O-CD 3.37Å; K196-P198 VanDerWaalsContact O-N 3.15Å
199	L	95.7	Very high	89.3	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.021	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-85.5	124	171	-178.8	62.7	0	0	0	109	L159 V165 A187 Q188 I197 V201	L159-L199 HydrophobicContact CD1-CD2 4.33Å; V165-L199 HydrophobicContact CG2-CD1 3.96Å; V165-L199 HydrophobicContact CG2-CD2 4.47Å; A187-L199 HydrophobicContact CB-CD2 4.22Å; Q188-L199 HydrophobicContact CG-CB 3.95Å; Q188-L199 HydrophobicContact CG-CD2 4.26Å; Q188-L199 HydrophobicContact CG-CG 4.31Å; Q188-L199 PolarHBondContact NE2-O 2.87Å; I197-L199 PolarHBondContact O-N 3.25Å; L199-V201 HydrophobicContact CD2-CG2 4.47Å; L199-V201 HydrophobicContact CG-CG2 4.35Å
200	R	95.6	Very high	88.3	Confident	44 Å²	44	53.5 Å²	53.5	17%	0.166	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	135.2	170.7	179.6	178.3	-76.5	108	-6.9	109.9	L61 R62 L64 H65 T163 V164 V165 I202	L61-R200 PolarHBondContact O-NE 3.23Å; L61-R200 PolarHBondContact O-NH2 3.18Å; R62-R200 PolarHBondContact O-NH2 3.27Å; L64-R200 PolarHBondContact O-NE 3.41Å; L64-R200 PolarHBondContact O-NH2 2.83Å; H65-R200 CarbonylContact O-C 3.55Å; H65-R200 VanDerWaalsContact O-CA 3.28Å; H65-R200 WeakPolarHBondContact O-CA 2.99Å; H65-R200 WeakPolarHBondContact O-CG 3.29Å; T163-R200 PolarHBondContact O-N 3.16Å; V164-R200 CarbonylContact C-O 3.35Å; V164-R200 WeakPolarHBondContact CA-O 3.36Å; V164-R200 HydrophobicContact CG1-CB 4.37Å; V164-R200 HydrophobicContact CG1-CG 4.37Å; V164-R200 HydrophobicContact CG2-CB 4.23Å; V165-R200 PolarHBondContact N-O 3.38Å; R200-I202 HydrophobicContact CG-CG1 4.41Å
201	V	96.6	Very high	87.7	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.4	178.2	178.5	0	0	0	0	109.8	H65 N66 A67 V165 L167 V184 Q188 L199 V203 F217	H65-V201 PolarHBondContact O-N 3.28Å; N66-V201 VanDerWaalsContact CA-O 3.25Å; N66-V201 WeakPolarHBondContact CA-O 3.46Å; A67-V201 PolarHBondContact N-O 3.28Å; A67-V201 VanDerWaalsContact N-O 3.11Å; V165-V201 WeakPolarHBondContact O-CA 3.45Å; L167-V201 HydrophobicContact CD1-CG1 3.77Å; V184-V201 HydrophobicContact CB-CG2 4.14Å; V184-V201 HydrophobicContact CG2-CG1 4.21Å; V184-V201 HydrophobicContact CG2-CG2 4.1Å; Q188-V201 HydrophobicContact CG-CG2 4.16Å; L199-V201 HydrophobicContact CD2-CG2 4.47Å; L199-V201 HydrophobicContact CG-CG2 4.35Å; V201-V203 HydrophobicContact CG1-CG2 4.24Å; V201-F217 HydrophobicContact CG1-CE1 4.11Å
202	I	96.7	Very high	87.3	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.9	176	-61.5	168.7	0	0	0	107.5	L61 A67 V69 L85 V164 V165 V166 L167 R200 M204	L61-I202 HydrophobicContact CD1-CD1 4.11Å; L61-I202 HydrophobicContact CD2-CD1 4.02Å; L61-I202 HydrophobicContact CD2-CG1 4.21Å; A67-I202 WeakPolarHBondContact O-CA 3.3Å; V69-I202 HydrophobicContact CG2-CG2 3.78Å; L85-I202 HydrophobicContact CD1-CD1 3.66Å; L85-I202 HydrophobicContact CD2-CD1 3.95Å; L85-I202 HydrophobicContact CG-CD1 4.4Å; V164-I202 HydrophobicContact CG1-CD1 4.08Å; V165-I202 PolarHBondContact O-N 3.49Å; V166-I202 CarbonylContact C-O 3.57Å; V166-I202 VanDerWaalsContact CA-O 3.28Å; V166-I202 WeakPolarHBondContact CA-O 3.3Å; V166-I202 HydrophobicContact CG1-CB 4.5Å; V166-I202 HydrophobicContact CG1-CG2 4.49Å; V166-I202 HydrophobicContact CG2-CB 4.32Å; V166-I202 HydrophobicContact CG2-CD1 4.45Å; L167-I202 PolarHBondContact N-O 3.35Å; R200-I202 HydrophobicContact CG-CG1 4.41Å; I202-M204 HydrophobicContact CG2-CG 3.94Å
203	V	95.6	Very high	87	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.2	177	-174.5	0	0	0	0	107.9	A67 I68 V69 L167 A170 V201 F213 F217	A67-V203 PolarHBondContact O-N 2.77Å; I68-V203 CarbonylContact C-O 3.57Å; I68-V203 WeakPolarHBondContact CA-O 3.4Å; I68-V203 HydrophobicContact CD1-CB 3.66Å; I68-V203 HydrophobicContact CD1-CG1 4.41Å; I68-V203 HydrophobicContact CD1-CG2 3.82Å; V69-V203 PolarHBondContact N-O 3.21Å; L167-V203 HydrophobicContact CD1-CG2 4.06Å; L167-V203 WeakPolarHBondContact O-CA 3.15Å; A170-V203 HydrophobicContact CB-CG1 3.53Å; V201-V203 HydrophobicContact CG1-CG2 4.24Å; V203-F213 HydrophobicContact CG1-CD1 3.89Å; V203-F213 HydrophobicContact CG1-CE1 4.22Å; V203-F213 HydrophobicContact CG1-CG 4.42Å; V203-F217 HydrophobicContact CG2-CD2 3.82Å; V203-F217 HydrophobicContact CG2-CE1 4.35Å; V203-F217 HydrophobicContact CG2-CE2 3.48Å; V203-F217 VanDerWaalsContact CG2-CE2 3.48Å; V203-F217 HydrophobicContact CG2-CG 4.42Å; V203-F217 HydrophobicContact CG2-CZ 3.77Å
204	M	93.8	Very high	86.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.2	179.9	-53.7	-167.1	-55.5	0	0	110.4	V69 K77 I81 V166 L167 D168 E169 A170 I202	V69-M204 HydrophobicContact CB-CG 4.21Å; V69-M204 VanDerWaalsContact O-CA 3.3Å; V69-M204 WeakPolarHBondContact O-CA 3.34Å; K77-M204 HydrophobicContact CB-SD 4.13Å; I81-M204 HydrophobicContact CB-SD 4.17Å; I81-M204 HydrophobicContact CD1-SD 3.44Å; I81-M204 WeakPolarHBondContact CD1-SD 3.36Å; I81-M204 HydrophobicContact CG1-SD 4.36Å; I81-M204 HydrophobicContact CG2-SD 4.25Å; V166-M204 HydrophobicContact CG1-CE 3.31Å; V166-M204 HydrophobicContact CG1-CG 3.9Å; V166-M204 HydrophobicContact CG1-SD 3.7Å; L167-M204 PolarHBondContact O-N 2.58Å; D168-M204 HydrophobicContact CB-CB 4.49Å; D168-M204 HydrophobicContact CB-CE 3.62Å; D168-M204 VanDerWaalsContact OD1-CB 3.25Å; D168-M204 WeakPolarHBondContact OD1-CB 3.29Å; D168-M204 VanDerWaalsContact OD1-CE 3.26Å; D168-M204 WeakPolarHBondContact OD1-CE 3.1Å; D168-M204 WeakPolarHBondContact OD2-CE 3.11Å; E169-M204 PolarHBondContact N-O 3.19Å; A170-M204 WeakPolarHBondContact CB-O 3.46Å; A170-M204 PolarHBondContact N-O 3.46Å; I202-M204 HydrophobicContact CG2-CG 3.94Å
205	S	88.7	Confident	86.7	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.014	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.4	-178.8	-176.3	0	0	0	0	111.8	V69 I70 G71 H171 T207	V69-S205 PolarHBondContact O-N 3.4Å; I70-S205 WeakPolarHBondContact CA-O 3.32Å; G71-S205 PolarHBondContact N-O 3.28Å; G71-S205 VanDerWaalsContact N-O 3.16Å; H171-S205 WeakPolarHBondContact CB-OG 3.29Å; S205-T207 PolarHBondContact OG-N 3.2Å; S205-T207 VanDerWaalsContact OG-N 3.13Å; S205-T207 PolarHBondContact OG-OG1 3.35Å
206	A	79.9	Confident	86.6	Confident	18 Å²	18	36 Å²	36	15%	0.149	19%	0.185	C	C	.	.	S	Bend	trans	-99.8	-10.8	170.8	0	0	0	0	0	112.9	G71 H171	G71-A206 WeakPolarHBondContact O-CA 3.36Å; H171-A206 PolarHBondContact ND1-N 3.16Å
207	T	69.7	Low	86.5	Confident	23 Å²	23	31.1 Å²	31.1	14%	0.141	16%	0.164	C	C	.	.	S	Bend	trans	-104.6	160.6	-176.9	65.3	0	0	0	0	112.2	H171 S205	H171-T207 HydrophobicContact CB-CG2 3.6Å; H171-T207 VanDerWaalsContact CB-OG1 3.22Å; H171-T207 WeakPolarHBondContact CB-OG1 3.23Å; S205-T207 PolarHBondContact OG-N 3.2Å; S205-T207 VanDerWaalsContact OG-N 3.13Å; S205-T207 PolarHBondContact OG-OG1 3.35Å
208	M	57.2	Low	86.5	Confident	57 Å²	57	32.9 Å²	32.9	28%	0.281	18%	0.175	S	C	.	.	S	Bend	trans	-89.9	13.4	-177.5	-70.2	104.9	37.4	0	0	115.7	P9 A10 F13 V210	P9-M208 VanDerWaalsContact CA-CE 3.42Å; P9-M208 HydrophobicContact CB-CE 3.22Å; P9-M208 HydrophobicContact CG-CE 3.21Å; A10-M208 WeakPolarHBondContact CA-SD 3.15Å; A10-M208 HydrophobicContact CB-CG 4.13Å; A10-M208 HydrophobicContact CB-SD 3.59Å; A10-M208 VanDerWaalsContact CB-SD 3.59Å; A10-M208 PolarHBondContact N-SD 2.96Å; F13-M208 HydrophobicContact CZ-CB 4.42Å; F13-M208 HydrophobicContact CZ-CG 4.18Å; M208-V210 WeakPolarHBondContact O-CG2 3.42Å; M208-V210 PolarHBondContact O-N 3.37Å
209	D	67.4	Low	86.4	Confident	56 Å²	56	36 Å²	36	30%	0.299	18%	0.18	S	C	.	.			trans	-78.7	52	171.7	-159.6	-2.6	0	0	0	110.9	L212 F213 T403	D209-L212 WeakPolarHBondContact OD1-CB 3.25Å; D209-F213 WeakPolarHBondContact O-CD2 3.47Å; D209-T403 HydrophobicContact CB-CG2 4.48Å
210	V	72.8	Confident	86.2	Confident	3 Å²	3	36 Å²	36	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-74.4	-36.7	-170.4	-167.5	0	0	0	0	110.7	F13 I68 I70 M208 L212 F213 S214 V222	F13-V210 HydrophobicContact CE1-CG2 4.03Å; F13-V210 HydrophobicContact CZ-CG2 4.39Å; I68-V210 HydrophobicContact CG2-CG1 4Å; I70-V210 HydrophobicContact CD1-CB 3.99Å; I70-V210 HydrophobicContact CD1-CG1 3.59Å; I70-V210 HydrophobicContact CD1-CG2 3.14Å; I70-V210 HydrophobicContact CG1-CG1 4.25Å; I70-V210 HydrophobicContact CG1-CG2 3.91Å; M208-V210 WeakPolarHBondContact O-CG2 3.42Å; M208-V210 PolarHBondContact O-N 3.37Å; V210-L212 PolarHBondContact O-N 2.97Å; V210-F213 PolarHBondContact O-N 3.23Å; V210-F213 VanDerWaalsContact O-N 3.13Å; V210-S214 WeakPolarHBondContact O-CB 3.2Å; V210-S214 PolarHBondContact O-N 3.17Å; V210-V222 HydrophobicContact CG1-CB 4.06Å; V210-V222 HydrophobicContact CG1-CG1 3.53Å; V210-V222 HydrophobicContact CG1-CG2 3.33Å
211	D	81.8	Confident	86	Confident	59 Å²	59	35.4 Å²	35.4	32%	0.316	18%	0.182	S	C	.	.	H	α-helix	trans	-60	-40.6	-176.7	-66	-26.5	0	0	0	109.8	S214 E215	D211-S214 PolarHBondContact O-N 3.41Å; D211-E215 VanDerWaalsContact O-CB 3.22Å; D211-E215 WeakPolarHBondContact O-CB 3.42Å; D211-E215 PolarHBondContact O-N 3.19Å
212	L	86	Confident	85.7	Confident	62 Å²	62	35.6 Å²	35.6	33%	0.325	18%	0.183	S	C	.	.	H	α-helix	trans	-62.9	-44.8	176.6	-167.7	67.2	0	0	0	111.8	D209 V210 Y216 M434	D209-L212 WeakPolarHBondContact OD1-CB 3.25Å; V210-L212 PolarHBondContact O-N 2.97Å; L212-Y216 WeakPolarHBondContact O-CB 3.27Å; L212-Y216 PolarHBondContact O-N 3.18Å; L212-M434 HydrophobicContact CB-CE 3.86Å; L212-M434 HydrophobicContact CD2-CE 3.52Å; L212-M434 HydrophobicContact CG-CE 3.36Å; L212-M434 HydrophobicContact CG-CG 4.4Å
213	F	89.4	Confident	85.4	Confident	5 Å²	5	35.6 Å²	35.6	2%	0.022	18%	0.183	C	C	.	.	H	α-helix	trans	-67.5	-44.9	176.1	-70.8	-71.3	0	0	0	112.1	I68 A170 F181 V203 D209 V210 Y216 F217 M434	I68-F213 HydrophobicContact CD1-CB 3.95Å; I68-F213 HydrophobicContact CG1-CB 4.3Å; I68-F213 HydrophobicContact CG2-CB 4.22Å; A170-F213 HydrophobicContact CB-CE1 3.77Å; A170-F213 HydrophobicContact CB-CZ 3.84Å; A170-F213 WeakPolarHBondContact O-CZ 3.49Å; F181-F213 AromaticContact CE2-CE1 3.85Å; F181-F213 HydrophobicContact CE2-CE1 3.85Å; F181-F213 AromaticContact CZ-CE1 3.79Å; F181-F213 HydrophobicContact CZ-CE1 3.79Å; V203-F213 HydrophobicContact CG1-CD1 3.89Å; V203-F213 HydrophobicContact CG1-CE1 4.22Å; V203-F213 HydrophobicContact CG1-CG 4.42Å; D209-F213 WeakPolarHBondContact O-CD2 3.47Å; V210-F213 PolarHBondContact O-N 3.23Å; V210-F213 VanDerWaalsContact O-N 3.13Å; F213-Y216 PolarHBondContact O-N 3.23Å; F213-F217 WeakPolarHBondContact O-CB 2.9Å; F213-F217 VanDerWaalsContact O-CD2 3.3Å; F213-F217 WeakPolarHBondContact O-CD2 3.13Å; F213-F217 PolarHBondContact O-N 2.58Å; F213-M434 HydrophobicContact CB-CE 4.34Å; F213-M434 HydrophobicContact CD1-CE 3.33Å; F213-M434 HydrophobicContact CD1-SD 3.76Å; F213-M434 HydrophobicContact CD2-CE 4.14Å; F213-M434 HydrophobicContact CE1-CE 3.46Å; F213-M434 VanDerWaalsContact CE1-CE 3.46Å; F213-M434 HydrophobicContact CE1-SD 3.62Å; F213-M434 HydrophobicContact CE2-CE 4.24Å; F213-M434 HydrophobicContact CG-CE 3.68Å; F213-M434 HydrophobicContact CZ-CE 3.92Å; F213-M434 HydrophobicContact CZ-SD 4.43Å
214	S	90.9	Very high	85	Confident	13 Å²	13	36.8 Å²	36.8	9%	0.091	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-51.5	-179.6	-178	0	0	0	0	110.1	V210 D211 F217 N218 K219 S220	V210-S214 WeakPolarHBondContact O-CB 3.2Å; V210-S214 PolarHBondContact O-N 3.17Å; D211-S214 PolarHBondContact O-N 3.41Å; S214-F217 CarbonylContact O-C 3.56Å; S214-F217 PolarHBondContact O-N 2.66Å; S214-N218 PolarHBondContact O-N 3.04Å; S214-K219 CarbonylContact O-C 3.59Å; S214-K219 WeakPolarHBondContact O-CA 3.47Å; S214-K219 PolarHBondContact O-N 2.91Å; S214-S220 PolarHBondContact O-N 3.09Å; S214-S220 VanDerWaalsContact O-N 3.08Å; S214-S220 PolarHBondContact OG-N 3.49Å; S214-S220 PolarHBondContact OG-O 2.69Å
215	E	91.6	Very high	84.3	Confident	117 Å²	117	37.1 Å²	37.1	55%	0.547	19%	0.189	S	C	.	.	H	α-helix	trans	-60.6	-48.6	178.6	-168.7	61.8	-145	0	0	110.9	D211 F217 N218 K219	D211-E215 VanDerWaalsContact O-CB 3.22Å; D211-E215 WeakPolarHBondContact O-CB 3.42Å; D211-E215 PolarHBondContact O-N 3.19Å; E215-F217 VanDerWaalsContact C-N 3.27Å; E215-F217 PolarHBondContact O-N 3.21Å; E215-N218 PolarHBondContact O-N 2.89Å; E215-K219 WeakPolarHBondContact OE1-CE 3.23Å; E215-K219 WeakPolarHBondContact OE2-CE 3.36Å; E215-K219 WeakPolarHBondContact OE2-CG 3.33Å
216	Y	92.1	Very high	83.5	Confident	23 Å²	23	40.2 Å²	40.2	9%	0.09	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-35.9	179.8	179.6	-92.1	0	0	0	112.8	F181 G182 K185 L212 F213 N218 D432 M434	F181-Y216 HydrophobicContact CB-CE1 3.64Å; F181-Y216 HydrophobicContact CG-CE1 4.45Å; G182-Y216 WeakPolarHBondContact CA-OH 3.27Å; G182-Y216 PolarHBondContact N-OH 3.1Å; K185-Y216 HydrophobicContact CD-CD1 4.05Å; K185-Y216 HydrophobicContact CD-CE1 3.35Å; K185-Y216 WeakPolarHBondContact CE-O 3.35Å; K185-Y216 HydrophobicContact CG-CE1 4.47Å; K185-Y216 PolarHBondContact NZ-O 3.19Å; L212-Y216 WeakPolarHBondContact O-CB 3.27Å; L212-Y216 PolarHBondContact O-N 3.18Å; F213-Y216 PolarHBondContact O-N 3.23Å; Y216-N218 VanDerWaalsContact C-N 3.28Å; Y216-N218 PolarHBondContact O-N 2.93Å; Y216-D432 WeakPolarHBondContact CE2-O 3.47Å; Y216-D432 PolarHBondContact OH-O 3.28Å; Y216-M434 HydrophobicContact CD1-CB 4.45Å; Y216-M434 HydrophobicContact CD2-CB 3.85Å; Y216-M434 HydrophobicContact CD2-CG 4.08Å; Y216-M434 VanDerWaalsContact CE2-CA 3.48Å; Y216-M434 HydrophobicContact CE2-CB 3.89Å; Y216-M434 HydrophobicContact CG-CB 4.12Å; Y216-M434 HydrophobicContact CG-CG 4.01Å
217	F	92.4	Very high	82.9	Confident	1 Å²	1	39.8 Å²	39.8	0%	0.004	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	34.9	174.7	-72.8	-79.3	0	0	0	113	I68 L167 F181 V184 K185 V201 V203 F213 S214 E215 S220	I68-F217 HydrophobicContact CD1-CB 4.41Å; I68-F217 HydrophobicContact CD1-CD2 4.08Å; L167-F217 HydrophobicContact CD1-CZ 4.09Å; F181-F217 HydrophobicContact CB-CZ 3.95Å; F181-F217 HydrophobicContact CD1-CE2 4.31Å; F181-F217 AromaticContact CD1-CZ 3.85Å; F181-F217 HydrophobicContact CD1-CZ 3.85Å; F181-F217 HydrophobicContact CG-CE2 4.33Å; F181-F217 AromaticContact CG-CZ 3.97Å; F181-F217 HydrophobicContact CG-CZ 3.97Å; V184-F217 HydrophobicContact CG2-CE1 4.27Å; K185-F217 HydrophobicContact CD-CD1 4.13Å; K185-F217 HydrophobicContact CD-CE1 4.14Å; K185-F217 HydrophobicContact CG-CD1 4.01Å; K185-F217 HydrophobicContact CG-CE1 3.88Å; V201-F217 HydrophobicContact CG1-CE1 4.11Å; V203-F217 HydrophobicContact CG2-CD2 3.82Å; V203-F217 HydrophobicContact CG2-CE1 4.35Å; V203-F217 HydrophobicContact CG2-CE2 3.48Å; V203-F217 VanDerWaalsContact CG2-CE2 3.48Å; V203-F217 HydrophobicContact CG2-CG 4.42Å; V203-F217 HydrophobicContact CG2-CZ 3.77Å; F213-F217 WeakPolarHBondContact O-CB 2.9Å; F213-F217 VanDerWaalsContact O-CD2 3.3Å; F213-F217 WeakPolarHBondContact O-CD2 3.13Å; F213-F217 PolarHBondContact O-N 2.58Å; S214-F217 CarbonylContact O-C 3.56Å; S214-F217 PolarHBondContact O-N 2.66Å; E215-F217 VanDerWaalsContact C-N 3.27Å; E215-F217 PolarHBondContact O-N 3.21Å; F217-S220 PolarHBondContact O-OG 2.57Å
218	N	89.9	Confident	82.6	Confident	120 Å²	120	43.4 Å²	43.4	64%	0.642	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.7	50.2	175.7	-49.6	-52.8	0	0	0	113.9	S214 E215 Y216 S220	S214-N218 PolarHBondContact O-N 3.04Å; E215-N218 PolarHBondContact O-N 2.89Å; Y216-N218 VanDerWaalsContact C-N 3.28Å; Y216-N218 PolarHBondContact O-N 2.93Å; N218-S220 VanDerWaalsContact C-N 3.26Å; N218-S220 PolarHBondContact O-N 3.18Å
219	K	90.9	Very high	82.9	Confident	145 Å²	145	44.6 Å²	44.6	63%	0.63	22%	0.217	S	C	*	.	S	Bend	trans	54.6	42.8	-177.7	-60.1	-179.4	179	-179.7	0	112.5	S214 E215	S214-K219 CarbonylContact O-C 3.59Å; S214-K219 WeakPolarHBondContact O-CA 3.47Å; S214-K219 PolarHBondContact O-N 2.91Å; E215-K219 WeakPolarHBondContact OE1-CE 3.23Å; E215-K219 WeakPolarHBondContact OE2-CE 3.36Å; E215-K219 WeakPolarHBondContact OE2-CG 3.33Å
220	S	90.9	Very high	83.4	Confident	6 Å²	6	45.3 Å²	45.3	4%	0.042	22%	0.219	C	C	.	.			trans	-61.3	139.7	-178.2	-80.3	0	0	0	0	111.8	N66 S214 F217 N218	N66-S220 WeakPolarHBondContact CB-OG 3.29Å; S214-S220 PolarHBondContact O-N 3.09Å; S214-S220 VanDerWaalsContact O-N 3.08Å; S214-S220 PolarHBondContact OG-N 3.49Å; S214-S220 PolarHBondContact OG-O 2.69Å; F217-S220 PolarHBondContact O-OG 2.57Å; N218-S220 VanDerWaalsContact C-N 3.26Å; N218-S220 PolarHBondContact O-N 3.18Å
221	P	91.5	Very high	84	Confident	30 Å²	30	50 Å²	50	20%	0.195	25%	0.249	C	C	.	.			trans	-59.3	143.9	178.4	-28.4	38.8	0	0	0	113	F20 L64 I68	F20-P221 HydrophobicContact CE2-CB 4.36Å; L64-P221 HydrophobicContact CD1-CB 4.1Å; L64-P221 HydrophobicContact CD1-CG 4.31Å; L64-P221 HydrophobicContact CD2-CB 4.38Å; L64-P221 HydrophobicContact CD2-CG 3.73Å; I68-P221 PolarHBondContact N-O 3.22Å
222	V	90.6	Very high	84.4	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.03	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.5	-178.4	179.7	0	0	0	0	109.5	V18 F19 F20 I68 I70 V210	V18-V222 PolarHBondContact O-N 3.26Å; F19-V222 HydrophobicContact CD2-CG1 4.37Å; F20-V222 PolarHBondContact N-O 3.28Å; I68-V222 HydrophobicContact CB-CG2 4.34Å; I68-V222 CarbonylContact O-C 3.58Å; I68-V222 WeakPolarHBondContact O-CA 3.28Å; I70-V222 HydrophobicContact CD1-CG1 3.27Å; I70-V222 HydrophobicContact CG1-CG1 4.18Å; V210-V222 HydrophobicContact CG1-CB 4.06Å; V210-V222 HydrophobicContact CG1-CG1 3.53Å; V210-V222 HydrophobicContact CG1-CG2 3.33Å
223	L	90	Very high	84.8	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	106.2	173.7	-55.6	-177.1	0	0	0	108.7	F20 E60 L61 A67 I68 V69 I70	F20-L223 HydrophobicContact CB-CD2 4.04Å; F20-L223 HydrophobicContact CD2-CD2 4.24Å; F20-L223 HydrophobicContact CG-CD2 4.48Å; E60-L223 HydrophobicContact CB-CD1 4.17Å; E60-L223 HydrophobicContact CB-CD2 4.19Å; E60-L223 HydrophobicContact CG-CD2 4.2Å; L61-L223 HydrophobicContact CD2-CD1 3.91Å; L61-L223 HydrophobicContact CG-CD1 4.21Å; A67-L223 HydrophobicContact CB-CD1 4.44Å; I68-L223 PolarHBondContact O-N 3.2Å; V69-L223 WeakPolarHBondContact CA-O 3.23Å; V69-L223 HydrophobicContact CG2-CB 4.33Å; V69-L223 HydrophobicContact CG2-CD1 4.33Å; I70-L223 PolarHBondContact N-O 3.31Å
224	Y	86.5	Confident	85.1	Confident	27 Å²	27	53.1 Å²	53.1	11%	0.106	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121.1	178.9	-179.3	-100.8	0	0	0	111.2	F19 I70 E226	F19-Y224 VanDerWaalsContact CE2-CB 3.45Å; F19-Y224 HydrophobicContact CE2-CG 4.03Å; F19-Y224 AromaticContact CZ-CD1 3.94Å; F19-Y224 HydrophobicContact CZ-CD1 3.94Å; F19-Y224 AromaticContact CZ-CG 3.73Å; F19-Y224 HydrophobicContact CZ-CG 3.73Å; I70-Y224 HydrophobicContact CB-CD2 3.99Å; I70-Y224 HydrophobicContact CD1-CD2 4.26Å; I70-Y224 HydrophobicContact CG2-CD2 3.95Å; I70-Y224 HydrophobicContact CG2-CE2 4.16Å; Y224-E226 HydrophobicContact CD1-CB 4.46Å; Y224-E226 HydrophobicContact CE1-CB 3.94Å; Y224-E226 HydrophobicContact CE1-CG 4.32Å
225	L	81.1	Confident	85.4	Confident	6 Å²	6	57.3 Å²	57.3	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	105.7	173	-63.5	168.3	0	0	0	109.1	L22 I50 A53 I57 V69 I70 K77 G227	L22-L225 HydrophobicContact CD1-CD2 3.41Å; L22-L225 VanDerWaalsContact CD1-CD2 3.41Å; L22-L225 HydrophobicContact CD1-CG 4.27Å; I50-L225 HydrophobicContact CD1-CD1 3.64Å; I50-L225 HydrophobicContact CG1-CD1 3.85Å; I50-L225 HydrophobicContact CG1-CD2 4.25Å; A53-L225 HydrophobicContact CB-CD2 3.93Å; I57-L225 HydrophobicContact CD1-CD1 4.34Å; I57-L225 HydrophobicContact CD1-CD2 3.49Å; I57-L225 VanDerWaalsContact CD1-CD2 3.49Å; I57-L225 HydrophobicContact CD1-CG 4.49Å; I57-L225 HydrophobicContact CG1-CD2 4.08Å; V69-L225 HydrophobicContact CG1-CD1 3.72Å; V69-L225 HydrophobicContact CG1-CG 4.33Å; I70-L225 WeakPolarHBondContact O-CB 3.48Å; I70-L225 PolarHBondContact O-N 3.21Å; K77-L225 HydrophobicContact CD-CD1 4.29Å; K77-L225 HydrophobicContact CG-CD1 3.81Å; L225-G227 PolarHBondContact O-N 2.92Å
226	E	71.7	Confident	85.7	Confident	67 Å²	67	54.5 Å²	54.5	31%	0.313	26%	0.262	S	S	.	.			trans	-63.3	121.9	175.7	-167.3	163.3	-151.6	0	0	110	R21 Y224	R21-E226 IonicContact NE-OE2 2.63Å; R21-E226 IonicContact NH2-OE1 2.95Å; R21-E226 PolarHBondContact NH2-OE1 3.02Å; R21-E226 IonicContact NH2-OE2 2.85Å; Y224-E226 HydrophobicContact CD1-CB 4.46Å; Y224-E226 HydrophobicContact CE1-CB 3.94Å; Y224-E226 HydrophobicContact CE1-CG 4.32Å
227	G	65.9	Low	85.9	Confident	10 Å²	10	54.9 Å²	54.9	10%	0.103	27%	0.266	C	S	.	.			trans	-68.3	176.3	177.6	0	0	0	0	0	113.1	L225	L225-G227 PolarHBondContact O-N 2.92Å
228	R	63	Low	86	Confident	99 Å²	99	65 Å²	65	37%	0.374	31%	0.31	S	S	.	.			trans	-104.5	46.8	163.7	-72.9	-179.9	-173.7	171.2	8.2	109.1	Q47 P49 H230	Q47-R228 PolarHBondContact O-NH1 3.49Å; Q47-R228 PolarHBondContact O-NH2 3.04Å; P49-R228 HydrophobicContact CG-CB 4.36Å; P49-R228 HydrophobicContact CG-CG 3.93Å; R228-H230 PolarHBondContact O-CD2 3.3Å; R228-H230 VanDerWaalsContact O-CD2 3.31Å; R228-H230 PolarHBondContact O-N 2.96Å
229	Q	63.8	Low	86.2	Confident	82 Å²	82	66.1 Å²	66.1	38%	0.383	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-71.1	117.9	174.5	-104.8	176	31.4	0	0	109.2	E72 G381	E72-Q229 VanDerWaalsContact OE1-CD 3.26Å; E72-Q229 PolarHBondContact OE1-OE1 2.71Å; E72-Q229 WeakPolarHBondContact OE2-CB 3.28Å; E72-Q229 WeakPolarHBondContact OE2-CG 3.26Å; E72-Q229 PolarHBondContact OE2-NE2 2.82Å; Q229-G381 WeakPolarHBondContact CA-O 3.38Å
230	H	78.5	Confident	86.3	Confident	71 Å²	71	63.4 Å²	63.4	33%	0.329	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-73.5	155.4	167.9	-67.7	-98.5	0	0	0	108.9	R228 I232 G381 E383 D384 A385	R228-H230 PolarHBondContact O-CD2 3.3Å; R228-H230 VanDerWaalsContact O-CD2 3.31Å; R228-H230 PolarHBondContact O-N 2.96Å; H230-I232 PolarHBondContact O-N 2.89Å; H230-G381 PolarHBondContact N-O 2.87Å; H230-E383 PolarHBondContact NE2-O 3.36Å; H230-D384 VanDerWaalsContact CB-O 3.29Å; H230-D384 WeakPolarHBondContact CB-O 3.48Å; H230-D384 VanDerWaalsContact CG-C 3.48Å; H230-A385 HydrophobicContact CB-CB 4.45Å; H230-A385 VanDerWaalsContact CB-N 3.32Å
231	P	85.3	Confident	86.5	Confident	100 Å²	100	66.9 Å²	66.9	65%	0.649	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-58.6	137.2	-179.4	23.4	-33.4	0	0	0	111.3	A385 G386	P231-A385 HydrophobicContact CG-CB 4.08Å; P231-A385 WeakPolarHBondContact O-CA 3.33Å; P231-G386 PolarHBondContact O-N 2.93Å; P231-G386 VanDerWaalsContact O-N 3.12Å
232	I	90	Very high	86.4	Confident	42 Å²	42	71.7 Å²	71.7	22%	0.215	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.3	177.1	-60.3	155.5	0	0	0	108.2	H230 I234 A377 G386 C388	H230-I232 PolarHBondContact O-N 2.89Å; I232-I234 HydrophobicContact CG2-CG1 4.29Å; I232-A377 WeakPolarHBondContact CD1-O 3.39Å; I232-G386 CarbonylContact C-O 3.49Å; I232-G386 VanDerWaalsContact CA-O 3.32Å; I232-G386 WeakPolarHBondContact CA-O 3.49Å; I232-C388 HydrophobicContact CG2-CB 3.95Å
233	Q	94.6	Very high	86.5	Confident	104 Å²	104	74.9 Å²	74.9	49%	0.486	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.5	171.6	-64.9	-176.9	8.7	0	0	109.3	Y235 G386 F387 C388	Q233-Y235 HydrophobicContact CB-CE2 3.8Å; Q233-Y235 PolarHBondContact OE1-OH 3.47Å; Q233-G386 PolarHBondContact N-O 3.04Å; Q233-F387 HydrophobicContact CB-CD1 4.02Å; Q233-F387 HydrophobicContact CB-CE1 4.35Å; Q233-F387 CarbonylContact O-C 3.54Å; Q233-F387 WeakPolarHBondContact O-CA 3.46Å; Q233-F387 VanDerWaalsContact OE1-CE1 3.31Å; Q233-C388 PolarHBondContact O-N 2.85Å
234	I	95.9	Very high	86.7	Confident	46 Å²	46	76.9 Å²	76.9	24%	0.236	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.3	-177.8	-59.5	178.3	0	0	0	108.9	I232 Y236 W374 C388 R390	I232-I234 HydrophobicContact CG2-CG1 4.29Å; I234-Y236 HydrophobicContact CG2-CD2 4.43Å; I234-Y236 HydrophobicContact CG2-CE1 4.35Å; I234-Y236 HydrophobicContact CG2-CE2 3.87Å; I234-W374 HydrophobicContact CD1-CE3 4.3Å; I234-W374 HydrophobicContact CD1-CH2 3.73Å; I234-W374 HydrophobicContact CD1-CZ3 3.43Å; I234-W374 VanDerWaalsContact CD1-CZ3 3.43Å; I234-C388 WeakPolarHBondContact CA-O 3.43Å; I234-C388 HydrophobicContact CG1-CB 4.36Å; I234-R390 HydrophobicContact CG2-CG 4.35Å
235	Y	97.1	Very high	87.1	Confident	101 Å²	101	77.3 Å²	77.3	40%	0.396	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.2	174.4	-62.5	-92.9	0	0	0	109.2	Q233 F387 C388 Y389 R390	Q233-Y235 HydrophobicContact CB-CE2 3.8Å; Q233-Y235 PolarHBondContact OE1-OH 3.47Å; Y235-F387 AromaticContact CE2-CD1 3.93Å; Y235-F387 HydrophobicContact CE2-CD1 3.93Å; Y235-C388 PolarHBondContact N-O 3.03Å; Y235-Y389 HydrophobicContact CD2-CE1 4.24Å; Y235-Y389 HydrophobicContact CG-CD1 4.42Å; Y235-Y389 HydrophobicContact CG-CE1 4.24Å; Y235-R390 WeakPolarHBondContact O-CB 3.42Å; Y235-R390 PolarHBondContact O-N 3.41Å
236	Y	97.6	Very high	87.8	Confident	59 Å²	59	82.8 Å²	82.8	23%	0.231	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	151.4	172.8	-59.9	-86.2	0	0	0	109.4	I234 R390 Y392 E394 F397	I234-Y236 HydrophobicContact CG2-CD2 4.43Å; I234-Y236 HydrophobicContact CG2-CE1 4.35Å; I234-Y236 HydrophobicContact CG2-CE2 3.87Å; Y236-R390 HydrophobicContact CD1-CB 3.86Å; Y236-R390 HydrophobicContact CD1-CG 4.43Å; Y236-R390 HydrophobicContact CE1-CB 4.27Å; Y236-R390 HydrophobicContact CE1-CG 4.36Å; Y236-R390 PolarHBondContact OH-NH1 3.32Å; Y236-Y392 WeakPolarHBondContact CB-O 3.37Å; Y236-Y392 HydrophobicContact CE1-CE2 4.37Å; Y236-E394 HydrophobicContact CD1-CB 4.27Å; Y236-E394 HydrophobicContact CD2-CB 3.9Å; Y236-E394 HydrophobicContact CD2-CG 4.21Å; Y236-E394 HydrophobicContact CE2-CB 4.15Å; Y236-E394 HydrophobicContact CE2-CG 3.97Å; Y236-E394 HydrophobicContact CG-CB 3.95Å; Y236-F397 HydrophobicContact CD1-CB 4.5Å; Y236-F397 HydrophobicContact CE1-CB 3.73Å; Y236-F397 HydrophobicContact CE1-CD1 4.42Å; Y236-F397 AromaticContact CE1-CG 3.99Å; Y236-F397 HydrophobicContact CE1-CG 3.99Å
237	T	96.3	Very high	89	Confident	31 Å²	31	80 Å²	80	19%	0.19	40%	0.403	C	S	.	.			trans	-67.4	146.2	168.4	55	0	0	0	0	109.8	Q239 Q241 R390 L391 Y392 T393	T237-Q239 VanDerWaalsContact C-N 3.3Å; T237-Q239 WeakPolarHBondContact CB-O 3.48Å; T237-Q239 PolarHBondContact OG1-O 3.47Å; T237-Q241 HydrophobicContact CG2-CG 3.96Å; T237-R390 PolarHBondContact N-O 3Å; T237-L391 HydrophobicContact CG2-CD2 4.5Å; T237-Y392 PolarHBondContact N-O 3.19Å; T237-Y392 WeakPolarHBondContact OG1-CA 3.3Å; T237-Y392 PolarHBondContact OG1-N 3.32Å; T237-Y392 PolarHBondContact OG1-O 3.14Å; T237-T393 WeakPolarHBondContact O-CA 3.5Å; T237-T393 WeakPolarHBondContact O-CG2 3.33Å
238	K	94.2	Very high	90.5	Very high	213 Å²	213	79.6 Å²	79.6	93%	0.926	40%	0.398	S	S	*	.	S	Bend	trans	-70.8	-28.6	176.3	-68.6	-174.3	177.6	-179.1	0	112.7
239	Q	94.5	Very high	92.1	Very high	143 Å²	143	76.4 Å²	76.4	67%	0.668	39%	0.388	S	S	*	.	S	Bend	trans	-129.3	150.9	-179.3	-66.6	-179	-7	0	0	110.2	T237 Q241	T237-Q239 VanDerWaalsContact C-N 3.3Å; T237-Q239 WeakPolarHBondContact CB-O 3.48Å; T237-Q239 PolarHBondContact OG1-O 3.47Å; Q239-Q241 PolarHBondContact O-NE2 3.49Å
240	P	93.7	Very high	93.7	Very high	88 Å²	88	76.4 Å²	76.4	57%	0.571	39%	0.394	S	S	*	.			trans	-56.9	140.9	173.4	-23.7	34.4	0	0	0	111.4	T393	P240-T393 HydrophobicContact CG-CG2 4.11Å
241	Q	94	Very high	94.6	Very high	80 Å²	80	73.9 Å²	73.9	37%	0.374	38%	0.384	S	S	.	.			trans	-101.2	115.7	178.9	-58.8	-58.6	-61.3	0	0	109.6	T237 Q239 A247 L391	T237-Q241 HydrophobicContact CG2-CG 3.96Å; Q239-Q241 PolarHBondContact O-NE2 3.49Å; Q241-A247 HydrophobicContact CB-CB 4.15Å; Q241-A247 HydrophobicContact CG-CB 4Å; Q241-L391 VanDerWaalsContact CG-O 3.32Å; Q241-L391 WeakPolarHBondContact CG-O 3.46Å
242	S	89.1	Confident	95.2	Very high	130 Å²	130	69.1 Å²	69.1	91%	0.909	35%	0.353	S	S	*	.	S	Bend	trans	-72.4	-38.9	178.1	51.2	0	0	0	0	112.3
243	D	93.9	Very high	95.4	Very high	72 Å²	72	68 Å²	68	39%	0.385	35%	0.346	S	S	.	.			trans	-110.6	91.9	173	-171.8	-19.8	0	0	0	110.1	V245 Q246 A247	D243-V245 PolarHBondContact O-N 3.35Å; D243-V245 WeakPolarHBondContact OD1-CA 3.49Å; D243-V245 WeakPolarHBondContact OD1-CB 3.45Å; D243-V245 PolarHBondContact OD1-N 3.3Å; D243-Q246 HydrophobicContact CB-CB 4.04Å; D243-Q246 PolarHBondContact O-N 3.28Å; D243-Q246 PolarHBondContact OD1-N 3.07Å; D243-A247 WeakPolarHBondContact O-CB 3.07Å; D243-A247 PolarHBondContact O-N 3.34Å
244	Y	94.5	Very high	95.4	Very high	43 Å²	43	67.2 Å²	67.2	17%	0.169	34%	0.343	C	S	.	.	H	α-helix	trans	-67.1	-21	177.9	62.1	-101.2	0	0	0	113	A248 T270 E274 T346 M348	Y244-A248 VanDerWaalsContact O-CB 3.27Å; Y244-A248 WeakPolarHBondContact O-CB 3.45Å; Y244-A248 PolarHBondContact O-N 2.86Å; Y244-T270 HydrophobicContact CE2-CG2 4.15Å; Y244-E274 PolarHBondContact OH-OE1 3.36Å; Y244-T346 HydrophobicContact CD2-CG2 3.92Å; Y244-M348 HydrophobicContact CD1-CG 3.82Å; Y244-M348 HydrophobicContact CE1-CG 3.84Å; Y244-M348 HydrophobicContact CG-CG 4.17Å
245	V	94.9	Very high	95.4	Very high	36 Å²	36	65.3 Å²	65.3	22%	0.218	33%	0.333	C	S	.	.	H	α-helix	trans	-73.9	-45.9	178.1	-176.1	0	0	0	0	109.3	D243 A248 L249 M269 E274	D243-V245 PolarHBondContact O-N 3.35Å; D243-V245 WeakPolarHBondContact OD1-CA 3.49Å; D243-V245 WeakPolarHBondContact OD1-CB 3.45Å; D243-V245 PolarHBondContact OD1-N 3.3Å; V245-A248 PolarHBondContact O-N 3.13Å; V245-L249 PolarHBondContact O-N 3.44Å; V245-M269 HydrophobicContact CB-CE 4.23Å; V245-M269 HydrophobicContact CG1-CE 3.96Å; V245-M269 HydrophobicContact CG2-CE 3.88Å; V245-E274 HydrophobicContact CG2-CG 4.36Å
246	Q	95.2	Very high	95.3	Very high	121 Å²	121	60.7 Å²	60.7	57%	0.565	32%	0.315	S	S	*	.	H	α-helix	trans	-63	-44.9	173.2	-173.9	-178.3	4.7	0	0	111.3	D243 A248 L249 V250	D243-Q246 HydrophobicContact CB-CB 4.04Å; D243-Q246 PolarHBondContact O-N 3.28Å; D243-Q246 PolarHBondContact OD1-N 3.07Å; Q246-A248 VanDerWaalsContact C-N 3.27Å; Q246-A248 PolarHBondContact O-N 2.71Å; Q246-L249 WeakPolarHBondContact O-CB 3.5Å; Q246-L249 PolarHBondContact O-N 2.76Å; Q246-L249 VanDerWaalsContact O-N 3.17Å; Q246-V250 WeakPolarHBondContact O-CG2 3.39Å; Q246-V250 PolarHBondContact O-N 2.8Å
247	A	96.6	Very high	95	Very high	10 Å²	10	63.4 Å²	63.4	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-60.1	-37.9	177.3	0	0	0	0	0	112.2	Q241 D243 S251 L391	Q241-A247 HydrophobicContact CB-CB 4.15Å; Q241-A247 HydrophobicContact CG-CB 4Å; D243-A247 WeakPolarHBondContact O-CB 3.07Å; D243-A247 PolarHBondContact O-N 3.34Å; A247-S251 VanDerWaalsContact O-CB 3.31Å; A247-S251 WeakPolarHBondContact O-CB 3.48Å; A247-S251 PolarHBondContact O-N 3.17Å; A247-S251 PolarHBondContact O-OG 3.13Å; A247-L391 HydrophobicContact CB-CD1 4Å
248	A	97.6	Very high	94.8	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-66.2	-43.5	174.8	0	0	0	0	0	112	Y244 V245 Q246 S251 V252 V267 M269 I344 T346 L391	Y244-A248 VanDerWaalsContact O-CB 3.27Å; Y244-A248 WeakPolarHBondContact O-CB 3.45Å; Y244-A248 PolarHBondContact O-N 2.86Å; V245-A248 PolarHBondContact O-N 3.13Å; Q246-A248 VanDerWaalsContact C-N 3.27Å; Q246-A248 PolarHBondContact O-N 2.71Å; A248-S251 PolarHBondContact O-N 2.77Å; A248-V252 VanDerWaalsContact O-CG2 3.32Å; A248-V252 WeakPolarHBondContact O-CG2 3.22Å; A248-V252 PolarHBondContact O-N 3.46Å; A248-V267 HydrophobicContact CB-CG1 4.08Å; A248-M269 HydrophobicContact CB-SD 4.19Å; A248-I344 HydrophobicContact CB-CG2 4.36Å; A248-T346 HydrophobicContact CB-CG2 4.22Å; A248-L391 HydrophobicContact CB-CD1 3.76Å
249	L	97.4	Very high	94.6	Very high	32 Å²	32	58.9 Å²	58.9	17%	0.168	31%	0.312	C	S	.	.	H	α-helix	trans	-57	-50.2	175.3	179.7	64.8	0	0	0	111.6	V245 Q246 S251 V252 F253 L278 T281 C282 I285	V245-L249 PolarHBondContact O-N 3.44Å; Q246-L249 WeakPolarHBondContact O-CB 3.5Å; Q246-L249 PolarHBondContact O-N 2.76Å; Q246-L249 VanDerWaalsContact O-N 3.17Å; L249-S251 VanDerWaalsContact C-N 3.32Å; L249-S251 PolarHBondContact O-N 2.92Å; L249-V252 PolarHBondContact O-N 3.26Å; L249-F253 HydrophobicContact CD1-CD2 3.88Å; L249-F253 HydrophobicContact CD1-CE2 3.59Å; L249-F253 HydrophobicContact CG-CD2 4.38Å; L249-F253 HydrophobicContact CG-CE2 4.49Å; L249-F253 WeakPolarHBondContact O-CD2 3.32Å; L249-F253 PolarHBondContact O-N 2.82Å; L249-L278 HydrophobicContact CB-CD1 3.66Å; L249-L278 HydrophobicContact CD1-CD1 3.68Å; L249-L278 HydrophobicContact CG-CD1 4.19Å; L249-T281 HydrophobicContact CD1-CG2 4.09Å; L249-T281 HydrophobicContact CD2-CG2 3.69Å; L249-C282 VanDerWaalsContact CD1-SG 3.56Å; L249-I285 HydrophobicContact CD1-CD1 4.2Å; L249-I285 HydrophobicContact CD2-CD1 4.22Å
250	V	96.3	Very high	94.4	Very high	83 Å²	83	55.4 Å²	55.4	50%	0.503	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-45.9	178.8	173.1	0	0	0	0	110.4	Q246 V252 F253 Q254	Q246-V250 WeakPolarHBondContact O-CG2 3.39Å; Q246-V250 PolarHBondContact O-N 2.8Å; V250-V252 PolarHBondContact O-N 3.02Å; V250-F253 PolarHBondContact O-N 3.03Å; V250-Q254 WeakPolarHBondContact O-CB 3.45Å; V250-Q254 PolarHBondContact O-N 2.99Å
251	S	97.3	Very high	93.9	Very high	17 Å²	17	54.7 Å²	54.7	12%	0.119	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-39.4	179.6	-62.4	0	0	0	0	112.4	A247 A248 L249 F253 I255 L391	A247-S251 VanDerWaalsContact O-CB 3.31Å; A247-S251 WeakPolarHBondContact O-CB 3.48Å; A247-S251 PolarHBondContact O-N 3.17Å; A247-S251 PolarHBondContact O-OG 3.13Å; A248-S251 PolarHBondContact O-N 2.77Å; L249-S251 VanDerWaalsContact C-N 3.32Å; L249-S251 PolarHBondContact O-N 2.92Å; S251-F253 PolarHBondContact O-N 2.89Å; S251-I255 WeakPolarHBondContact O-CB 3.18Å; S251-I255 VanDerWaalsContact O-CG1 3.22Å; S251-I255 WeakPolarHBondContact O-CG1 3.44Å; S251-I255 PolarHBondContact O-N 3.42Å; S251-L391 WeakPolarHBondContact OG-CD2 3.35Å
252	V	97.6	Very high	93.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.1	-48.3	174.7	165.9	0	0	0	0	110.8	A248 L249 V250 H256 V267 M296 V324 I344	A248-V252 VanDerWaalsContact O-CG2 3.32Å; A248-V252 WeakPolarHBondContact O-CG2 3.22Å; A248-V252 PolarHBondContact O-N 3.46Å; L249-V252 PolarHBondContact O-N 3.26Å; V250-V252 PolarHBondContact O-N 3.02Å; V252-H256 WeakPolarHBondContact O-CB 3.46Å; V252-H256 PolarHBondContact O-N 3.08Å; V252-V267 HydrophobicContact CG2-CG2 3.64Å; V252-M296 HydrophobicContact CG1-CE 4.2Å; V252-V324 HydrophobicContact CG1-CG1 4.02Å; V252-V324 HydrophobicContact CG1-CG2 4.37Å; V252-V324 HydrophobicContact CG2-CG1 4.33Å; V252-I344 HydrophobicContact CB-CD1 4.4Å; V252-I344 HydrophobicContact CG2-CD1 3.62Å
253	F	96	Very high	93.6	Very high	18 Å²	18	50.7 Å²	50.7	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-74.7	-34.6	-177.5	-80.4	-72	0	0	0	113.3	L249 V250 S251 H256 Q257 C282 I285 L289 M296	L249-F253 HydrophobicContact CD1-CD2 3.88Å; L249-F253 HydrophobicContact CD1-CE2 3.59Å; L249-F253 HydrophobicContact CG-CD2 4.38Å; L249-F253 HydrophobicContact CG-CE2 4.49Å; L249-F253 WeakPolarHBondContact O-CD2 3.32Å; L249-F253 PolarHBondContact O-N 2.82Å; V250-F253 PolarHBondContact O-N 3.03Å; S251-F253 PolarHBondContact O-N 2.89Å; F253-H256 WeakPolarHBondContact O-CB 3.4Å; F253-H256 PolarHBondContact O-N 3.24Å; F253-Q257 WeakPolarHBondContact O-CG 3.49Å; F253-Q257 PolarHBondContact O-N 2.87Å; F253-C282 HydrophobicContact CE2-CB 4.41Å; F253-C282 HydrophobicContact CZ-CB 4.37Å; F253-I285 HydrophobicContact CD1-CG2 4.09Å; F253-I285 HydrophobicContact CD2-CD1 4.44Å; F253-I285 HydrophobicContact CD2-CG2 4.28Å; F253-I285 HydrophobicContact CE1-CB 4.15Å; F253-I285 HydrophobicContact CE1-CG2 3.56Å; F253-I285 HydrophobicContact CE2-CB 3.88Å; F253-I285 HydrophobicContact CE2-CD1 3.86Å; F253-I285 HydrophobicContact CE2-CG1 4.48Å; F253-I285 HydrophobicContact CE2-CG2 3.77Å; F253-I285 HydrophobicContact CG-CG2 4.43Å; F253-I285 HydrophobicContact CZ-CB 3.51Å; F253-I285 HydrophobicContact CZ-CD1 4.4Å; F253-I285 HydrophobicContact CZ-CG2 3.39Å; F253-L289 HydrophobicContact CD1-CD1 3.96Å; F253-L289 HydrophobicContact CD1-CD2 4.25Å; F253-L289 HydrophobicContact CE1-CD1 3.71Å; F253-L289 HydrophobicContact CE1-CD2 4.45Å; F253-L289 HydrophobicContact CE1-CG 4.27Å; F253-M296 HydrophobicContact CE1-CE 4.21Å; F253-M296 HydrophobicContact CE1-SD 4.36Å; F253-M296 HydrophobicContact CZ-SD 4.42Å
254	Q	94.7	Very high	93.6	Very high	89 Å²	89	48 Å²	48	42%	0.416	26%	0.255	S	S	.	.	H	α-helix	trans	-59	-50.8	172	-174	178.2	0.5	0	0	110.5	V250 H256 Q257 E258	V250-Q254 WeakPolarHBondContact O-CB 3.45Å; V250-Q254 PolarHBondContact O-N 2.99Å; Q254-H256 VanDerWaalsContact C-N 3.31Å; Q254-H256 PolarHBondContact O-N 3.46Å; Q254-Q257 PolarHBondContact O-N 3.27Å; Q254-E258 VanDerWaalsContact CG-OE1 3.26Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.12Å; Q254-E258 PolarHBondContact NE2-OE1 3.13Å; Q254-E258 VanDerWaalsContact NE2-OE1 3.16Å; Q254-E258 WeakPolarHBondContact O-CB 3.4Å; Q254-E258 WeakPolarHBondContact O-CG 3.12Å; Q254-E258 PolarHBondContact O-N 2.92Å
255	I	95.5	Very high	93.7	Very high	6 Å²	6	46 Å²	46	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-39.9	176.7	-62.1	171.4	0	0	0	110.2	S251 Q257 E258 A259 I265 R322 Y342 I344 Y389	S251-I255 WeakPolarHBondContact O-CB 3.18Å; S251-I255 VanDerWaalsContact O-CG1 3.22Å; S251-I255 WeakPolarHBondContact O-CG1 3.44Å; S251-I255 PolarHBondContact O-N 3.42Å; I255-Q257 VanDerWaalsContact C-N 3.3Å; I255-Q257 PolarHBondContact O-N 2.91Å; I255-E258 PolarHBondContact O-N 3.12Å; I255-A259 HydrophobicContact CG2-CB 3.94Å; I255-A259 WeakPolarHBondContact O-CB 3.48Å; I255-A259 PolarHBondContact O-N 2.94Å; I255-I265 HydrophobicContact CB-CD1 3.99Å; I255-I265 HydrophobicContact CG2-CD1 3.74Å; I255-I265 HydrophobicContact CG2-CG1 4.01Å; I255-R322 PolarHBondContact O-NH1 3.44Å; I255-Y342 HydrophobicContact CD1-CD1 4.1Å; I255-Y342 HydrophobicContact CD1-CG 4.42Å; I255-Y342 HydrophobicContact CG1-CD1 4.44Å; I255-Y342 HydrophobicContact CG2-CD1 3.65Å; I255-Y342 HydrophobicContact CG2-CD2 3.8Å; I255-Y342 HydrophobicContact CG2-CE1 4Å; I255-Y342 HydrophobicContact CG2-CE2 4.13Å; I255-Y342 HydrophobicContact CG2-CG 3.57Å; I255-I344 HydrophobicContact CD1-CD1 3.98Å; I255-I344 HydrophobicContact CD1-CG1 4.02Å; I255-Y389 HydrophobicContact CD1-CD2 3.69Å; I255-Y389 HydrophobicContact CD1-CE2 3.74Å; I255-Y389 HydrophobicContact CD1-CG 4.32Å; I255-Y389 HydrophobicContact CG1-CE2 4.2Å
256	H	94.3	Very high	93.8	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.014	24%	0.237	C	C	.	.	H	α-helix	trans	-55.6	-40.9	175.8	-164.9	64.5	0	0	0	113.5	V252 F253 Q254 C293 G294 M296	V252-H256 WeakPolarHBondContact O-CB 3.46Å; V252-H256 PolarHBondContact O-N 3.08Å; F253-H256 WeakPolarHBondContact O-CB 3.4Å; F253-H256 PolarHBondContact O-N 3.24Å; Q254-H256 VanDerWaalsContact C-N 3.31Å; Q254-H256 PolarHBondContact O-N 3.46Å; H256-C293 PolarHBondContact NE2-O 3.31Å; H256-G294 PolarHBondContact NE2-O 2.53Å; H256-M296 HydrophobicContact CB-CE 3.94Å; H256-M296 VanDerWaalsContact CG-CE 3.48Å; H256-M296 WeakPolarHBondContact ND1-CE 3.38Å
257	Q	91.5	Very high	94	Very high	116 Å²	116	38.6 Å²	38.6	54%	0.542	21%	0.21	S	C	.	.	H	α-helix	trans	-79.9	-39	-178.8	-68.3	174.9	12.5	0	0	113.1	F253 Q254 I255	F253-Q257 WeakPolarHBondContact O-CG 3.49Å; F253-Q257 PolarHBondContact O-N 2.87Å; Q254-Q257 PolarHBondContact O-N 3.27Å; I255-Q257 VanDerWaalsContact C-N 3.3Å; I255-Q257 PolarHBondContact O-N 2.91Å
258	E	91.2	Very high	94.1	Very high	135 Å²	135	38.1 Å²	38.1	63%	0.631	21%	0.206	S	C	*	.	H	α-helix	trans	-92.3	-31.1	-170.2	-65	174	-170.8	0	0	113.7	Q254 I255	Q254-E258 VanDerWaalsContact CG-OE1 3.26Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.12Å; Q254-E258 PolarHBondContact NE2-OE1 3.13Å; Q254-E258 VanDerWaalsContact NE2-OE1 3.16Å; Q254-E258 WeakPolarHBondContact O-CB 3.4Å; Q254-E258 WeakPolarHBondContact O-CG 3.12Å; Q254-E258 PolarHBondContact O-N 2.92Å; I255-E258 PolarHBondContact O-N 3.12Å
259	A	91.4	Very high	94	Very high	14 Å²	14	38.2 Å²	38.2	12%	0.116	21%	0.206	C	C	.	.	S	Bend	trans	-92.6	157.8	-172.6	0	0	0	0	0	113.5	I255 Q261 R322 Y342	I255-A259 HydrophobicContact CG2-CB 3.94Å; I255-A259 WeakPolarHBondContact O-CB 3.48Å; I255-A259 PolarHBondContact O-N 2.94Å; A259-Q261 PolarHBondContact O-N 3.22Å; A259-R322 PolarHBondContact O-NH2 3.15Å; A259-Y342 HydrophobicContact CB-CE1 4.29Å; A259-Y342 HydrophobicContact CB-CE2 3.56Å; A259-Y342 VanDerWaalsContact CB-CZ 3.44Å; A259-Y342 VanDerWaalsContact CB-OH 3.24Å; A259-Y342 WeakPolarHBondContact CB-OH 3.24Å
260	P	89.1	Confident	93.8	Very high	70 Å²	70	37.2 Å²	37.2	46%	0.455	20%	0.202	S	C	.	.			trans	-58.6	132.1	174.6	-25.7	34.6	0	0	0	113.9	S262 H263 R322	P260-S262 PolarHBondContact O-N 3.45Å; P260-H263 WeakPolarHBondContact O-CB 3.42Å; P260-H263 PolarHBondContact O-N 2.91Å; P260-R322 PolarHBondContact O-NH2 3.41Å
261	Q	83.9	Confident	93.4	Very high	73 Å²	73	34 Å²	34	34%	0.341	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.4	-174.9	-70.9	173.4	1.1	0	0	114.7	A259 H263 C293 G320	A259-Q261 PolarHBondContact O-N 3.22Å; Q261-H263 PolarHBondContact O-N 2.93Å; Q261-C293 PolarHBondContact NE2-O 3.36Å; Q261-C293 VanDerWaalsContact NE2-O 3.13Å; Q261-G320 PolarHBondContact OE1-O 3.39Å
262	S	85.4	Confident	92.9	Very high	95 Å²	95	37.7 Å²	37.7	66%	0.664	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-7.4	177.4	55	0	0	0	0	114.8	P260	P260-S262 PolarHBondContact O-N 3.45Å
263	H	91	Very high	92.2	Very high	32 Å²	32	45.8 Å²	45.8	15%	0.148	24%	0.238	C	C	.	.	S	Bend	trans	-99.6	121.2	-177.4	-61.8	166.9	0	0	0	111.2	P260 Q261 R322 K341 Y342	P260-H263 WeakPolarHBondContact O-CB 3.42Å; P260-H263 PolarHBondContact O-N 2.91Å; Q261-H263 PolarHBondContact O-N 2.93Å; H263-R322 WeakPolarHBondContact O-CD 3.26Å; H263-R322 PolarHBondContact O-NE 3.13Å; H263-K341 HydrophobicContact CB-CB 3.95Å; H263-K341 HydrophobicContact CB-CD 4.21Å; H263-K341 VanDerWaalsContact CD2-CD 3.4Å; H263-K341 WeakPolarHBondContact CD2-CD 3.44Å; H263-K341 VanDerWaalsContact CE1-CD 3.46Å; H263-K341 WeakPolarHBondContact CE1-CD 3.27Å; H263-K341 PolarHBondContact CE1-NZ 3Å; H263-K341 VanDerWaalsContact CG-CD 3.49Å; H263-K341 WeakPolarHBondContact NE2-CD 3.4Å; H263-K341 PolarHBondContact NE2-NZ 2.71Å; H263-K341 VanDerWaalsContact NE2-NZ 3.11Å; H263-Y342 HydrophobicContact CB-CD2 3.85Å; H263-Y342 HydrophobicContact CB-CE2 3.53Å; H263-Y342 AromaticContact ND1-CE2 3.73Å
264	D	94.6	Very high	91.9	Very high	16 Å²	16	47 Å²	47	9%	0.086	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	154.7	-178.2	-62.8	-32.2	0	0	0	112.6	K323 G339 I340 K341 Y342	D264-K323 WeakPolarHBondContact CA-O 3.33Å; D264-K323 HydrophobicContact CB-CB 4.01Å; D264-K323 WeakPolarHBondContact CB-O 3.37Å; D264-K323 WeakPolarHBondContact OD1-CB 3.29Å; D264-K323 PolarHBondContact OD1-N 3.04Å; D264-K323 WeakPolarHBondContact OD2-CE 3.19Å; D264-K323 IonicContact OD2-NZ 3.91Å; D264-G339 WeakPolarHBondContact CB-O 3.39Å; D264-G339 PolarHBondContact N-O 3.07Å; D264-G339 VanDerWaalsContact N-O 3.09Å; D264-I340 HydrophobicContact CB-CD1 3.94Å; D264-K341 PolarHBondContact O-N 3.36Å; D264-K341 VanDerWaalsContact O-N 3.07Å; D264-Y342 PolarHBondContact O-N 3.41Å; D264-Y342 VanDerWaalsContact O-N 3.16Å
265	I	97.1	Very high	91.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.5	-179.3	-57.5	169	0	0	0	110	I255 V267 K323 V324 I325 Y342 I344	I255-I265 HydrophobicContact CB-CD1 3.99Å; I255-I265 HydrophobicContact CG2-CD1 3.74Å; I255-I265 HydrophobicContact CG2-CG1 4.01Å; I265-V267 HydrophobicContact CG2-CG2 3.83Å; I265-K323 PolarHBondContact N-O 3.06Å; I265-V324 HydrophobicContact CB-CG1 4.38Å; I265-V324 HydrophobicContact CB-CG2 4.39Å; I265-V324 HydrophobicContact CD1-CG2 4.23Å; I265-I325 PolarHBondContact O-N 3.07Å; I265-Y342 CarbonylContact C-O 3.53Å; I265-Y342 WeakPolarHBondContact CA-O 3.45Å; I265-I344 HydrophobicContact CG2-CD1 3.95Å; I265-I344 HydrophobicContact CG2-CG1 4.35Å
266	L	97.2	Very high	91.6	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.4	168	177	62.5	0	0	0	110	F268 I325 A327 A331 I340 Y342 V343 I344 R379	L266-F268 HydrophobicContact CD2-CE2 3.9Å; L266-F268 HydrophobicContact CD2-CZ 3.83Å; L266-F268 HydrophobicContact CG-CE2 4.17Å; L266-F268 HydrophobicContact CG-CZ 4.38Å; L266-I325 HydrophobicContact CD1-CB 3.98Å; L266-I325 HydrophobicContact CD1-CG2 3.69Å; L266-A327 HydrophobicContact CD1-CB 3.87Å; L266-A331 HydrophobicContact CD1-CB 4.09Å; L266-A331 HydrophobicContact CD2-CB 4.21Å; L266-I340 HydrophobicContact CB-CD1 4.02Å; L266-I340 HydrophobicContact CB-CG1 4.36Å; L266-I340 HydrophobicContact CB-CG2 3.76Å; L266-Y342 PolarHBondContact N-O 2.7Å; L266-V343 HydrophobicContact CB-CG2 4.35Å; L266-V343 CarbonylContact O-C 3.54Å; L266-V343 VanDerWaalsContact O-CA 3.31Å; L266-V343 WeakPolarHBondContact O-CA 3.45Å; L266-I344 PolarHBondContact O-N 2.92Å; L266-R379 HydrophobicContact CD2-CB 3.87Å; L266-R379 HydrophobicContact CD2-CG 4.1Å
267	V	98.2	Very high	91.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127	-180	-169.4	0	0	0	0	109.5	A248 V252 I265 M269 V324 I325 L326 A327 I344	A248-V267 HydrophobicContact CB-CG1 4.08Å; V252-V267 HydrophobicContact CG2-CG2 3.64Å; I265-V267 HydrophobicContact CG2-CG2 3.83Å; V267-M269 HydrophobicContact CG1-CG 4.15Å; V267-M269 HydrophobicContact CG1-SD 3.82Å; V267-V324 HydrophobicContact CG2-CG1 4.45Å; V267-I325 PolarHBondContact N-O 3.34Å; V267-L326 HydrophobicContact CB-CD2 3.65Å; V267-L326 HydrophobicContact CG1-CD2 4.27Å; V267-L326 HydrophobicContact CG2-CD2 3.61Å; V267-A327 PolarHBondContact O-N 3.02Å; V267-I344 WeakPolarHBondContact CA-O 3.05Å; V267-I344 HydrophobicContact CB-CB 4.42Å; V267-I344 HydrophobicContact CG1-CB 4.09Å; V267-I344 HydrophobicContact CG1-CG2 4.09Å; V267-I344 HydrophobicContact CG2-CB 4.23Å; V267-I344 HydrophobicContact CG2-CD1 4.06Å
268	F	97.8	Very high	91.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.8	174.4	-73.7	-79.9	0	0	0	111.3	L266 A327 A331 E332 V343 I344 T346 R376 R379	L266-F268 HydrophobicContact CD2-CE2 3.9Å; L266-F268 HydrophobicContact CD2-CZ 3.83Å; L266-F268 HydrophobicContact CG-CE2 4.17Å; L266-F268 HydrophobicContact CG-CZ 4.38Å; F268-A327 CarbonylContact C-O 3.41Å; F268-A327 WeakPolarHBondContact CA-O 3.23Å; F268-A331 HydrophobicContact CE1-CB 3.97Å; F268-A331 HydrophobicContact CZ-CB 4.29Å; F268-E332 HydrophobicContact CE1-CB 4.03Å; F268-V343 HydrophobicContact CD2-CG1 4.02Å; F268-V343 HydrophobicContact CE2-CG1 3.91Å; F268-I344 PolarHBondContact N-O 3.47Å; F268-T346 WeakPolarHBondContact O-CB 3.47Å; F268-T346 WeakPolarHBondContact O-CG2 3.46Å; F268-T346 PolarHBondContact O-OG1 3.31Å; F268-R376 HydrophobicContact CD1-CG 4.06Å; F268-R376 HydrophobicContact CD2-CB 3.82Å; F268-R376 HydrophobicContact CD2-CG 3.76Å; F268-R376 HydrophobicContact CE1-CG 3.9Å; F268-R376 HydrophobicContact CE2-CB 3.5Å; F268-R376 VanDerWaalsContact CE2-CB 3.5Å; F268-R376 HydrophobicContact CE2-CG 3.6Å; F268-R376 HydrophobicContact CG-CG 3.99Å; F268-R376 HydrophobicContact CZ-CB 3.98Å; F268-R376 HydrophobicContact CZ-CG 3.67Å; F268-R379 HydrophobicContact CZ-CG 4.15Å
269	M	96.6	Very high	91.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.192	C	C	.	.			trans	-121.6	167.7	179.3	-59.3	-59	-64.7	0	0	110.6	V245 A248 V267 E274 I275 L278 A327 T328 T346	V245-M269 HydrophobicContact CB-CE 4.23Å; V245-M269 HydrophobicContact CG1-CE 3.96Å; V245-M269 HydrophobicContact CG2-CE 3.88Å; A248-M269 HydrophobicContact CB-SD 4.19Å; V267-M269 HydrophobicContact CG1-CG 4.15Å; V267-M269 HydrophobicContact CG1-SD 3.82Å; M269-E274 HydrophobicContact CE-CB 4.06Å; M269-I275 HydrophobicContact CB-CD1 4.11Å; M269-I275 HydrophobicContact CB-CG1 3.56Å; M269-I275 HydrophobicContact CG-CG1 4.05Å; M269-L278 HydrophobicContact CE-CD2 3.94Å; M269-L278 HydrophobicContact CG-CD2 4.27Å; M269-L278 HydrophobicContact SD-CD2 3.85Å; M269-A327 PolarHBondContact N-O 3.22Å; M269-T328 WeakPolarHBondContact O-CA 3.09Å; M269-T346 HydrophobicContact SD-CG2 3.9Å
270	T	92.6	Very high	91.9	Very high	12 Å²	12	39 Å²	39	7%	0.074	21%	0.206	C	C	.	.	S	Bend	trans	-90.3	-28.4	-170.3	75.6	0	0	0	0	114.2	Y244 E274 M348 K350 V365	Y244-T270 HydrophobicContact CE2-CG2 4.15Å; T270-E274 WeakPolarHBondContact CB-OE2 3.13Å; T270-E274 PolarHBondContact N-OE2 2.98Å; T270-E274 VanDerWaalsContact N-OE2 3.15Å; T270-E274 PolarHBondContact OG1-OE1 3.14Å; T270-E274 VanDerWaalsContact OG1-OE1 3.04Å; T270-E274 PolarHBondContact OG1-OE2 3.25Å; T270-M348 HydrophobicContact CG2-CB 3.55Å; T270-K350 WeakPolarHBondContact O-CB 3.38Å; T270-V365 HydrophobicContact CG2-CG1 3.94Å; T270-V365 HydrophobicContact CG2-CG2 4.37Å
271	G	89.3	Confident	92.2	Very high	15 Å²	15	38.4 Å²	38.4	16%	0.155	20%	0.202	C	C	.	.			trans	-167.2	175.6	-173.9	0	0	0	0	0	115.8	E273 I275	G271-E273 PolarHBondContact O-N 3.1Å; G271-I275 WeakPolarHBondContact O-CB 3.35Å; G271-I275 WeakPolarHBondContact O-CD1 3.36Å; G271-I275 VanDerWaalsContact O-CG1 3.24Å; G271-I275 WeakPolarHBondContact O-CG1 3.31Å; G271-I275 PolarHBondContact O-N 3.11Å
272	Q	85.1	Confident	92.7	Very high	95 Å²	95	35 Å²	35	44%	0.444	19%	0.185	S	C	.	.	H	α-helix	trans	-57.7	-46.8	-175	171.5	174.5	-6.4	0	0	113.2	I275 E276 Y302 S304	Q272-I275 PolarHBondContact O-N 3.28Å; Q272-E276 HydrophobicContact CG-CG 4.26Å; Q272-E276 WeakPolarHBondContact O-CB 3.47Å; Q272-E276 WeakPolarHBondContact O-CG 3.39Å; Q272-E276 PolarHBondContact O-N 3.28Å; Q272-Y302 HydrophobicContact CB-CD1 4.44Å; Q272-Y302 HydrophobicContact CB-CD2 4.04Å; Q272-Y302 HydrophobicContact CB-CE1 4.42Å; Q272-Y302 HydrophobicContact CB-CE2 4.01Å; Q272-Y302 HydrophobicContact CB-CG 4.26Å; Q272-Y302 HydrophobicContact CG-CD2 4.18Å; Q272-Y302 HydrophobicContact CG-CE1 4.06Å; Q272-Y302 HydrophobicContact CG-CE2 3.62Å; Q272-S304 PolarHBondContact OE1-OG 3.34Å
273	E	83.6	Confident	93.1	Very high	170 Å²	170	34.9 Å²	34.9	79%	0.794	17%	0.171	S	C	*	.	H	α-helix	trans	-61.4	-48.3	-175.9	-67.7	176	180	0	0	111.8	G271 E276 A277	G271-E273 PolarHBondContact O-N 3.1Å; E273-E276 PolarHBondContact O-N 3.21Å; E273-A277 VanDerWaalsContact O-CB 3.28Å; E273-A277 WeakPolarHBondContact O-CB 3.32Å; E273-A277 PolarHBondContact O-N 3.4Å
274	E	90.2	Very high	93.2	Very high	42 Å²	42	37.1 Å²	37.1	20%	0.196	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-45.1	175.3	-65.9	178.3	175.3	0	0	111.6	Y244 V245 M269 T270 A277 L278	Y244-E274 PolarHBondContact OH-OE1 3.36Å; V245-E274 HydrophobicContact CG2-CG 4.36Å; M269-E274 HydrophobicContact CE-CB 4.06Å; T270-E274 WeakPolarHBondContact CB-OE2 3.13Å; T270-E274 PolarHBondContact N-OE2 2.98Å; T270-E274 VanDerWaalsContact N-OE2 3.15Å; T270-E274 PolarHBondContact OG1-OE1 3.14Å; T270-E274 VanDerWaalsContact OG1-OE1 3.04Å; T270-E274 PolarHBondContact OG1-OE2 3.25Å; E274-A277 PolarHBondContact O-N 2.84Å; E274-L278 WeakPolarHBondContact O-CB 3.26Å; E274-L278 PolarHBondContact O-N 2.96Å
275	I	94.3	Very high	93.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-46.3	-179.3	-74.2	168.7	0	0	0	111.1	M269 G271 Q272 A279 P300 Y302 L326 T328	M269-I275 HydrophobicContact CB-CD1 4.11Å; M269-I275 HydrophobicContact CB-CG1 3.56Å; M269-I275 HydrophobicContact CG-CG1 4.05Å; G271-I275 WeakPolarHBondContact O-CB 3.35Å; G271-I275 WeakPolarHBondContact O-CD1 3.36Å; G271-I275 VanDerWaalsContact O-CG1 3.24Å; G271-I275 WeakPolarHBondContact O-CG1 3.31Å; G271-I275 PolarHBondContact O-N 3.11Å; Q272-I275 PolarHBondContact O-N 3.28Å; I275-A279 WeakPolarHBondContact O-CB 3.49Å; I275-A279 PolarHBondContact O-N 2.74Å; I275-P300 HydrophobicContact CG2-CB 3.49Å; I275-P300 VanDerWaalsContact CG2-CB 3.49Å; I275-Y302 HydrophobicContact CB-CD1 4.34Å; I275-Y302 HydrophobicContact CD1-CD1 4.12Å; I275-Y302 HydrophobicContact CG2-CD1 3.93Å; I275-Y302 HydrophobicContact CG2-CE1 4.12Å; I275-L326 HydrophobicContact CG1-CB 4.41Å; I275-L326 HydrophobicContact CG2-CB 3.91Å; I275-T328 HydrophobicContact CD1-CG2 3.69Å
276	E	90.3	Very high	92.8	Very high	40 Å²	40	41 Å²	41	19%	0.187	21%	0.208	C	C	.	.	H	α-helix	trans	-71.1	-37.6	-179.2	-70.3	-67.8	171.8	0	0	112.1	Q272 E273 R280 Y302	Q272-E276 HydrophobicContact CG-CG 4.26Å; Q272-E276 WeakPolarHBondContact O-CB 3.47Å; Q272-E276 WeakPolarHBondContact O-CG 3.39Å; Q272-E276 PolarHBondContact O-N 3.28Å; E273-E276 PolarHBondContact O-N 3.21Å; E276-R280 WeakPolarHBondContact O-CG 3.49Å; E276-R280 PolarHBondContact O-N 2.67Å; E276-R280 PolarHBondContact O-NE 2.68Å; E276-Y302 HydrophobicContact CG-CE1 4.19Å; E276-Y302 WeakPolarHBondContact OE1-CE1 3.29Å; E276-Y302 PolarHBondContact OE1-OH 2.97Å
277	A	89.4	Confident	92.4	Very high	39 Å²	39	47.9 Å²	47.9	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-53	172.6	0	0	0	0	0	110.8	E273 E274 A279 R280 T281	E273-A277 VanDerWaalsContact O-CB 3.28Å; E273-A277 WeakPolarHBondContact O-CB 3.32Å; E273-A277 PolarHBondContact O-N 3.4Å; E274-A277 PolarHBondContact O-N 2.84Å; A277-A279 VanDerWaalsContact C-N 3.32Å; A277-A279 PolarHBondContact O-N 3.03Å; A277-R280 PolarHBondContact O-N 3.31Å; A277-T281 PolarHBondContact O-N 3.4Å; A277-T281 PolarHBondContact O-OG1 3.23Å; A277-T281 VanDerWaalsContact O-OG1 3.09Å
278	L	95.4	Very high	92	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-40.1	178.5	-175.8	62.8	0	0	0	111.7	L249 M269 E274 R280 T281 C282 L326	L249-L278 HydrophobicContact CB-CD1 3.66Å; L249-L278 HydrophobicContact CD1-CD1 3.68Å; L249-L278 HydrophobicContact CG-CD1 4.19Å; M269-L278 HydrophobicContact CE-CD2 3.94Å; M269-L278 HydrophobicContact CG-CD2 4.27Å; M269-L278 HydrophobicContact SD-CD2 3.85Å; E274-L278 WeakPolarHBondContact O-CB 3.26Å; E274-L278 PolarHBondContact O-N 2.96Å; L278-R280 PolarHBondContact O-N 2.99Å; L278-T281 PolarHBondContact O-N 2.71Å; L278-C282 WeakPolarHBondContact O-CB 3.43Å; L278-C282 PolarHBondContact O-N 3.1Å; L278-C282 PolarHBondContact O-SG 2.94Å; L278-L326 HydrophobicContact CB-CD1 4.03Å; L278-L326 HydrophobicContact CD2-CD1 4Å; L278-L326 HydrophobicContact CD2-CD2 3.89Å; L278-L326 HydrophobicContact CG-CD1 3.84Å; L278-L326 HydrophobicContact CG-CD2 4.45Å
279	A	95.1	Very high	91.4	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-41.2	177.3	0	0	0	0	0	112.6	I275 A277 R283 V298 L326	I275-A279 WeakPolarHBondContact O-CB 3.49Å; I275-A279 PolarHBondContact O-N 2.74Å; A277-A279 VanDerWaalsContact C-N 3.32Å; A277-A279 PolarHBondContact O-N 3.03Å; A279-R283 VanDerWaalsContact O-CG 3.26Å; A279-R283 WeakPolarHBondContact O-CG 3.32Å; A279-R283 PolarHBondContact O-N 3.41Å; A279-R283 VanDerWaalsContact O-N 3.1Å; A279-V298 HydrophobicContact CB-CG1 3.97Å; A279-L326 HydrophobicContact CB-CD1 3.88Å
280	R	93.4	Very high	90.8	Very high	111 Å²	111	60.8 Å²	60.8	42%	0.419	31%	0.305	S	S	.	.	H	α-helix	trans	-63.9	-51.4	174.9	-75.9	-179	-69.3	-155.3	1.8	110.6	E276 A277 L278 C282 R283 D284	E276-R280 WeakPolarHBondContact O-CG 3.49Å; E276-R280 PolarHBondContact O-N 2.67Å; E276-R280 PolarHBondContact O-NE 2.68Å; A277-R280 PolarHBondContact O-N 3.31Å; L278-R280 PolarHBondContact O-N 2.99Å; R280-C282 VanDerWaalsContact C-N 3.33Å; R280-C282 PolarHBondContact O-N 3.15Å; R280-R283 PolarHBondContact O-N 2.95Å; R280-D284 PolarHBondContact O-N 2.87Å
281	T	94.6	Very high	90.2	Very high	59 Å²	59	68 Å²	68	36%	0.362	34%	0.344	S	S	.	.	H	α-helix	trans	-57.4	-44.5	178.9	-53.2	0	0	0	0	112	L249 A277 L278 R283 D284 I285	L249-T281 HydrophobicContact CD1-CG2 4.09Å; L249-T281 HydrophobicContact CD2-CG2 3.69Å; A277-T281 PolarHBondContact O-N 3.4Å; A277-T281 PolarHBondContact O-OG1 3.23Å; A277-T281 VanDerWaalsContact O-OG1 3.09Å; L278-T281 PolarHBondContact O-N 2.71Å; T281-R283 PolarHBondContact O-N 3.32Å; T281-D284 PolarHBondContact O-N 2.93Å; T281-I285 HydrophobicContact CG2-CD1 3.77Å; T281-I285 HydrophobicContact CG2-CG1 4.4Å; T281-I285 WeakPolarHBondContact O-CG1 3.21Å; T281-I285 PolarHBondContact O-N 2.87Å
282	C	95.4	Very high	89.8	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-43.4	175.5	-70.5	0	0	0	0	112.2	L249 F253 L278 R280 D284 A286 V298	L249-C282 VanDerWaalsContact CD1-SG 3.56Å; F253-C282 HydrophobicContact CE2-CB 4.41Å; F253-C282 HydrophobicContact CZ-CB 4.37Å; L278-C282 WeakPolarHBondContact O-CB 3.43Å; L278-C282 PolarHBondContact O-N 3.1Å; L278-C282 PolarHBondContact O-SG 2.94Å; R280-C282 VanDerWaalsContact C-N 3.33Å; R280-C282 PolarHBondContact O-N 3.15Å; C282-D284 VanDerWaalsContact C-N 3.33Å; C282-D284 PolarHBondContact O-N 2.96Å; C282-A286 WeakPolarHBondContact O-CB 3.34Å; C282-A286 PolarHBondContact O-N 2.89Å; C282-V298 HydrophobicContact CB-CG1 4.39Å; C282-V298 HydrophobicContact CB-CG2 3.79Å
283	R	94.6	Very high	89.5	Confident	94 Å²	94	68.5 Å²	68.5	36%	0.355	36%	0.355	S	S	.	.	H	α-helix	trans	-66.2	-35.3	178	-72.2	175.8	-160.3	126.1	3.7	112.4	A279 R280 T281 K287 V298	A279-R283 VanDerWaalsContact O-CG 3.26Å; A279-R283 WeakPolarHBondContact O-CG 3.32Å; A279-R283 PolarHBondContact O-N 3.41Å; A279-R283 VanDerWaalsContact O-N 3.1Å; R280-R283 PolarHBondContact O-N 2.95Å; T281-R283 PolarHBondContact O-N 3.32Å; R283-K287 WeakPolarHBondContact O-CG 3.39Å; R283-V298 HydrophobicContact CG-CB 4.23Å; R283-V298 HydrophobicContact CG-CG2 4.19Å; R283-V298 PolarHBondContact NH2-O 2.57Å; R283-V298 VanDerWaalsContact NH2-O 3.13Å
284	D	92.9	Very high	89.6	Confident	79 Å²	79	61.3 Å²	61.3	42%	0.422	33%	0.326	S	S	.	.	H	α-helix	trans	-73.6	-46.3	179.8	-69.7	-29.9	0	0	0	111.3	R280 T281 C282 A286 K287 H288	R280-D284 PolarHBondContact O-N 2.87Å; T281-D284 PolarHBondContact O-N 2.93Å; C282-D284 VanDerWaalsContact C-N 3.33Å; C282-D284 PolarHBondContact O-N 2.96Å; D284-A286 VanDerWaalsContact C-N 3.29Å; D284-A286 PolarHBondContact O-N 3.05Å; D284-K287 WeakPolarHBondContact O-CB 3.45Å; D284-K287 PolarHBondContact O-N 3.49Å; D284-K287 IonicContact OD1-NZ 3.37Å; D284-K287 PolarHBondContact OD1-NZ 2.85Å; D284-H288 PolarHBondContact O-CD2 3.48Å; D284-H288 VanDerWaalsContact O-CD2 3.25Å
285	I	92.3	Very high	89.5	Confident	65 Å²	65	62.9 Å²	62.9	33%	0.333	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-39.3	174.5	-65.2	170.7	0	0	0	110.9	L249 F253 T281 K287 H288 L289	L249-I285 HydrophobicContact CD1-CD1 4.2Å; L249-I285 HydrophobicContact CD2-CD1 4.22Å; F253-I285 HydrophobicContact CD1-CG2 4.09Å; F253-I285 HydrophobicContact CD2-CD1 4.44Å; F253-I285 HydrophobicContact CD2-CG2 4.28Å; F253-I285 HydrophobicContact CE1-CB 4.15Å; F253-I285 HydrophobicContact CE1-CG2 3.56Å; F253-I285 HydrophobicContact CE2-CB 3.88Å; F253-I285 HydrophobicContact CE2-CD1 3.86Å; F253-I285 HydrophobicContact CE2-CG1 4.48Å; F253-I285 HydrophobicContact CE2-CG2 3.77Å; F253-I285 HydrophobicContact CG-CG2 4.43Å; F253-I285 HydrophobicContact CZ-CB 3.51Å; F253-I285 HydrophobicContact CZ-CD1 4.4Å; F253-I285 HydrophobicContact CZ-CG2 3.39Å; T281-I285 HydrophobicContact CG2-CD1 3.77Å; T281-I285 HydrophobicContact CG2-CG1 4.4Å; T281-I285 WeakPolarHBondContact O-CG1 3.21Å; T281-I285 PolarHBondContact O-N 2.87Å; I285-K287 PolarHBondContact O-N 3.38Å; I285-K287 VanDerWaalsContact O-N 3.12Å; I285-H288 PolarHBondContact O-N 3Å; I285-L289 PolarHBondContact O-N 3.24Å
286	A	89.6	Confident	89.5	Confident	31 Å²	31	64 Å²	64	26%	0.256	35%	0.346	S	S	.	.	H	α-helix	trans	-60.2	-23.2	179.3	0	0	0	0	0	114	C282 D284 H288 M296	C282-A286 WeakPolarHBondContact O-CB 3.34Å; C282-A286 PolarHBondContact O-N 2.89Å; D284-A286 VanDerWaalsContact C-N 3.29Å; D284-A286 PolarHBondContact O-N 3.05Å; A286-H288 VanDerWaalsContact C-N 3.29Å; A286-M296 HydrophobicContact CB-CG 3.7Å; A286-M296 HydrophobicContact CB-SD 4.07Å
287	K	89.4	Confident	89.6	Confident	148 Å²	148	64 Å²	64	64%	0.643	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-21.3	174.5	-64.9	164.8	-172.5	162.2	0	113.2	R283 D284 I285	R283-K287 WeakPolarHBondContact O-CG 3.39Å; D284-K287 WeakPolarHBondContact O-CB 3.45Å; D284-K287 PolarHBondContact O-N 3.49Å; D284-K287 IonicContact OD1-NZ 3.37Å; D284-K287 PolarHBondContact OD1-NZ 2.85Å; I285-K287 PolarHBondContact O-N 3.38Å; I285-K287 VanDerWaalsContact O-N 3.12Å
288	H	89.2	Confident	89.9	Confident	161 Å²	161	62.5 Å²	62.5	75%	0.745	34%	0.335	S	S	*	.	S	Bend	trans	-107.6	2.8	-175.7	-60.8	-67.3	0	0	0	112.6	D284 I285 A286	D284-H288 PolarHBondContact O-CD2 3.48Å; D284-H288 VanDerWaalsContact O-CD2 3.25Å; I285-H288 PolarHBondContact O-N 3Å; A286-H288 VanDerWaalsContact C-N 3.29Å
289	L	85.6	Confident	89.9	Confident	30 Å²	30	62.7 Å²	62.7	16%	0.157	34%	0.336	C	S	.	.	S	Bend	trans	-71.2	147.6	174.5	-75	179.7	0	0	0	110.8	F253 I285 C293	F253-L289 HydrophobicContact CD1-CD1 3.96Å; F253-L289 HydrophobicContact CD1-CD2 4.25Å; F253-L289 HydrophobicContact CE1-CD1 3.71Å; F253-L289 HydrophobicContact CE1-CD2 4.45Å; F253-L289 HydrophobicContact CE1-CG 4.27Å; I285-L289 PolarHBondContact O-N 3.24Å; L289-C293 HydrophobicContact CB-CB 4.41Å; L289-C293 HydrophobicContact CD1-CB 4.31Å
290	P	84.4	Confident	89.9	Confident	80 Å²	80	63.2 Å²	63.2	52%	0.519	34%	0.34	S	S	.	.			trans	-57.5	146.9	170.4	-21.4	32.3	0	0	0	111.7	S292 C293	P290-S292 PolarHBondContact O-N 3.3Å; P290-C293 PolarHBondContact O-N 2.97Å
291	D	80.8	Confident	89.7	Confident	165 Å²	165	58.1 Å²	58.1	88%	0.882	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-56.4	-25	178.7	-68.2	-30.1	0	0	0	113.1	C293 G294	D291-C293 VanDerWaalsContact C-N 3.26Å; D291-C293 PolarHBondContact O-N 3.37Å; D291-G294 PolarHBondContact O-N 3.17Å
292	S	80.1	Confident	89.3	Confident	102 Å²	102	56 Å²	56	71%	0.713	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-63.9	-24.9	176.9	57.8	0	0	0	0	114.2	P290 G294	P290-S292 PolarHBondContact O-N 3.3Å; S292-G294 VanDerWaalsContact C-N 3.33Å
293	C	79.4	Confident	88.4	Confident	18 Å²	18	59.7 Å²	59.7	12%	0.122	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-78.9	-18.6	-179.9	-62.9	0	0	0	0	112.9	H256 Q261 L289 P290 D291	H256-C293 PolarHBondContact NE2-O 3.31Å; Q261-C293 PolarHBondContact NE2-O 3.36Å; Q261-C293 VanDerWaalsContact NE2-O 3.13Å; L289-C293 HydrophobicContact CB-CB 4.41Å; L289-C293 HydrophobicContact CD1-CB 4.31Å; P290-C293 PolarHBondContact O-N 2.97Å; D291-C293 VanDerWaalsContact C-N 3.26Å; D291-C293 PolarHBondContact O-N 3.37Å
294	G	84.2	Confident	87.3	Confident	18 Å²	18	58.6 Å²	58.6	19%	0.186	34%	0.343	C	S	.	.			trans	68.5	163.9	-175.4	0	0	0	0	0	114.4	H256 D291 S292	H256-G294 PolarHBondContact NE2-O 2.53Å; D291-G294 PolarHBondContact O-N 3.17Å; S292-G294 VanDerWaalsContact C-N 3.33Å
295	P	90.1	Very high	86.2	Confident	76 Å²	76	55.1 Å²	55.1	49%	0.494	32%	0.324	S	S	.	.			trans	-71.2	155	-176.9	28.1	-35.1	0	0	0	113.1	C321 R322	P295-C321 HydrophobicContact CG-CB 4.26Å; P295-C321 WeakPolarHBondContact CG-SG 3.3Å; P295-C321 WeakPolarHBondContact O-CA 3.18Å; P295-R322 PolarHBondContact O-N 3.18Å; P295-R322 VanDerWaalsContact O-N 3.08Å
296	M	92.6	Very high	85.1	Confident	24 Å²	24	54.6 Å²	54.6	12%	0.118	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150	170.1	61.6	156.5	48.5	0	0	112.8	V252 F253 H256 A286 V298 R322 V324	V252-M296 HydrophobicContact CG1-CE 4.2Å; F253-M296 HydrophobicContact CE1-CE 4.21Å; F253-M296 HydrophobicContact CE1-SD 4.36Å; F253-M296 HydrophobicContact CZ-SD 4.42Å; H256-M296 HydrophobicContact CB-CE 3.94Å; H256-M296 VanDerWaalsContact CG-CE 3.48Å; H256-M296 WeakPolarHBondContact ND1-CE 3.38Å; A286-M296 HydrophobicContact CB-CG 3.7Å; A286-M296 HydrophobicContact CB-SD 4.07Å; M296-V298 HydrophobicContact SD-CG2 3.83Å; M296-R322 CarbonylContact C-O 3.46Å; M296-R322 WeakPolarHBondContact CA-O 3.32Å; M296-V324 HydrophobicContact CE-CG2 3.74Å; M296-V324 HydrophobicContact SD-CG2 4.28Å
297	V	93.6	Very high	84	Confident	40 Å²	40	55.1 Å²	55.1	24%	0.242	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.1	174.8	-179.9	0	0	0	0	109.1	I299 P318 C321 R322 V324	V297-I299 HydrophobicContact CG1-CD1 4.28Å; V297-I299 HydrophobicContact CG1-CG1 3.97Å; V297-P318 HydrophobicContact CG2-CG 4.5Å; V297-C321 HydrophobicContact CG2-CB 4.15Å; V297-R322 PolarHBondContact N-O 3.24Å; V297-V324 PolarHBondContact O-N 2.9Å
298	V	95.7	Very high	83.1	Confident	7 Å²	7	51.7 Å²	51.7	4%	0.042	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.9	-178.6	-170.8	0	0	0	0	111	A279 C282 R283 M296 V324 L326	A279-V298 HydrophobicContact CB-CG1 3.97Å; C282-V298 HydrophobicContact CB-CG1 4.39Å; C282-V298 HydrophobicContact CB-CG2 3.79Å; R283-V298 HydrophobicContact CG-CB 4.23Å; R283-V298 HydrophobicContact CG-CG2 4.19Å; R283-V298 PolarHBondContact NH2-O 2.57Å; R283-V298 VanDerWaalsContact NH2-O 3.13Å; M296-V298 HydrophobicContact SD-CG2 3.83Å; V298-V324 CarbonylContact C-O 3.55Å; V298-V324 WeakPolarHBondContact CA-O 3.35Å; V298-V324 HydrophobicContact CG2-CB 4.49Å; V298-L326 HydrophobicContact CG1-CD1 3.82Å; V298-L326 HydrophobicContact CG1-CG 4.11Å
299	I	95.1	Very high	82.5	Confident	9 Å²	9	48.1 Å²	48.1	5%	0.046	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.5	-175	-53.5	-176.6	0	0	0	110.2	V297 K323 V324 I325 L326	V297-I299 HydrophobicContact CG1-CD1 4.28Å; V297-I299 HydrophobicContact CG1-CG1 3.97Å; I299-K323 HydrophobicContact CD1-CD 3.86Å; I299-K323 HydrophobicContact CD1-CG 3.85Å; I299-K323 HydrophobicContact CG1-CG 4.45Å; I299-V324 PolarHBondContact N-O 3.16Å; I299-I325 HydrophobicContact CB-CG1 4.35Å; I299-I325 WeakPolarHBondContact O-CA 3.42Å; I299-L326 PolarHBondContact O-N 3.42Å
300	P	93.9	Very high	82.1	Confident	11 Å²	11	48 Å²	48	7%	0.071	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	147.5	172.4	31.3	-33.7	0	0	0	111.5	I275 Y302 L305 L326	I275-P300 HydrophobicContact CG2-CB 3.49Å; I275-P300 VanDerWaalsContact CG2-CB 3.49Å; P300-Y302 HydrophobicContact CB-CD1 4.3Å; P300-Y302 HydrophobicContact CB-CE1 3.93Å; P300-L305 HydrophobicContact CB-CD1 4.44Å; P300-L305 HydrophobicContact CG-CD1 4.49Å; P300-L305 WeakPolarHBondContact O-CD1 3.33Å; P300-L326 CarbonylContact C-O 3.59Å
301	L	90.4	Very high	81.9	Confident	4 Å²	4	49 Å²	49	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	101.1	175.8	-171.9	68.8	0	0	0	112.4	Q310 V313 I325 L326 A327 T328 I330 A331 I337	L301-Q310 HydrophobicContact CD1-CB 4.19Å; L301-Q310 HydrophobicContact CD1-CG 4.36Å; L301-V313 HydrophobicContact CD1-CG1 4.44Å; L301-V313 HydrophobicContact CD2-CG2 4.3Å; L301-I325 HydrophobicContact CB-CG2 4.28Å; L301-L326 PolarHBondContact N-O 3.41Å; L301-A327 HydrophobicContact CB-CB 3.94Å; L301-A327 HydrophobicContact CD2-CB 4.15Å; L301-A327 HydrophobicContact CG-CB 4.46Å; L301-A327 VanDerWaalsContact O-CA 3.27Å; L301-A327 WeakPolarHBondContact O-CA 3.29Å; L301-T328 PolarHBondContact O-N 3.21Å; L301-I330 HydrophobicContact CD2-CG2 3.81Å; L301-I330 HydrophobicContact CG-CG2 3.65Å; L301-A331 HydrophobicContact CD2-CB 4.29Å; L301-I337 HydrophobicContact CD2-CD1 4.29Å
302	Y	85.9	Confident	82	Confident	15 Å²	15	46.2 Å²	46.2	6%	0.059	29%	0.285	C	S	.	.			trans	-145.2	162.2	175.9	53.6	-97.6	0	0	0	111.5	Q272 I275 E276 P300 S304 L305	Q272-Y302 HydrophobicContact CB-CD1 4.44Å; Q272-Y302 HydrophobicContact CB-CD2 4.04Å; Q272-Y302 HydrophobicContact CB-CE1 4.42Å; Q272-Y302 HydrophobicContact CB-CE2 4.01Å; Q272-Y302 HydrophobicContact CB-CG 4.26Å; Q272-Y302 HydrophobicContact CG-CD2 4.18Å; Q272-Y302 HydrophobicContact CG-CE1 4.06Å; Q272-Y302 HydrophobicContact CG-CE2 3.62Å; I275-Y302 HydrophobicContact CB-CD1 4.34Å; I275-Y302 HydrophobicContact CD1-CD1 4.12Å; I275-Y302 HydrophobicContact CG2-CD1 3.93Å; I275-Y302 HydrophobicContact CG2-CE1 4.12Å; E276-Y302 HydrophobicContact CG-CE1 4.19Å; E276-Y302 WeakPolarHBondContact OE1-CE1 3.29Å; E276-Y302 PolarHBondContact OE1-OH 2.97Å; P300-Y302 HydrophobicContact CB-CD1 4.3Å; P300-Y302 HydrophobicContact CB-CE1 3.93Å; Y302-S304 WeakPolarHBondContact CD2-OG 3.4Å; Y302-S304 WeakPolarHBondContact CE2-OG 3.35Å; Y302-S304 PolarHBondContact O-N 3.31Å; Y302-L305 HydrophobicContact CD1-CD1 4.04Å; Y302-L305 HydrophobicContact CD1-CD2 4.48Å; Y302-L305 HydrophobicContact CD1-CG 4.02Å; Y302-L305 HydrophobicContact CD2-CD1 4.48Å; Y302-L305 HydrophobicContact CD2-CD2 4.37Å; Y302-L305 HydrophobicContact CD2-CG 3.71Å; Y302-L305 HydrophobicContact CE1-CD1 4.07Å; Y302-L305 HydrophobicContact CE1-CD2 3.78Å; Y302-L305 HydrophobicContact CE1-CG 3.81Å; Y302-L305 HydrophobicContact CE2-CB 4.41Å; Y302-L305 HydrophobicContact CE2-CD2 3.64Å; Y302-L305 HydrophobicContact CE2-CG 3.48Å; Y302-L305 VanDerWaalsContact CE2-CG 3.48Å; Y302-L305 HydrophobicContact CG-CD1 4.26Å; Y302-L305 HydrophobicContact CG-CG 3.97Å; Y302-L305 WeakPolarHBondContact O-CB 3.34Å; Y302-L305 PolarHBondContact O-N 2.93Å; Y302-L305 VanDerWaalsContact O-N 3.12Å; Y302-L305 VanDerWaalsContact OH-CD2 3.3Å; Y302-L305 WeakPolarHBondContact OH-CD2 3.22Å
303	A	77.5	Confident	82.4	Confident	76 Å²	76	41.4 Å²	41.4	63%	0.628	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-39.8	-166.9	0	0	0	0	0	114.4	L305 Q310	A303-L305 PolarHBondContact O-N 3.12Å; A303-Q310 PolarHBondContact O-NE2 3.26Å; A303-Q310 VanDerWaalsContact O-NE2 3.13Å
304	S	70.6	Confident	82.6	Confident	71 Å²	71	45.5 Å²	45.5	50%	0.497	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-3.7	-179.5	53.6	0	0	0	0	114.4	Q272 Y302	Q272-S304 PolarHBondContact OE1-OG 3.34Å; Y302-S304 WeakPolarHBondContact CD2-OG 3.4Å; Y302-S304 WeakPolarHBondContact CE2-OG 3.35Å; Y302-S304 PolarHBondContact O-N 3.31Å
305	L	70.3	Confident	82.6	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.031	28%	0.284	C	S	.	.	S	Bend	trans	-64.8	142.2	175.9	-77.4	175	0	0	0	111.6	P300 Y302 A303 Q310	P300-L305 HydrophobicContact CB-CD1 4.44Å; P300-L305 HydrophobicContact CG-CD1 4.49Å; P300-L305 WeakPolarHBondContact O-CD1 3.33Å; Y302-L305 HydrophobicContact CD1-CD1 4.04Å; Y302-L305 HydrophobicContact CD1-CD2 4.48Å; Y302-L305 HydrophobicContact CD1-CG 4.02Å; Y302-L305 HydrophobicContact CD2-CD1 4.48Å; Y302-L305 HydrophobicContact CD2-CD2 4.37Å; Y302-L305 HydrophobicContact CD2-CG 3.71Å; Y302-L305 HydrophobicContact CE1-CD1 4.07Å; Y302-L305 HydrophobicContact CE1-CD2 3.78Å; Y302-L305 HydrophobicContact CE1-CG 3.81Å; Y302-L305 HydrophobicContact CE2-CB 4.41Å; Y302-L305 HydrophobicContact CE2-CD2 3.64Å; Y302-L305 HydrophobicContact CE2-CG 3.48Å; Y302-L305 VanDerWaalsContact CE2-CG 3.48Å; Y302-L305 HydrophobicContact CG-CD1 4.26Å; Y302-L305 HydrophobicContact CG-CG 3.97Å; Y302-L305 WeakPolarHBondContact O-CB 3.34Å; Y302-L305 PolarHBondContact O-N 2.93Å; Y302-L305 VanDerWaalsContact O-N 3.12Å; Y302-L305 VanDerWaalsContact OH-CD2 3.3Å; Y302-L305 WeakPolarHBondContact OH-CD2 3.22Å; A303-L305 PolarHBondContact O-N 3.12Å; L305-Q310 HydrophobicContact CB-CG 3.68Å; L305-Q310 PolarHBondContact O-NE2 3.44Å
306	P	67.6	Low	82.4	Confident	55 Å²	55	52.2 Å²	52.2	36%	0.357	30%	0.297	S	S	.	.			trans	-56.5	139.7	169.9	-24.1	33.8	0	0	0	111.5	A308 Q309 Q310	P306-A308 VanDerWaalsContact C-N 3.27Å; P306-A308 PolarHBondContact O-N 3.48Å; P306-A308 VanDerWaalsContact O-N 3.14Å; P306-Q309 HydrophobicContact CB-CG 4.34Å; P306-Q309 HydrophobicContact CG-CG 4.45Å; P306-Q309 WeakPolarHBondContact O-CA 3.4Å; P306-Q309 WeakPolarHBondContact O-CB 3.44Å; P306-Q309 PolarHBondContact O-N 3.09Å; P306-Q310 PolarHBondContact O-N 2.88Å
307	P	66.7	Low	82	Confident	41 Å²	41	52.4 Å²	52.4	27%	0.266	30%	0.303	S	S	.	.	H	α-helix	trans	-59.5	-31.9	-175.7	-35.8	44.1	0	0	0	115.1	Q309 Q310 L311	P307-Q309 PolarHBondContact O-N 3.2Å; P307-Q310 PolarHBondContact O-N 2.72Å; P307-L311 WeakPolarHBondContact O-CB 3.49Å; P307-L311 VanDerWaalsContact O-CG 3.25Å; P307-L311 WeakPolarHBondContact O-CG 3.32Å; P307-L311 PolarHBondContact O-N 3.2Å
308	A	71.3	Confident	81.7	Confident	77 Å²	77	54.3 Å²	54.3	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-60.1	-34.3	172.4	0	0	0	0	0	112.4	P306	P306-A308 VanDerWaalsContact C-N 3.27Å; P306-A308 PolarHBondContact O-N 3.48Å; P306-A308 VanDerWaalsContact O-N 3.14Å
309	Q	75.9	Confident	81.1	Confident	86 Å²	86	63.7 Å²	63.7	40%	0.402	36%	0.356	S	S	.	.	H	α-helix	trans	-78.3	-39.5	175.6	-61.9	-174.3	10.6	0	0	111.8	P306 P307 L311 R312	P306-Q309 HydrophobicContact CB-CG 4.34Å; P306-Q309 HydrophobicContact CG-CG 4.45Å; P306-Q309 WeakPolarHBondContact O-CA 3.4Å; P306-Q309 WeakPolarHBondContact O-CB 3.44Å; P306-Q309 PolarHBondContact O-N 3.09Å; P307-Q309 PolarHBondContact O-N 3.2Å; Q309-L311 PolarHBondContact O-N 3.34Å; Q309-R312 VanDerWaalsContact O-CB 3.28Å; Q309-R312 WeakPolarHBondContact O-CB 3.26Å; Q309-R312 PolarHBondContact O-N 3.46Å; Q309-R312 VanDerWaalsContact O-N 3.11Å
310	Q	78.4	Confident	80.6	Confident	26 Å²	26	65.4 Å²	65.4	12%	0.121	38%	0.376	C	S	.	.	H	α-helix	trans	-57.8	-40.9	173.8	-63.7	-176.9	4.4	0	0	111.3	L301 A303 L305 P306 P307 R312 V313	L301-Q310 HydrophobicContact CD1-CB 4.19Å; L301-Q310 HydrophobicContact CD1-CG 4.36Å; A303-Q310 PolarHBondContact O-NE2 3.26Å; A303-Q310 VanDerWaalsContact O-NE2 3.13Å; L305-Q310 HydrophobicContact CB-CG 3.68Å; L305-Q310 PolarHBondContact O-NE2 3.44Å; P306-Q310 PolarHBondContact O-N 2.88Å; P307-Q310 PolarHBondContact O-N 2.72Å; Q310-R312 PolarHBondContact O-N 2.85Å; Q310-V313 WeakPolarHBondContact O-CG1 3.41Å; Q310-V313 PolarHBondContact O-N 2.61Å
311	L	79.2	Confident	80.4	Confident	101 Å²	101	66 Å²	66	53%	0.529	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-64.9	-19.6	179.6	-72.3	172	0	0	0	113.9	P307 Q309 V313 F314	P307-L311 WeakPolarHBondContact O-CB 3.49Å; P307-L311 VanDerWaalsContact O-CG 3.25Å; P307-L311 WeakPolarHBondContact O-CG 3.32Å; P307-L311 PolarHBondContact O-N 3.2Å; Q309-L311 PolarHBondContact O-N 3.34Å; L311-V313 PolarHBondContact O-N 2.64Å; L311-F314 HydrophobicContact CD2-CD2 3.96Å; L311-F314 HydrophobicContact CD2-CE2 3.96Å; L311-F314 WeakPolarHBondContact O-CD2 3.37Å; L311-F314 PolarHBondContact O-N 2.78Å
312	R	84.4	Confident	80.5	Confident	108 Å²	108	65.8 Å²	65.8	41%	0.408	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-61.8	-25.6	177.3	-66.2	176.1	61.8	-159	-2.2	112.5	Q309 Q310 F314 Q315	Q309-R312 VanDerWaalsContact O-CB 3.28Å; Q309-R312 WeakPolarHBondContact O-CB 3.26Å; Q309-R312 PolarHBondContact O-N 3.46Å; Q309-R312 VanDerWaalsContact O-N 3.11Å; Q310-R312 PolarHBondContact O-N 2.85Å; R312-F314 PolarHBondContact O-N 2.63Å; R312-Q315 WeakPolarHBondContact O-CB 3.48Å; R312-Q315 PolarHBondContact O-N 2.87Å; R312-Q315 VanDerWaalsContact O-N 3.09Å
313	V	86.8	Confident	80.9	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.006	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-61.5	-29.1	179.6	80.8	0	0	0	0	112.7	L301 Q310 L311 K323 I325 I337	L301-V313 HydrophobicContact CD1-CG1 4.44Å; L301-V313 HydrophobicContact CD2-CG2 4.3Å; Q310-V313 WeakPolarHBondContact O-CG1 3.41Å; Q310-V313 PolarHBondContact O-N 2.61Å; L311-V313 PolarHBondContact O-N 2.64Å; V313-K323 PolarHBondContact O-NZ 2.85Å; V313-I325 HydrophobicContact CG2-CB 4.44Å; V313-I325 HydrophobicContact CG2-CD1 3.42Å; V313-I325 VanDerWaalsContact CG2-CD1 3.42Å; V313-I325 HydrophobicContact CG2-CG1 3.79Å; V313-I325 HydrophobicContact CG2-CG2 3.78Å; V313-I337 HydrophobicContact CG1-CD1 4.42Å; V313-I337 HydrophobicContact CG1-CG1 4.21Å; V313-I337 HydrophobicContact CG2-CD1 3.5Å; V313-I337 HydrophobicContact CG2-CG1 3.92Å; V313-I337 HydrophobicContact CG2-CG2 4.1Å
314	F	84.4	Confident	81.9	Confident	103 Å²	103	61.7 Å²	61.7	45%	0.452	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-83.5	-13.7	179.2	-55.3	-70.5	0	0	0	113.3	L311 R312 V335 T336	L311-F314 HydrophobicContact CD2-CD2 3.96Å; L311-F314 HydrophobicContact CD2-CE2 3.96Å; L311-F314 WeakPolarHBondContact O-CD2 3.37Å; L311-F314 PolarHBondContact O-N 2.78Å; R312-F314 PolarHBondContact O-N 2.63Å; F314-V335 HydrophobicContact CE1-CG1 3.29Å; F314-V335 HydrophobicContact CE2-CG1 4.49Å; F314-V335 HydrophobicContact CZ-CG1 3.27Å; F314-T336 WeakPolarHBondContact CE1-O 3.49Å
315	Q	85.2	Confident	83.1	Confident	117 Å²	117	58.3 Å²	58.3	55%	0.547	32%	0.324	S	S	.	.	S	Bend	trans	-74.9	141.6	178	-64.1	176.5	-5.5	0	0	109.5	R312	R312-Q315 WeakPolarHBondContact O-CB 3.48Å; R312-Q315 PolarHBondContact O-N 2.87Å; R312-Q315 VanDerWaalsContact O-N 3.09Å
316	P	83.8	Confident	84.4	Confident	118 Å²	118	58 Å²	58	77%	0.766	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-65.6	146.8	173.7	28.1	-33.3	0	0	0	110
317	A	85.2	Confident	85.7	Confident	28 Å²	28	55.4 Å²	55.4	23%	0.231	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-66.5	153.2	170.3	0	0	0	0	0	110.6	C321 K323	A317-C321 HydrophobicContact CB-CB 4.39Å; A317-C321 WeakPolarHBondContact CB-O 3.06Å; A317-K323 HydrophobicContact CB-CB 4.12Å
318	P	87	Confident	86.9	Confident	80 Å²	80	54.2 Å²	54.2	52%	0.519	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-54.7	151.2	169.6	-20.5	31.2	0	0	0	111.1	V297 G320 C321	V297-P318 HydrophobicContact CG2-CG 4.5Å; P318-G320 PolarHBondContact O-N 3.4Å; P318-C321 HydrophobicContact CB-CB 4.34Å; P318-C321 WeakPolarHBondContact O-CB 3.43Å; P318-C321 PolarHBondContact O-N 3.16Å
319	K	83.8	Confident	87.8	Confident	205 Å²	205	53.1 Å²	53.1	89%	0.891	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	130.8	-179	-71	-175.9	178.8	179.6	0	110.5	C321	K319-C321 VanDerWaalsContact C-N 3.25Å; K319-C321 PolarHBondContact O-N 2.97Å
320	G	84.1	Confident	88.1	Confident	45 Å²	45	50.2 Å²	50.2	46%	0.464	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	-0.4	-178.2	0	0	0	0	0	114.7	Q261 P318	Q261-G320 PolarHBondContact OE1-O 3.39Å; P318-G320 PolarHBondContact O-N 3.4Å
321	C	89.2	Confident	88.5	Confident	23 Å²	23	49 Å²	49	16%	0.155	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-100	135.7	174.8	-60.2	0	0	0	0	111.2	P295 V297 A317 P318 K319	P295-C321 HydrophobicContact CG-CB 4.26Å; P295-C321 WeakPolarHBondContact CG-SG 3.3Å; P295-C321 WeakPolarHBondContact O-CA 3.18Å; V297-C321 HydrophobicContact CG2-CB 4.15Å; A317-C321 HydrophobicContact CB-CB 4.39Å; A317-C321 WeakPolarHBondContact CB-O 3.06Å; P318-C321 HydrophobicContact CB-CB 4.34Å; P318-C321 WeakPolarHBondContact O-CB 3.43Å; P318-C321 PolarHBondContact O-N 3.16Å; K319-C321 VanDerWaalsContact C-N 3.25Å; K319-C321 PolarHBondContact O-N 2.97Å
322	R	93.1	Very high	88.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	137.3	166.9	177.9	168.4	-67.9	175.3	10.8	111.3	I255 A259 P260 H263 P295 M296 V297 V324	I255-R322 PolarHBondContact O-NH1 3.44Å; A259-R322 PolarHBondContact O-NH2 3.15Å; P260-R322 PolarHBondContact O-NH2 3.41Å; H263-R322 WeakPolarHBondContact O-CD 3.26Å; H263-R322 PolarHBondContact O-NE 3.13Å; P295-R322 PolarHBondContact O-N 3.18Å; P295-R322 VanDerWaalsContact O-N 3.08Å; M296-R322 CarbonylContact C-O 3.46Å; M296-R322 WeakPolarHBondContact CA-O 3.32Å; V297-R322 PolarHBondContact N-O 3.24Å; R322-V324 HydrophobicContact CG-CG2 4.32Å
323	K	95.1	Very high	87.9	Confident	5 Å²	5	39.7 Å²	39.7	2%	0.022	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129.2	168.3	-158.3	172.3	47.7	178.1	0	110.2	D264 I265 I299 V313 A317 I325 S338	D264-K323 WeakPolarHBondContact CA-O 3.33Å; D264-K323 HydrophobicContact CB-CB 4.01Å; D264-K323 WeakPolarHBondContact CB-O 3.37Å; D264-K323 WeakPolarHBondContact OD1-CB 3.29Å; D264-K323 PolarHBondContact OD1-N 3.04Å; D264-K323 WeakPolarHBondContact OD2-CE 3.19Å; D264-K323 IonicContact OD2-NZ 3.91Å; I265-K323 PolarHBondContact N-O 3.06Å; I299-K323 HydrophobicContact CD1-CD 3.86Å; I299-K323 HydrophobicContact CD1-CG 3.85Å; I299-K323 HydrophobicContact CG1-CG 4.45Å; V313-K323 PolarHBondContact O-NZ 2.85Å; A317-K323 HydrophobicContact CB-CB 4.12Å; K323-I325 HydrophobicContact CD-CD1 3.94Å; K323-I325 HydrophobicContact CD-CG1 4.3Å; K323-I325 HydrophobicContact CG-CD1 4.15Å; K323-I325 HydrophobicContact CG-CG1 4.06Å; K323-S338 PolarHBondContact NZ-O 3.48Å
324	V	96.9	Very high	86.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.4	171.7	-176.9	0	0	0	0	108.4	V252 I265 V267 M296 V297 V298 I299 R322 L326	V252-V324 HydrophobicContact CG1-CG1 4.02Å; V252-V324 HydrophobicContact CG1-CG2 4.37Å; V252-V324 HydrophobicContact CG2-CG1 4.33Å; I265-V324 HydrophobicContact CB-CG1 4.38Å; I265-V324 HydrophobicContact CB-CG2 4.39Å; I265-V324 HydrophobicContact CD1-CG2 4.23Å; V267-V324 HydrophobicContact CG2-CG1 4.45Å; M296-V324 HydrophobicContact CE-CG2 3.74Å; M296-V324 HydrophobicContact SD-CG2 4.28Å; V297-V324 PolarHBondContact O-N 2.9Å; V298-V324 CarbonylContact C-O 3.55Å; V298-V324 WeakPolarHBondContact CA-O 3.35Å; V298-V324 HydrophobicContact CG2-CB 4.49Å; I299-V324 PolarHBondContact N-O 3.16Å; R322-V324 HydrophobicContact CG-CG2 4.32Å; V324-L326 HydrophobicContact CG1-CD2 4.08Å
325	I	96.9	Very high	86	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122	-177.1	-64.3	156.7	0	0	0	108.9	I265 L266 V267 I299 L301 V313 K323 A327 I337 I340	I265-I325 PolarHBondContact O-N 3.07Å; L266-I325 HydrophobicContact CD1-CB 3.98Å; L266-I325 HydrophobicContact CD1-CG2 3.69Å; V267-I325 PolarHBondContact N-O 3.34Å; I299-I325 HydrophobicContact CB-CG1 4.35Å; I299-I325 WeakPolarHBondContact O-CA 3.42Å; L301-I325 HydrophobicContact CB-CG2 4.28Å; V313-I325 HydrophobicContact CG2-CB 4.44Å; V313-I325 HydrophobicContact CG2-CD1 3.42Å; V313-I325 VanDerWaalsContact CG2-CD1 3.42Å; V313-I325 HydrophobicContact CG2-CG1 3.79Å; V313-I325 HydrophobicContact CG2-CG2 3.78Å; K323-I325 HydrophobicContact CD-CD1 3.94Å; K323-I325 HydrophobicContact CD-CG1 4.3Å; K323-I325 HydrophobicContact CG-CD1 4.15Å; K323-I325 HydrophobicContact CG-CG1 4.06Å; I325-A327 HydrophobicContact CG2-CB 4.24Å; I325-I337 HydrophobicContact CD1-CD1 4.26Å; I325-I337 HydrophobicContact CD1-CG2 3.68Å; I325-I337 HydrophobicContact CG2-CD1 4.44Å; I325-I340 HydrophobicContact CD1-CD1 3.82Å
326	L	97.5	Very high	85.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	107	177.7	-54.8	-178.3	0	0	0	108	V267 I275 L278 A279 V298 I299 P300 L301 V324	V267-L326 HydrophobicContact CB-CD2 3.65Å; V267-L326 HydrophobicContact CG1-CD2 4.27Å; V267-L326 HydrophobicContact CG2-CD2 3.61Å; I275-L326 HydrophobicContact CG1-CB 4.41Å; I275-L326 HydrophobicContact CG2-CB 3.91Å; L278-L326 HydrophobicContact CB-CD1 4.03Å; L278-L326 HydrophobicContact CD2-CD1 4Å; L278-L326 HydrophobicContact CD2-CD2 3.89Å; L278-L326 HydrophobicContact CG-CD1 3.84Å; L278-L326 HydrophobicContact CG-CD2 4.45Å; A279-L326 HydrophobicContact CB-CD1 3.88Å; V298-L326 HydrophobicContact CG1-CD1 3.82Å; V298-L326 HydrophobicContact CG1-CG 4.11Å; I299-L326 PolarHBondContact O-N 3.42Å; P300-L326 CarbonylContact C-O 3.59Å; L301-L326 PolarHBondContact N-O 3.41Å; V324-L326 HydrophobicContact CG1-CD2 4.08Å
327	A	95.1	Very high	85.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148	-167	0	0	0	0	0	113.7	L266 V267 F268 M269 L301 I325 A331	L266-A327 HydrophobicContact CD1-CB 3.87Å; V267-A327 PolarHBondContact O-N 3.02Å; F268-A327 CarbonylContact C-O 3.41Å; F268-A327 WeakPolarHBondContact CA-O 3.23Å; M269-A327 PolarHBondContact N-O 3.22Å; L301-A327 HydrophobicContact CB-CB 3.94Å; L301-A327 HydrophobicContact CD2-CB 4.15Å; L301-A327 HydrophobicContact CG-CB 4.46Å; L301-A327 VanDerWaalsContact O-CA 3.27Å; L301-A327 WeakPolarHBondContact O-CA 3.29Å; I325-A327 HydrophobicContact CG2-CB 4.24Å; A327-A331 HydrophobicContact CB-CB 3.67Å
328	T	92.6	Very high	85.3	Confident	15 Å²	15	32.2 Å²	32.2	9%	0.092	19%	0.191	C	C	.	.			trans	-76.9	-173	161.6	55.8	0	0	0	0	110.8	M269 I275 L301 I330 A331	M269-T328 WeakPolarHBondContact O-CA 3.09Å; I275-T328 HydrophobicContact CD1-CG2 3.69Å; L301-T328 PolarHBondContact O-N 3.21Å; T328-I330 PolarHBondContact O-N 3.3Å; T328-I330 WeakPolarHBondContact OG1-CG2 3.25Å; T328-A331 PolarHBondContact O-N 2.86Å
329	N	88.2	Confident	85.3	Confident	55 Å²	55	29.8 Å²	29.8	29%	0.294	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-59.1	-3.8	172.8	70.1	-22.5	0	0	0	114.4	A331 E332 V349	N329-A331 PolarHBondContact O-N 2.61Å; N329-E332 HydrophobicContact CB-CB 4.23Å; N329-E332 WeakPolarHBondContact O-CB 3.44Å; N329-E332 PolarHBondContact O-N 2.86Å; N329-V349 HydrophobicContact CB-CG2 4.33Å
330	I	83.8	Confident	85.7	Confident	25 Å²	25	20.6 Å²	20.6	13%	0.128	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-57	-31.4	168.8	-166.7	170.8	0	0	0	113.1	L301 T328 E332	L301-I330 HydrophobicContact CD2-CG2 3.81Å; L301-I330 HydrophobicContact CG-CG2 3.65Å; T328-I330 PolarHBondContact O-N 3.3Å; T328-I330 WeakPolarHBondContact OG1-CG2 3.25Å; I330-E332 VanDerWaalsContact C-N 3.32Å
331	A	86.2	Confident	86.1	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.008	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-82.4	-10.5	175.7	0	0	0	0	0	113.2	L266 F268 L301 A327 T328 N329 R379	L266-A331 HydrophobicContact CD1-CB 4.09Å; L266-A331 HydrophobicContact CD2-CB 4.21Å; F268-A331 HydrophobicContact CE1-CB 3.97Å; F268-A331 HydrophobicContact CZ-CB 4.29Å; L301-A331 HydrophobicContact CD2-CB 4.29Å; A327-A331 HydrophobicContact CB-CB 3.67Å; T328-A331 PolarHBondContact O-N 2.86Å; N329-A331 PolarHBondContact O-N 2.61Å; A331-R379 VanDerWaalsContact O-CD 3.26Å; A331-R379 WeakPolarHBondContact O-CD 3.47Å; A331-R379 PolarHBondContact O-NE 3.01Å; A331-R379 VanDerWaalsContact O-NE 3.09Å; A331-R379 PolarHBondContact O-NH1 3.42Å
332	E	83.5	Confident	86.5	Confident	8 Å²	8	19.9 Å²	19.9	4%	0.037	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-34.8	-169.4	-173.9	176.3	128.9	0	0	114.1	F268 N329 I330 Q372 Q375 R376 R379	F268-E332 HydrophobicContact CE1-CB 4.03Å; N329-E332 HydrophobicContact CB-CB 4.23Å; N329-E332 WeakPolarHBondContact O-CB 3.44Å; N329-E332 PolarHBondContact O-N 2.86Å; I330-E332 VanDerWaalsContact C-N 3.32Å; E332-Q372 WeakPolarHBondContact OE1-CB 3.34Å; E332-Q372 WeakPolarHBondContact OE1-CG 3.41Å; E332-Q372 PolarHBondContact OE1-NE2 3.28Å; E332-Q375 HydrophobicContact CG-CB 4.12Å; E332-R376 HydrophobicContact CG-CG 3.97Å; E332-R376 IonicContact OE2-CZ 2.94Å; E332-R376 IonicContact OE2-NE 2.71Å; E332-R376 PolarHBondContact OE2-NE 2.88Å; E332-R376 IonicContact OE2-NH2 3.1Å; E332-R376 PolarHBondContact OE2-NH2 3.44Å; E332-R379 PolarHBondContact O-NE 2.67Å; E332-R379 PolarHBondContact O-NH2 2.85Å
333	T	68.2	Low	86.7	Confident	5 Å²	5	19.9 Å²	19.9	3%	0.031	12%	0.122	C	C	.	.	S	Bend	trans	-126.6	-59.7	-177.8	54.2	0	0	0	0	110.9	T73 H171 E172 V335 R379	T73-T333 WeakPolarHBondContact CG2-O 3.4Å; H171-T333 WeakPolarHBondContact NE2-CG2 3.46Å; E172-T333 PolarHBondContact OE1-OG1 3.31Å; T333-V335 PolarHBondContact O-N 3.05Å; T333-R379 PolarHBondContact O-NH1 2.97Å; T333-R379 VanDerWaalsContact O-NH1 3.15Å; T333-R379 PolarHBondContact O-NH2 3.43Å
334	S	62	Low	86.8	Confident	40 Å²	40	19.7 Å²	19.7	28%	0.28	12%	0.121	S	C	.	.	S	Bend	trans	-84	-6.6	-156.9	-31.9	0	0	0	0	116.7	R102	R102-S334 WeakPolarHBondContact CD-OG 3.35Å; R102-S334 PolarHBondContact NE-OG 3.39Å
335	V	69.6	Low	86.9	Confident	27 Å²	27	19.7 Å²	19.7	16%	0.164	12%	0.121	C	C	.	.			trans	-131	132.7	-172.6	-177.4	0	0	0	0	112.3	F314 T333 I337 R379	F314-V335 HydrophobicContact CE1-CG1 3.29Å; F314-V335 HydrophobicContact CE2-CG1 4.49Å; F314-V335 HydrophobicContact CZ-CG1 3.27Å; T333-V335 PolarHBondContact O-N 3.05Å; V335-I337 HydrophobicContact CG1-CG1 3.97Å; V335-R379 PolarHBondContact O-NH1 2.92Å
336	T	74.4	Confident	86.9	Confident	61 Å²	61	19.9 Å²	19.9	37%	0.374	12%	0.122	S	C	.	.			trans	-104.1	115.1	172.7	-54.1	0	0	0	0	109.6	F314 R382	F314-T336 WeakPolarHBondContact CE1-O 3.49Å; T336-R382 PolarHBondContact OG1-NH1 3.44Å
337	I	82.3	Confident	86.9	Confident	13 Å²	13	20.1 Å²	20.1	7%	0.067	13%	0.125	C	C	.	.			trans	-106.9	121.3	178.4	-54.9	162.7	0	0	0	107.4	L301 V313 I325 V335 I340	L301-I337 HydrophobicContact CD2-CD1 4.29Å; V313-I337 HydrophobicContact CG1-CD1 4.42Å; V313-I337 HydrophobicContact CG1-CG1 4.21Å; V313-I337 HydrophobicContact CG2-CD1 3.5Å; V313-I337 HydrophobicContact CG2-CG1 3.92Å; V313-I337 HydrophobicContact CG2-CG2 4.1Å; I325-I337 HydrophobicContact CD1-CD1 4.26Å; I325-I337 HydrophobicContact CD1-CG2 3.68Å; I325-I337 HydrophobicContact CG2-CD1 4.44Å; V335-I337 HydrophobicContact CG1-CG1 3.97Å; I337-I340 HydrophobicContact CB-CG1 4.06Å; I337-I340 HydrophobicContact CG2-CD1 4.04Å; I337-I340 HydrophobicContact CG2-CG1 4.05Å
338	S	82.2	Confident	86.9	Confident	69 Å²	69	21.9 Å²	21.9	48%	0.483	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	151	176.2	-68.7	0	0	0	0	112.1	K323 E383	K323-S338 PolarHBondContact NZ-O 3.48Å; S338-E383 WeakPolarHBondContact CA-OE1 3.08Å; S338-E383 WeakPolarHBondContact CB-OE1 3.18Å; S338-E383 PolarHBondContact OG-OE1 3.08Å
339	G	86.2	Confident	86.9	Confident	28 Å²	28	21.5 Å²	21.5	29%	0.289	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	-7.3	176.8	0	0	0	0	0	116.1	D264 K341 E383	D264-G339 WeakPolarHBondContact CB-O 3.39Å; D264-G339 PolarHBondContact N-O 3.07Å; D264-G339 VanDerWaalsContact N-O 3.09Å; G339-K341 PolarHBondContact O-N 3.46Å; G339-E383 PolarHBondContact N-OE2 3.11Å
340	I	91.9	Very high	86.9	Confident	13 Å²	13	23.1 Å²	23.1	7%	0.067	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	119.2	-179.7	-55.4	-54.5	0	0	0	110.3	D264 L266 I325 I337 V343	D264-I340 HydrophobicContact CB-CD1 3.94Å; L266-I340 HydrophobicContact CB-CD1 4.02Å; L266-I340 HydrophobicContact CB-CG1 4.36Å; L266-I340 HydrophobicContact CB-CG2 3.76Å; I325-I340 HydrophobicContact CD1-CD1 3.82Å; I337-I340 HydrophobicContact CB-CG1 4.06Å; I337-I340 HydrophobicContact CG2-CD1 4.04Å; I337-I340 HydrophobicContact CG2-CG1 4.05Å; I340-V343 HydrophobicContact CG2-CG2 4.08Å
341	K	93.7	Very high	86.8	Confident	36 Å²	36	22.6 Å²	22.6	16%	0.157	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-22.5	173.6	-154.1	167.5	-175.7	156.3	0	113.2	H263 D264 G339 D384 A385 G386 F387	H263-K341 HydrophobicContact CB-CB 3.95Å; H263-K341 HydrophobicContact CB-CD 4.21Å; H263-K341 VanDerWaalsContact CD2-CD 3.4Å; H263-K341 WeakPolarHBondContact CD2-CD 3.44Å; H263-K341 VanDerWaalsContact CE1-CD 3.46Å; H263-K341 WeakPolarHBondContact CE1-CD 3.27Å; H263-K341 PolarHBondContact CE1-NZ 3Å; H263-K341 VanDerWaalsContact CG-CD 3.49Å; H263-K341 WeakPolarHBondContact NE2-CD 3.4Å; H263-K341 PolarHBondContact NE2-NZ 2.71Å; H263-K341 VanDerWaalsContact NE2-NZ 3.11Å; D264-K341 PolarHBondContact O-N 3.36Å; D264-K341 VanDerWaalsContact O-N 3.07Å; G339-K341 PolarHBondContact O-N 3.46Å; K341-D384 IonicContact NZ-OD2 3.65Å; K341-D384 PolarHBondContact NZ-OD2 3.11Å; K341-A385 WeakPolarHBondContact CE-O 3.4Å; K341-A385 WeakPolarHBondContact CG-O 3.34Å; K341-G386 WeakPolarHBondContact O-CA 3.33Å; K341-F387 PolarHBondContact O-N 3.17Å
342	Y	96.8	Very high	86.4	Confident	17 Å²	17	27 Å²	27	7%	0.067	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.5	178	-66.3	-83.2	0	0	0	110	I255 A259 H263 D264 I265 L266 F387 Y389	I255-Y342 HydrophobicContact CD1-CD1 4.1Å; I255-Y342 HydrophobicContact CD1-CG 4.42Å; I255-Y342 HydrophobicContact CG1-CD1 4.44Å; I255-Y342 HydrophobicContact CG2-CD1 3.65Å; I255-Y342 HydrophobicContact CG2-CD2 3.8Å; I255-Y342 HydrophobicContact CG2-CE1 4Å; I255-Y342 HydrophobicContact CG2-CE2 4.13Å; I255-Y342 HydrophobicContact CG2-CG 3.57Å; A259-Y342 HydrophobicContact CB-CE1 4.29Å; A259-Y342 HydrophobicContact CB-CE2 3.56Å; A259-Y342 VanDerWaalsContact CB-CZ 3.44Å; A259-Y342 VanDerWaalsContact CB-OH 3.24Å; A259-Y342 WeakPolarHBondContact CB-OH 3.24Å; H263-Y342 HydrophobicContact CB-CD2 3.85Å; H263-Y342 HydrophobicContact CB-CE2 3.53Å; H263-Y342 AromaticContact ND1-CE2 3.73Å; D264-Y342 PolarHBondContact O-N 3.41Å; D264-Y342 VanDerWaalsContact O-N 3.16Å; I265-Y342 CarbonylContact C-O 3.53Å; I265-Y342 WeakPolarHBondContact CA-O 3.45Å; L266-Y342 PolarHBondContact N-O 2.7Å; Y342-F387 WeakPolarHBondContact CA-O 3.47Å; Y342-F387 HydrophobicContact CD1-CB 3.7Å; Y342-F387 HydrophobicContact CD1-CD2 4.01Å; Y342-F387 HydrophobicContact CD1-CG 4.11Å; Y342-F387 HydrophobicContact CE1-CB 3.84Å; Y342-F387 AromaticContact CE1-CD2 3.43Å; Y342-F387 HydrophobicContact CE1-CD2 3.43Å; Y342-F387 VanDerWaalsContact CE1-CD2 3.43Å; Y342-F387 HydrophobicContact CE1-CE2 4.15Å; Y342-F387 AromaticContact CE1-CG 3.71Å; Y342-F387 HydrophobicContact CE1-CG 3.71Å; Y342-F387 AromaticContact CZ-CD2 3.79Å; Y342-Y389 AromaticContact CD1-CE2 3.9Å; Y342-Y389 HydrophobicContact CD1-CE2 3.9Å; Y342-Y389 HydrophobicContact CE1-CE2 4.3Å
343	V	97.5	Very high	86	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.5	169.7	167.8	0	0	0	0	108.9	L266 F268 I340 R379 A380 F387 C388 Y389	L266-V343 HydrophobicContact CB-CG2 4.35Å; L266-V343 CarbonylContact O-C 3.54Å; L266-V343 VanDerWaalsContact O-CA 3.31Å; L266-V343 WeakPolarHBondContact O-CA 3.45Å; F268-V343 HydrophobicContact CD2-CG1 4.02Å; F268-V343 HydrophobicContact CE2-CG1 3.91Å; I340-V343 HydrophobicContact CG2-CG2 4.08Å; V343-R379 HydrophobicContact CG2-CB 3.95Å; V343-A380 HydrophobicContact CB-CB 4.36Å; V343-A380 HydrophobicContact CG2-CB 3.81Å; V343-F387 PolarHBondContact N-O 2.82Å; V343-C388 CarbonylContact O-C 3.6Å; V343-C388 WeakPolarHBondContact O-CA 3.31Å; V343-Y389 PolarHBondContact O-N 2.87Å
344	I	98.4	Very high	86.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.2	167.9	-62.2	171.2	0	0	0	107.2	A248 V252 I255 I265 L266 V267 F268 Y389 L391	A248-I344 HydrophobicContact CB-CG2 4.36Å; V252-I344 HydrophobicContact CB-CD1 4.4Å; V252-I344 HydrophobicContact CG2-CD1 3.62Å; I255-I344 HydrophobicContact CD1-CD1 3.98Å; I255-I344 HydrophobicContact CD1-CG1 4.02Å; I265-I344 HydrophobicContact CG2-CD1 3.95Å; I265-I344 HydrophobicContact CG2-CG1 4.35Å; L266-I344 PolarHBondContact O-N 2.92Å; V267-I344 WeakPolarHBondContact CA-O 3.05Å; V267-I344 HydrophobicContact CB-CB 4.42Å; V267-I344 HydrophobicContact CG1-CB 4.09Å; V267-I344 HydrophobicContact CG1-CG2 4.09Å; V267-I344 HydrophobicContact CG2-CB 4.23Å; V267-I344 HydrophobicContact CG2-CD1 4.06Å; F268-I344 PolarHBondContact N-O 3.47Å; I344-Y389 WeakPolarHBondContact CA-O 3.2Å; I344-L391 HydrophobicContact CG2-CD1 3.68Å; I344-L391 HydrophobicContact CG2-CD2 4.12Å; I344-L391 HydrophobicContact CG2-CG 3.91Å
345	D	98.1	Very high	86.8	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.3	178.4	-168.9	0.2	0	0	0	110	G347 R376 Y389 R390 L391	D345-G347 PolarHBondContact O-N 3.23Å; D345-G347 PolarHBondContact OD1-N 2.88Å; D345-R376 VanDerWaalsContact CG-CD 3.49Å; D345-R376 VanDerWaalsContact OD1-CD 3.28Å; D345-R376 WeakPolarHBondContact OD1-CD 3.32Å; D345-R376 IonicContact OD1-CZ 2.65Å; D345-R376 IonicContact OD1-NE 3.44Å; D345-R376 IonicContact OD1-NH1 3.51Å; D345-R376 PolarHBondContact OD1-NH1 3.05Å; D345-R376 VanDerWaalsContact OD2-CD 3.32Å; D345-R376 WeakPolarHBondContact OD2-CD 3.35Å; D345-Y389 PolarHBondContact N-O 3.35Å; D345-R390 HydrophobicContact CB-CG 4.39Å; D345-R390 WeakPolarHBondContact O-CA 3.43Å; D345-L391 PolarHBondContact O-N 2.89Å
346	T	97.3	Very high	86.6	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.031	20%	0.195	C	C	.	.			trans	-68.8	-15.2	175.3	54.2	0	0	0	0	112.8	Y244 A248 F268 M269 M348 L391	Y244-T346 HydrophobicContact CD2-CG2 3.92Å; A248-T346 HydrophobicContact CB-CG2 4.22Å; F268-T346 WeakPolarHBondContact O-CB 3.47Å; F268-T346 WeakPolarHBondContact O-CG2 3.46Å; F268-T346 PolarHBondContact O-OG1 3.31Å; M269-T346 HydrophobicContact SD-CG2 3.9Å; T346-M348 PolarHBondContact O-N 2.92Å; T346-L391 HydrophobicContact CG2-CD1 4.06Å
347	G	96.3	Very high	86.2	Confident	5 Å²	5	42 Å²	42	5%	0.052	22%	0.216	C	C	.	.	S	Bend	trans	74.9	5.8	-174.7	0	0	0	0	0	114	D345 R367 V368	D345-G347 PolarHBondContact O-N 3.23Å; D345-G347 PolarHBondContact OD1-N 2.88Å; G347-R367 WeakPolarHBondContact O-CA 3.34Å; G347-V368 PolarHBondContact O-N 3.07Å
348	M	95.6	Very high	85.4	Confident	36 Å²	36	42.3 Å²	42.3	18%	0.177	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	152.2	-176.4	-54.7	-55.2	-71.1	0	0	112	Y244 T270 T346 V365 Q366 R367 R376	Y244-M348 HydrophobicContact CD1-CG 3.82Å; Y244-M348 HydrophobicContact CE1-CG 3.84Å; Y244-M348 HydrophobicContact CG-CG 4.17Å; T270-M348 HydrophobicContact CG2-CB 3.55Å; T346-M348 PolarHBondContact O-N 2.92Å; M348-V365 HydrophobicContact CB-CG1 4.28Å; M348-V365 HydrophobicContact CE-CG1 3.49Å; M348-V365 VanDerWaalsContact CE-CG1 3.49Å; M348-Q366 WeakPolarHBondContact CA-O 3.38Å; M348-R367 HydrophobicContact SD-CG 4.07Å; M348-R376 PolarHBondContact O-NH1 2.92Å; M348-R376 PolarHBondContact O-NH2 3.08Å
349	V	92.8	Very high	84.5	Confident	7 Å²	7	41 Å²	41	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	145.8	174.1	64.8	0	0	0	0	109.8	N329 V365 Q366 V368	N329-V349 HydrophobicContact CB-CG2 4.33Å; V349-V365 WeakPolarHBondContact O-CA 3.24Å; V349-Q366 HydrophobicContact CG1-CG 3.98Å; V349-Q366 PolarHBondContact N-O 3.45Å; V349-Q366 PolarHBondContact O-N 3.17Å; V349-V368 HydrophobicContact CB-CG1 3.97Å; V349-V368 HydrophobicContact CG1-CG1 4Å
350	K	87.9	Confident	83.7	Confident	90 Å²	90	40.1 Å²	40.1	39%	0.391	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121	169.2	-156.7	172	-166.1	173.6	0	109.1	T270 L363 A364 V365	T270-K350 WeakPolarHBondContact O-CB 3.38Å; K350-L363 VanDerWaalsContact CE-O 3.3Å; K350-L363 WeakPolarHBondContact CE-O 3.15Å; K350-L363 HydrophobicContact CG-CD2 4.08Å; K350-A364 WeakPolarHBondContact CA-O 3.4Å; K350-V365 HydrophobicContact CG-CG2 4.27Å
351	A	82.4	Confident	82.6	Confident	13 Å²	13	42.3 Å²	42.3	11%	0.107	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.8	-176.8	0	0	0	0	0	111.3	A364 Q366	A351-A364 PolarHBondContact N-O 3.02Å; A351-A364 PolarHBondContact O-N 3.01Å; A351-Q366 HydrophobicContact CB-CG 4.24Å
352	K	76.5	Confident	81.6	Confident	95 Å²	95	41.9 Å²	41.9	41%	0.413	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	135.9	171.1	-71.8	-172.4	167.7	-151.3	0	110.5	E361 V362 L363 R410	K352-E361 IonicContact NZ-OE2 3.88Å; K352-E361 PolarHBondContact NZ-OE2 3.21Å; K352-V362 CarbonylContact C-O 3.35Å; K352-V362 WeakPolarHBondContact CA-O 3.26Å; K352-L363 HydrophobicContact CG-CD2 4.12Å; K352-L363 HydrophobicContact CG-CG 4.14Å; K352-R410 PolarHBondContact O-NH1 3.1Å; K352-R410 VanDerWaalsContact O-NH1 3.12Å
353	R	77.1	Confident	80.6	Confident	172 Å²	172	44.6 Å²	44.6	65%	0.649	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	119.5	171.7	-168.7	-178.3	-160.4	-169.4	5.1	108.6	V362	R353-V362 PolarHBondContact N-O 3.45Å; R353-V362 PolarHBondContact O-N 3.11Å
354	F	73.3	Confident	79.9	Confident	22 Å²	22	46 Å²	46	10%	0.096	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.9	172.5	-177.4	-114.1	0	0	0	110.3	P356 G359 L360 E361 R410 N412	F354-P356 HydrophobicContact CD1-CG 4.16Å; F354-P356 HydrophobicContact CE1-CB 4.18Å; F354-P356 HydrophobicContact CE1-CG 4.2Å; F354-G359 VanDerWaalsContact CE2-C 3.47Å; F354-G359 WeakPolarHBondContact CE2-O 3.45Å; F354-L360 CarbonylContact C-O 3.47Å; F354-L360 VanDerWaalsContact CA-O 3.3Å; F354-L360 WeakPolarHBondContact CA-O 3.36Å; F354-L360 WeakPolarHBondContact CD2-O 3.37Å; F354-E361 HydrophobicContact CB-CG 4.41Å; F354-E361 HydrophobicContact CD2-CG 3.71Å; F354-R410 WeakPolarHBondContact CB-O 3.31Å; F354-R410 PolarHBondContact N-O 3.08Å; F354-N412 HydrophobicContact CD2-CB 4.22Å; F354-N412 HydrophobicContact CE2-CB 3.94Å; F354-N412 HydrophobicContact CZ-CB 4.2Å
355	N	71.7	Confident	79.4	Confident	68 Å²	68	49 Å²	49	36%	0.364	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	111.4	166.5	-176.5	-11.4	0	0	0	108.5	D357 S358 G359 L360	N355-D357 VanDerWaalsContact C-N 3.29Å; N355-D357 PolarHBondContact O-N 3.16Å; N355-D357 PolarHBondContact OD1-N 2.95Å; N355-S358 WeakPolarHBondContact CB-OG 3.49Å; N355-S358 PolarHBondContact ND2-OG 3.25Å; N355-S358 PolarHBondContact O-N 3.18Å; N355-G359 WeakPolarHBondContact O-CA 3.32Å; N355-G359 PolarHBondContact O-N 2.72Å; N355-L360 PolarHBondContact N-O 3.41Å; N355-L360 PolarHBondContact O-N 3.21Å
356	P	65.7	Low	79	Confident	42 Å²	42	52.2 Å²	52.2	27%	0.273	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-36.4	178.9	-23.7	34.2	0	0	0	113.8	F354	F354-P356 HydrophobicContact CD1-CG 4.16Å; F354-P356 HydrophobicContact CE1-CB 4.18Å; F354-P356 HydrophobicContact CE1-CG 4.2Å
357	D	65.8	Low	78.9	Confident	150 Å²	150	57.9 Å²	57.9	80%	0.802	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-39.2	-175	-60.1	-32.1	0	0	0	111.6	N355	N355-D357 VanDerWaalsContact C-N 3.29Å; N355-D357 PolarHBondContact O-N 3.16Å; N355-D357 PolarHBondContact OD1-N 2.95Å
358	S	65.4	Low	78.8	Confident	21 Å²	21	57.7 Å²	57.7	15%	0.147	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	0.5	-179.9	78.4	0	0	0	0	113.3	N355 L360 T620	N355-S358 WeakPolarHBondContact CB-OG 3.49Å; N355-S358 PolarHBondContact ND2-OG 3.25Å; N355-S358 PolarHBondContact O-N 3.18Å; S358-L360 PolarHBondContact O-N 2.84Å; S358-L360 WeakPolarHBondContact OG-CB 3.41Å; S358-L360 WeakPolarHBondContact OG-CG 3.39Å; S358-T620 VanDerWaalsContact O-CG2 3.25Å; S358-T620 WeakPolarHBondContact O-CG2 3.46Å
359	G	65.1	Low	78.7	Confident	41 Å²	41	56 Å²	56	42%	0.423	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	14	-174.8	0	0	0	0	0	115	F354 N355	F354-G359 VanDerWaalsContact CE2-C 3.47Å; F354-G359 WeakPolarHBondContact CE2-O 3.45Å; N355-G359 WeakPolarHBondContact O-CA 3.32Å; N355-G359 PolarHBondContact O-N 2.72Å
360	L	67.9	Low	78.7	Confident	9 Å²	9	58.3 Å²	58.3	5%	0.047	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.4	-171.2	-75.1	-174.2	0	0	0	112.1	F354 N355 S358 V362 L645	F354-L360 CarbonylContact C-O 3.47Å; F354-L360 VanDerWaalsContact CA-O 3.3Å; F354-L360 WeakPolarHBondContact CA-O 3.36Å; F354-L360 WeakPolarHBondContact CD2-O 3.37Å; N355-L360 PolarHBondContact N-O 3.41Å; N355-L360 PolarHBondContact O-N 3.21Å; S358-L360 PolarHBondContact O-N 2.84Å; S358-L360 WeakPolarHBondContact OG-CB 3.41Å; S358-L360 WeakPolarHBondContact OG-CG 3.39Å; L360-V362 HydrophobicContact CB-CG2 4.26Å; L360-L645 HydrophobicContact CD2-CB 3.38Å; L360-L645 HydrophobicContact CD2-CD1 3.3Å; L360-L645 HydrophobicContact CD2-CG 3.91Å
361	E	70.4	Confident	78.7	Confident	60 Å²	60	55.2 Å²	55.2	28%	0.28	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	113	159.9	-70	-164.3	172.6	0	0	110.1	K352 F354 N412	K352-E361 IonicContact NZ-OE2 3.88Å; K352-E361 PolarHBondContact NZ-OE2 3.21Å; F354-E361 HydrophobicContact CB-CG 4.41Å; F354-E361 HydrophobicContact CD2-CG 3.71Å; E361-N412 PolarHBondContact OE1-N 2.98Å
362	V	71.4	Confident	79	Confident	27 Å²	27	55.4 Å²	55.4	16%	0.164	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.6	177	-179.9	0	0	0	0	109.9	K352 R353 L360 A364 H647	K352-V362 CarbonylContact C-O 3.35Å; K352-V362 WeakPolarHBondContact CA-O 3.26Å; R353-V362 PolarHBondContact N-O 3.45Å; R353-V362 PolarHBondContact O-N 3.11Å; L360-V362 HydrophobicContact CB-CG2 4.26Å; V362-A364 HydrophobicContact CG1-CB 4.28Å; V362-A364 PolarHBondContact O-N 2.94Å; V362-H647 HydrophobicContact CB-CB 4.28Å; V362-H647 HydrophobicContact CG1-CB 3.89Å; V362-H647 HydrophobicContact CG2-CB 3.66Å
363	L	76.8	Confident	79.8	Confident	73 Å²	73	50.9 Å²	50.9	38%	0.382	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	93.5	169.3	-96.2	156.2	0	0	0	109.2	K350 K352	K350-L363 VanDerWaalsContact CE-O 3.3Å; K350-L363 WeakPolarHBondContact CE-O 3.15Å; K350-L363 HydrophobicContact CG-CD2 4.08Å; K352-L363 HydrophobicContact CG-CD2 4.12Å; K352-L363 HydrophobicContact CG-CG 4.14Å
364	A	81.6	Confident	80.4	Confident	31 Å²	31	45.9 Å²	45.9	26%	0.256	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.5	-176.9	0	0	0	0	0	111.7	K350 A351 V362	K350-A364 WeakPolarHBondContact CA-O 3.4Å; A351-A364 PolarHBondContact N-O 3.02Å; A351-A364 PolarHBondContact O-N 3.01Å; V362-A364 HydrophobicContact CG1-CB 4.28Å; V362-A364 PolarHBondContact O-N 2.94Å
365	V	87.9	Confident	81.1	Confident	62 Å²	62	46.1 Å²	46.1	38%	0.376	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	128.1	165.6	174.4	0	0	0	0	107.9	T270 M348 V349 K350	T270-V365 HydrophobicContact CG2-CG1 3.94Å; T270-V365 HydrophobicContact CG2-CG2 4.37Å; M348-V365 HydrophobicContact CB-CG1 4.28Å; M348-V365 HydrophobicContact CE-CG1 3.49Å; M348-V365 VanDerWaalsContact CE-CG1 3.49Å; V349-V365 WeakPolarHBondContact O-CA 3.24Å; K350-V365 HydrophobicContact CG-CG2 4.27Å
366	Q	90.9	Very high	82.1	Confident	68 Å²	68	42.9 Å²	42.9	32%	0.318	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	167.8	-179	63.5	178.5	41.1	0	0	110.7	M348 V349 A351	M348-Q366 WeakPolarHBondContact CA-O 3.38Å; V349-Q366 HydrophobicContact CG1-CG 3.98Å; V349-Q366 PolarHBondContact N-O 3.45Å; V349-Q366 PolarHBondContact O-N 3.17Å; A351-Q366 HydrophobicContact CB-CG 4.24Å
367	R	94.4	Very high	83.3	Confident	123 Å²	123	41 Å²	41	46%	0.464	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	148.5	173.5	-66.3	-171.5	176.6	-152	-7.8	111.1	G347 M348 E396 L400	G347-R367 WeakPolarHBondContact O-CA 3.34Å; M348-R367 HydrophobicContact SD-CG 4.07Å; R367-E396 IonicContact CZ-OE1 2.76Å; R367-E396 IonicContact NH1-OE1 3.64Å; R367-E396 PolarHBondContact NH1-OE1 3.09Å; R367-E396 IonicContact NH2-OE1 2.7Å; R367-E396 PolarHBondContact NH2-OE1 3.32Å; R367-L400 HydrophobicContact CB-CD2 3.9Å; R367-L400 HydrophobicContact CG-CD2 4.45Å
368	V	95.2	Very high	84.3	Confident	1 Å²	1	34 Å²	34	1%	0.006	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-72.4	160	172.5	-62	0	0	0	0	111.6	G347 V349 Q372 A373 R376 L400	G347-V368 PolarHBondContact O-N 3.07Å; V349-V368 HydrophobicContact CB-CG1 3.97Å; V349-V368 HydrophobicContact CG1-CG1 4Å; V368-Q372 HydrophobicContact CB-CB 3.98Å; V368-A373 HydrophobicContact CG2-CB 4.08Å; V368-R376 VanDerWaalsContact CG1-CZ 3.41Å; V368-L400 HydrophobicContact CG2-CD1 4.11Å; V368-L400 WeakPolarHBondContact O-CD2 3.41Å
369	S	92.8	Very high	85.4	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.007	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-79.2	163.4	166	69.8	0	0	0	0	111.8	A371 Q372 A373 I401 T404	S369-A371 PolarHBondContact O-N 3.07Å; S369-Q372 PolarHBondContact O-N 3.4Å; S369-Q372 VanDerWaalsContact O-N 3.15Å; S369-Q372 WeakPolarHBondContact OG-CG 3.32Å; S369-Q372 PolarHBondContact OG-N 2.86Å; S369-A373 PolarHBondContact O-N 3.32Å; S369-I401 CarbonylContact C-O 3.58Å; S369-I401 WeakPolarHBondContact CA-O 3.47Å; S369-I401 WeakPolarHBondContact CB-O 3.11Å; S369-T404 PolarHBondContact OG-N 3.48Å; S369-T404 PolarHBondContact OG-OG1 3.05Å
370	K	92.6	Very high	86.6	Confident	55 Å²	55	31.7 Å²	31.7	24%	0.239	16%	0.158	C	C	.	.	H	α-helix	trans	-55.6	-42.1	172.3	-66.7	-172.9	177.1	-177.7	0	111	Q372 A373 W374 F397 D398 L400 I401	K370-Q372 VanDerWaalsContact C-N 3.35Å; K370-Q372 PolarHBondContact O-N 3.19Å; K370-A373 PolarHBondContact O-N 2.94Å; K370-W374 PolarHBondContact O-N 3.24Å; K370-F397 HydrophobicContact CB-CE2 4.34Å; K370-F397 HydrophobicContact CB-CZ 4.37Å; K370-F397 HydrophobicContact CD-CZ 4.47Å; K370-F397 WeakPolarHBondContact CE-O 3.37Å; K370-F397 HydrophobicContact CG-CE2 4.17Å; K370-F397 HydrophobicContact CG-CZ 4.22Å; K370-D398 WeakPolarHBondContact CE-O 3.42Å; K370-D398 PolarHBondContact NZ-O 3.44Å; K370-L400 VanDerWaalsContact CE-O 3.28Å; K370-L400 WeakPolarHBondContact CE-O 3.31Å; K370-L400 HydrophobicContact CG-CB 3.8Å; K370-I401 PolarHBondContact N-O 2.97Å
371	A	86.9	Confident	87.2	Confident	25 Å²	25	31.2 Å²	31.2	21%	0.207	16%	0.156	C	C	.	.	H	α-helix	trans	-57.2	-45.2	176.7	0	0	0	0	0	112.5	S369 W374 Q375 P402 T403	S369-A371 PolarHBondContact O-N 3.07Å; A371-W374 PolarHBondContact O-N 3.12Å; A371-Q375 WeakPolarHBondContact O-CG 3.35Å; A371-Q375 PolarHBondContact O-N 3.11Å; A371-P402 PolarHBondContact N-O 2.98Å; A371-T403 HydrophobicContact CB-CG2 4.48Å
372	Q	90.7	Very high	87.5	Confident	18 Å²	18	30.7 Å²	30.7	8%	0.084	15%	0.151	C	C	.	.	H	α-helix	trans	-65.7	-45.7	177.3	-66.4	-173.3	-87.9	0	0	111.9	E332 V368 S369 K370 W374 Q375 R376 T404	E332-Q372 WeakPolarHBondContact OE1-CB 3.34Å; E332-Q372 WeakPolarHBondContact OE1-CG 3.41Å; E332-Q372 PolarHBondContact OE1-NE2 3.28Å; V368-Q372 HydrophobicContact CB-CB 3.98Å; S369-Q372 PolarHBondContact O-N 3.4Å; S369-Q372 VanDerWaalsContact O-N 3.15Å; S369-Q372 WeakPolarHBondContact OG-CG 3.32Å; S369-Q372 PolarHBondContact OG-N 2.86Å; K370-Q372 VanDerWaalsContact C-N 3.35Å; K370-Q372 PolarHBondContact O-N 3.19Å; Q372-W374 PolarHBondContact O-N 3.27Å; Q372-Q375 WeakPolarHBondContact O-CB 3.37Å; Q372-Q375 PolarHBondContact O-N 3.32Å; Q372-R376 VanDerWaalsContact O-CG 3.31Å; Q372-R376 WeakPolarHBondContact O-CG 3.41Å; Q372-R376 PolarHBondContact O-N 3.03Å; Q372-T404 WeakPolarHBondContact CG-OG1 3.42Å; Q372-T404 PolarHBondContact OE1-OG1 2.74Å
373	A	93.1	Very high	87.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.9	-35.3	176.8	0	0	0	0	0	112.6	V368 S369 K370 A377 R390 Y392 F397	V368-A373 HydrophobicContact CG2-CB 4.08Å; S369-A373 PolarHBondContact O-N 3.32Å; K370-A373 PolarHBondContact O-N 2.94Å; A373-A377 WeakPolarHBondContact O-CB 3.37Å; A373-A377 PolarHBondContact O-N 3.49Å; A373-A377 VanDerWaalsContact O-N 3.08Å; A373-R390 PolarHBondContact O-NH2 3.36Å; A373-Y392 WeakPolarHBondContact CB-OH 3.47Å; A373-F397 HydrophobicContact CB-CD2 4.42Å; A373-F397 HydrophobicContact CB-CE2 3.95Å
374	W	88.8	Confident	87.9	Confident	67 Å²	67	34.7 Å²	34.7	25%	0.254	17%	0.169	S	C	.	.	H	α-helix	trans	-69	-41.5	172.4	-78.7	119.7	0	0	0	112.7	P8 I234 K370 A371 Q372 R376 A377 G378 F397	P8-W374 HydrophobicContact CB-CZ3 4.47Å; I234-W374 HydrophobicContact CD1-CE3 4.3Å; I234-W374 HydrophobicContact CD1-CH2 3.73Å; I234-W374 HydrophobicContact CD1-CZ3 3.43Å; I234-W374 VanDerWaalsContact CD1-CZ3 3.43Å; K370-W374 PolarHBondContact O-N 3.24Å; A371-W374 PolarHBondContact O-N 3.12Å; Q372-W374 PolarHBondContact O-N 3.27Å; W374-R376 VanDerWaalsContact C-N 3.34Å; W374-R376 PolarHBondContact O-N 3.45Å; W374-A377 PolarHBondContact O-N 3.04Å; W374-G378 PolarHBondContact O-N 2.86Å; W374-F397 HydrophobicContact CZ2-CZ 4.24Å; W374-F397 AromaticContact NE1-CZ 3.67Å
375	Q	87.4	Confident	88.2	Confident	27 Å²	27	34.9 Å²	34.9	13%	0.126	17%	0.17	C	C	.	.	H	α-helix	trans	-63.9	-39	176.1	-73	-175.2	-11.8	0	0	112.7	H171 E332 A371 Q372 G378	H171-Q375 PolarHBondContact CD2-NE2 3.24Å; H171-Q375 PolarHBondContact NE2-NE2 2.92Å; E332-Q375 HydrophobicContact CG-CB 4.12Å; A371-Q375 WeakPolarHBondContact O-CG 3.35Å; A371-Q375 PolarHBondContact O-N 3.11Å; Q372-Q375 WeakPolarHBondContact O-CB 3.37Å; Q372-Q375 PolarHBondContact O-N 3.32Å; Q375-G378 PolarHBondContact O-N 3.08Å
376	R	92.4	Very high	88.4	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.9	-51.6	174.7	-69.6	179.8	178.7	-162.8	-0.8	111	F268 E332 D345 M348 V368 Q372 W374 G378 R379	F268-R376 HydrophobicContact CD1-CG 4.06Å; F268-R376 HydrophobicContact CD2-CB 3.82Å; F268-R376 HydrophobicContact CD2-CG 3.76Å; F268-R376 HydrophobicContact CE1-CG 3.9Å; F268-R376 HydrophobicContact CE2-CB 3.5Å; F268-R376 VanDerWaalsContact CE2-CB 3.5Å; F268-R376 HydrophobicContact CE2-CG 3.6Å; F268-R376 HydrophobicContact CG-CG 3.99Å; F268-R376 HydrophobicContact CZ-CB 3.98Å; F268-R376 HydrophobicContact CZ-CG 3.67Å; E332-R376 HydrophobicContact CG-CG 3.97Å; E332-R376 IonicContact OE2-CZ 2.94Å; E332-R376 IonicContact OE2-NE 2.71Å; E332-R376 PolarHBondContact OE2-NE 2.88Å; E332-R376 IonicContact OE2-NH2 3.1Å; E332-R376 PolarHBondContact OE2-NH2 3.44Å; D345-R376 VanDerWaalsContact CG-CD 3.49Å; D345-R376 VanDerWaalsContact OD1-CD 3.28Å; D345-R376 WeakPolarHBondContact OD1-CD 3.32Å; D345-R376 IonicContact OD1-CZ 2.65Å; D345-R376 IonicContact OD1-NE 3.44Å; D345-R376 IonicContact OD1-NH1 3.51Å; D345-R376 PolarHBondContact OD1-NH1 3.05Å; D345-R376 VanDerWaalsContact OD2-CD 3.32Å; D345-R376 WeakPolarHBondContact OD2-CD 3.35Å; M348-R376 PolarHBondContact O-NH1 2.92Å; M348-R376 PolarHBondContact O-NH2 3.08Å; V368-R376 VanDerWaalsContact CG1-CZ 3.41Å; Q372-R376 VanDerWaalsContact O-CG 3.31Å; Q372-R376 WeakPolarHBondContact O-CG 3.41Å; Q372-R376 PolarHBondContact O-N 3.03Å; W374-R376 VanDerWaalsContact C-N 3.34Å; W374-R376 PolarHBondContact O-N 3.45Å; R376-G378 VanDerWaalsContact C-N 3.27Å; R376-G378 PolarHBondContact O-N 3.31Å; R376-R379 VanDerWaalsContact O-CB 3.31Å; R376-R379 WeakPolarHBondContact O-CB 3.32Å; R376-R379 WeakPolarHBondContact O-CG 3.38Å; R376-R379 PolarHBondContact O-N 3.27Å; R376-R379 VanDerWaalsContact O-N 3.07Å
377	A	91.6	Very high	88.7	Confident	1 Å²	1	31 Å²	31	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-56.7	-42.1	175.6	0	0	0	0	0	112	I232 A373 W374 R379 A380 C388	I232-A377 WeakPolarHBondContact CD1-O 3.39Å; A373-A377 WeakPolarHBondContact O-CB 3.37Å; A373-A377 PolarHBondContact O-N 3.49Å; A373-A377 VanDerWaalsContact O-N 3.08Å; W374-A377 PolarHBondContact O-N 3.04Å; A377-R379 PolarHBondContact O-N 2.91Å; A377-A380 PolarHBondContact O-N 2.95Å; A377-C388 HydrophobicContact CB-CB 3.93Å
378	G	87.8	Confident	88.8	Confident	5 Å²	5	25.1 Å²	25.1	5%	0.052	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.3	177.3	0	0	0	0	0	115.3	W374 Q375 R376 A380 R382	W374-G378 PolarHBondContact O-N 2.86Å; Q375-G378 PolarHBondContact O-N 3.08Å; R376-G378 VanDerWaalsContact C-N 3.27Å; R376-G378 PolarHBondContact O-N 3.31Å; G378-A380 VanDerWaalsContact C-N 3.33Å; G378-R382 WeakPolarHBondContact O-CG 3.33Å
379	R	88.4	Confident	88.9	Confident	11 Å²	11	27.9 Å²	27.9	4%	0.042	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-25.5	174.8	-58.1	-70	154.4	172.7	-15.4	112.6	T73 L266 F268 A331 E332 T333 V335 V343 R376 A377 R382	T73-R379 PolarHBondContact OG1-NH2 3.14Å; L266-R379 HydrophobicContact CD2-CB 3.87Å; L266-R379 HydrophobicContact CD2-CG 4.1Å; F268-R379 HydrophobicContact CZ-CG 4.15Å; A331-R379 VanDerWaalsContact O-CD 3.26Å; A331-R379 WeakPolarHBondContact O-CD 3.47Å; A331-R379 PolarHBondContact O-NE 3.01Å; A331-R379 VanDerWaalsContact O-NE 3.09Å; A331-R379 PolarHBondContact O-NH1 3.42Å; E332-R379 PolarHBondContact O-NE 2.67Å; E332-R379 PolarHBondContact O-NH2 2.85Å; T333-R379 PolarHBondContact O-NH1 2.97Å; T333-R379 VanDerWaalsContact O-NH1 3.15Å; T333-R379 PolarHBondContact O-NH2 3.43Å; V335-R379 PolarHBondContact O-NH1 2.92Å; V343-R379 HydrophobicContact CG2-CB 3.95Å; R376-R379 VanDerWaalsContact O-CB 3.31Å; R376-R379 WeakPolarHBondContact O-CB 3.32Å; R376-R379 WeakPolarHBondContact O-CG 3.38Å; R376-R379 PolarHBondContact O-N 3.27Å; R376-R379 VanDerWaalsContact O-N 3.07Å; A377-R379 PolarHBondContact O-N 2.91Å; R379-R382 VanDerWaalsContact NE-NH2 3.15Å; R379-R382 VanDerWaalsContact NH1-CZ 3.31Å
380	A	88.9	Confident	89.2	Confident	1 Å²	1	28 Å²	28	1%	0.008	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-24.8	177.1	0	0	0	0	0	113.6	V343 A377 G378	V343-A380 HydrophobicContact CB-CB 4.36Å; V343-A380 HydrophobicContact CG2-CB 3.81Å; A377-A380 PolarHBondContact O-N 2.95Å; G378-A380 VanDerWaalsContact C-N 3.33Å
381	G	81.7	Confident	89.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	18.1	-171.7	0	0	0	0	0	115.7	Q229 H230 D384	Q229-G381 WeakPolarHBondContact CA-O 3.38Å; H230-G381 PolarHBondContact N-O 2.87Å; G381-D384 WeakPolarHBondContact CA-O 3.28Å
382	R	77.4	Confident	89.9	Confident	49 Å²	49	25.1 Å²	25.1	19%	0.185	12%	0.12	C	C	.	.	S	Bend	trans	-82.5	-41.7	-169.4	-68.5	-171.8	172.2	-154.2	-10.4	115.1	T336 G378 R379	T336-R382 PolarHBondContact OG1-NH1 3.44Å; G378-R382 WeakPolarHBondContact O-CG 3.33Å; R379-R382 VanDerWaalsContact NE-NH2 3.15Å; R379-R382 VanDerWaalsContact NH1-CZ 3.31Å
383	E	75.1	Confident	90.3	Very high	104 Å²	104	24.9 Å²	24.9	49%	0.486	12%	0.12	S	C	.	.	S	Bend	trans	-109.7	-28.5	-174	-65.7	-177.7	162	0	0	111.6	H230 S338 G339	H230-E383 PolarHBondContact NE2-O 3.36Å; S338-E383 WeakPolarHBondContact CA-OE1 3.08Å; S338-E383 WeakPolarHBondContact CB-OE1 3.18Å; S338-E383 PolarHBondContact OG-OE1 3.08Å; G339-E383 PolarHBondContact N-OE2 3.11Å
384	D	80.3	Confident	90.4	Very high	79 Å²	79	30.3 Å²	30.3	42%	0.422	15%	0.145	S	C	.	.	S	Bend	trans	-158.5	172.6	-177.8	-166.2	8.4	0	0	0	109.6	H230 K341 G381	H230-D384 VanDerWaalsContact CB-O 3.29Å; H230-D384 WeakPolarHBondContact CB-O 3.48Å; H230-D384 VanDerWaalsContact CG-C 3.48Å; K341-D384 IonicContact NZ-OD2 3.65Å; K341-D384 PolarHBondContact NZ-OD2 3.11Å; G381-D384 WeakPolarHBondContact CA-O 3.28Å
385	A	87.8	Confident	90.8	Very high	35 Å²	35	34 Å²	34	29%	0.289	17%	0.165	S	C	.	.			trans	-58.6	140.1	173.3	0	0	0	0	0	110.6	H230 P231 K341	H230-A385 HydrophobicContact CB-CB 4.45Å; H230-A385 VanDerWaalsContact CB-N 3.32Å; P231-A385 HydrophobicContact CG-CB 4.08Å; P231-A385 WeakPolarHBondContact O-CA 3.33Å; K341-A385 WeakPolarHBondContact CE-O 3.4Å; K341-A385 WeakPolarHBondContact CG-O 3.34Å
386	G	92.9	Very high	91.2	Very high	2 Å²	2	34 Å²	34	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	175.9	-169.3	0	0	0	0	0	114	P231 I232 Q233 K341	P231-G386 PolarHBondContact O-N 2.93Å; P231-G386 VanDerWaalsContact O-N 3.12Å; I232-G386 CarbonylContact C-O 3.49Å; I232-G386 VanDerWaalsContact CA-O 3.32Å; I232-G386 WeakPolarHBondContact CA-O 3.49Å; Q233-G386 PolarHBondContact N-O 3.04Å; K341-G386 WeakPolarHBondContact O-CA 3.33Å
387	F	95.9	Very high	91.4	Very high	47 Å²	47	34.7 Å²	34.7	21%	0.206	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.2	-176.2	-57.2	-93.9	0	0	0	109.8	Q233 Y235 K341 Y342 V343 Y389	Q233-F387 HydrophobicContact CB-CD1 4.02Å; Q233-F387 HydrophobicContact CB-CE1 4.35Å; Q233-F387 CarbonylContact O-C 3.54Å; Q233-F387 WeakPolarHBondContact O-CA 3.46Å; Q233-F387 VanDerWaalsContact OE1-CE1 3.31Å; Y235-F387 AromaticContact CE2-CD1 3.93Å; Y235-F387 HydrophobicContact CE2-CD1 3.93Å; K341-F387 PolarHBondContact O-N 3.17Å; Y342-F387 WeakPolarHBondContact CA-O 3.47Å; Y342-F387 HydrophobicContact CD1-CB 3.7Å; Y342-F387 HydrophobicContact CD1-CD2 4.01Å; Y342-F387 HydrophobicContact CD1-CG 4.11Å; Y342-F387 HydrophobicContact CE1-CB 3.84Å; Y342-F387 AromaticContact CE1-CD2 3.43Å; Y342-F387 HydrophobicContact CE1-CD2 3.43Å; Y342-F387 VanDerWaalsContact CE1-CD2 3.43Å; Y342-F387 HydrophobicContact CE1-CE2 4.15Å; Y342-F387 AromaticContact CE1-CG 3.71Å; Y342-F387 HydrophobicContact CE1-CG 3.71Å; Y342-F387 AromaticContact CZ-CD2 3.79Å; V343-F387 PolarHBondContact N-O 2.82Å; F387-Y389 HydrophobicContact CB-CD2 4.46Å; F387-Y389 HydrophobicContact CB-CE2 3.89Å
388	C	97.4	Very high	91.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	115.6	174.1	-177.1	0	0	0	0	109.7	I232 Q233 I234 Y235 V343 A377	I232-C388 HydrophobicContact CG2-CB 3.95Å; Q233-C388 PolarHBondContact O-N 2.85Å; I234-C388 WeakPolarHBondContact CA-O 3.43Å; I234-C388 HydrophobicContact CG1-CB 4.36Å; Y235-C388 PolarHBondContact N-O 3.03Å; V343-C388 CarbonylContact O-C 3.6Å; V343-C388 WeakPolarHBondContact O-CA 3.31Å; A377-C388 HydrophobicContact CB-CB 3.93Å
389	Y	97.8	Very high	91.9	Very high	59 Å²	59	44.3 Å²	44.3	23%	0.231	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	108.2	175	-68.4	-97.7	0	0	0	108.9	Y235 I255 Y342 V343 I344 D345 F387	Y235-Y389 HydrophobicContact CD2-CE1 4.24Å; Y235-Y389 HydrophobicContact CG-CD1 4.42Å; Y235-Y389 HydrophobicContact CG-CE1 4.24Å; I255-Y389 HydrophobicContact CD1-CD2 3.69Å; I255-Y389 HydrophobicContact CD1-CE2 3.74Å; I255-Y389 HydrophobicContact CD1-CG 4.32Å; I255-Y389 HydrophobicContact CG1-CE2 4.2Å; Y342-Y389 AromaticContact CD1-CE2 3.9Å; Y342-Y389 HydrophobicContact CD1-CE2 3.9Å; Y342-Y389 HydrophobicContact CE1-CE2 4.3Å; V343-Y389 PolarHBondContact O-N 2.87Å; I344-Y389 WeakPolarHBondContact CA-O 3.2Å; D345-Y389 PolarHBondContact N-O 3.35Å; F387-Y389 HydrophobicContact CB-CD2 4.46Å; F387-Y389 HydrophobicContact CB-CE2 3.89Å
390	R	98.2	Very high	92.1	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	120.3	174.2	-69.9	175.8	169.6	177	-1.6	108.5	I234 Y235 Y236 T237 D345 A373 Y392 F397	I234-R390 HydrophobicContact CG2-CG 4.35Å; Y235-R390 WeakPolarHBondContact O-CB 3.42Å; Y235-R390 PolarHBondContact O-N 3.41Å; Y236-R390 HydrophobicContact CD1-CB 3.86Å; Y236-R390 HydrophobicContact CD1-CG 4.43Å; Y236-R390 HydrophobicContact CE1-CB 4.27Å; Y236-R390 HydrophobicContact CE1-CG 4.36Å; Y236-R390 PolarHBondContact OH-NH1 3.32Å; T237-R390 PolarHBondContact N-O 3Å; D345-R390 HydrophobicContact CB-CG 4.39Å; D345-R390 WeakPolarHBondContact O-CA 3.43Å; A373-R390 PolarHBondContact O-NH2 3.36Å; R390-Y392 HydrophobicContact CB-CD1 4.08Å; R390-Y392 HydrophobicContact CB-CD2 4.33Å; R390-Y392 HydrophobicContact CB-CE1 3.69Å; R390-Y392 HydrophobicContact CB-CE2 3.99Å; R390-Y392 HydrophobicContact CB-CG 4.39Å; R390-Y392 VanDerWaalsContact CD-OH 3.25Å; R390-Y392 WeakPolarHBondContact CD-OH 3.33Å; R390-Y392 HydrophobicContact CG-CE1 3.95Å; R390-Y392 HydrophobicContact CG-CE2 4.19Å; R390-Y392 WeakPolarHBondContact CG-OH 3.37Å; R390-Y392 PolarHBondContact NE-OH 3.43Å; R390-Y392 PolarHBondContact O-N 3.15Å; R390-F397 VanDerWaalsContact NH1-CZ 3.32Å
391	L	97.6	Very high	92.3	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	24%	0.24	C	C	.	.	S	Bend	trans	-82.1	29.9	-177.7	-53	-174.6	0	0	0	113	T237 Q241 A247 A248 S251 I344 D345 T346	T237-L391 HydrophobicContact CG2-CD2 4.5Å; Q241-L391 VanDerWaalsContact CG-O 3.32Å; Q241-L391 WeakPolarHBondContact CG-O 3.46Å; A247-L391 HydrophobicContact CB-CD1 4Å; A248-L391 HydrophobicContact CB-CD1 3.76Å; S251-L391 WeakPolarHBondContact OG-CD2 3.35Å; I344-L391 HydrophobicContact CG2-CD1 3.68Å; I344-L391 HydrophobicContact CG2-CD2 4.12Å; I344-L391 HydrophobicContact CG2-CG 3.91Å; D345-L391 PolarHBondContact O-N 2.89Å; T346-L391 HydrophobicContact CG2-CD1 4.06Å
392	Y	97.7	Very high	92.6	Very high	13 Å²	13	52.9 Å²	52.9	5%	0.051	27%	0.269	C	S	.	.	S	Bend	trans	-144	157.5	180	51	-88.7	0	0	0	108.3	Y236 T237 A373 R390 E396 F397 L400	Y236-Y392 WeakPolarHBondContact CB-O 3.37Å; Y236-Y392 HydrophobicContact CE1-CE2 4.37Å; T237-Y392 PolarHBondContact N-O 3.19Å; T237-Y392 WeakPolarHBondContact OG1-CA 3.3Å; T237-Y392 PolarHBondContact OG1-N 3.32Å; T237-Y392 PolarHBondContact OG1-O 3.14Å; A373-Y392 WeakPolarHBondContact CB-OH 3.47Å; R390-Y392 HydrophobicContact CB-CD1 4.08Å; R390-Y392 HydrophobicContact CB-CD2 4.33Å; R390-Y392 HydrophobicContact CB-CE1 3.69Å; R390-Y392 HydrophobicContact CB-CE2 3.99Å; R390-Y392 HydrophobicContact CB-CG 4.39Å; R390-Y392 VanDerWaalsContact CD-OH 3.25Å; R390-Y392 WeakPolarHBondContact CD-OH 3.33Å; R390-Y392 HydrophobicContact CG-CE1 3.95Å; R390-Y392 HydrophobicContact CG-CE2 4.19Å; R390-Y392 WeakPolarHBondContact CG-OH 3.37Å; R390-Y392 PolarHBondContact NE-OH 3.43Å; R390-Y392 PolarHBondContact O-N 3.15Å; Y392-E396 HydrophobicContact CD2-CB 4.44Å; Y392-F397 HydrophobicContact CD2-CB 4.2Å; Y392-F397 HydrophobicContact CE2-CB 3.8Å; Y392-F397 AromaticContact CE2-CD2 3.96Å; Y392-F397 HydrophobicContact CE2-CD2 3.96Å; Y392-F397 HydrophobicContact CE2-CG 4.33Å; Y392-L400 HydrophobicContact CE2-CD1 4.4Å
393	T	97.6	Very high	93.1	Very high	14 Å²	14	53.7 Å²	53.7	9%	0.086	28%	0.279	C	S	.	.			trans	-71.7	160.1	-177.4	62	0	0	0	0	111.8	T237 P240 Q395 E396 F397	T237-T393 WeakPolarHBondContact O-CA 3.5Å; T237-T393 WeakPolarHBondContact O-CG2 3.33Å; P240-T393 HydrophobicContact CG-CG2 4.11Å; T393-Q395 VanDerWaalsContact C-N 3.28Å; T393-Q395 PolarHBondContact O-N 3.33Å; T393-E396 PolarHBondContact N-OE2 3.38Å; T393-E396 WeakPolarHBondContact O-CB 3.26Å; T393-E396 PolarHBondContact O-N 3.05Å; T393-E396 VanDerWaalsContact O-N 3.16Å; T393-E396 WeakPolarHBondContact OG1-CB 3.23Å; T393-E396 WeakPolarHBondContact OG1-CG 3.37Å; T393-E396 PolarHBondContact OG1-N 2.97Å; T393-E396 VanDerWaalsContact OG1-N 3.14Å; T393-E396 PolarHBondContact OG1-OE2 2.88Å; T393-F397 PolarHBondContact O-N 2.84Å
394	E	96.6	Very high	93.6	Very high	114 Å²	114	51 Å²	51	53%	0.533	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-39	173.6	-171.9	165.4	-144	0	0	111.5	Y236 E396 F397 D398	Y236-E394 HydrophobicContact CD1-CB 4.27Å; Y236-E394 HydrophobicContact CD2-CB 3.9Å; Y236-E394 HydrophobicContact CD2-CG 4.21Å; Y236-E394 HydrophobicContact CE2-CB 4.15Å; Y236-E394 HydrophobicContact CE2-CG 3.97Å; Y236-E394 HydrophobicContact CG-CB 3.95Å; E394-E396 VanDerWaalsContact C-N 3.31Å; E394-E396 PolarHBondContact O-N 3.23Å; E394-F397 WeakPolarHBondContact O-CA 3.45Å; E394-F397 VanDerWaalsContact O-CB 3.27Å; E394-F397 WeakPolarHBondContact O-CB 3.38Å; E394-F397 PolarHBondContact O-N 3.28Å; E394-F397 VanDerWaalsContact O-N 3.08Å; E394-D398 PolarHBondContact O-N 3.31Å
395	Q	96.3	Very high	94	Very high	145 Å²	145	50.4 Å²	50.4	68%	0.678	27%	0.269	S	S	*	.	H	α-helix	trans	-60.6	-40	173.8	-171.9	-179	14.9	0	0	112.3	T393 F397 D398 N399	T393-Q395 VanDerWaalsContact C-N 3.28Å; T393-Q395 PolarHBondContact O-N 3.33Å; Q395-F397 VanDerWaalsContact C-N 3.32Å; Q395-D398 PolarHBondContact O-N 3.17Å; Q395-N399 PolarHBondContact O-N 3.11Å; Q395-N399 PolarHBondContact O-ND2 3.16Å; Q395-N399 VanDerWaalsContact O-ND2 3.14Å
396	E	96.2	Very high	94	Very high	27 Å²	27	49.3 Å²	49.3	13%	0.126	26%	0.259	C	S	.	.	H	α-helix	trans	-65.6	-36.7	174.7	-75.5	172.9	113.9	0	0	112.3	R367 Y392 T393 E394 N399 L400	R367-E396 IonicContact CZ-OE1 2.76Å; R367-E396 IonicContact NH1-OE1 3.64Å; R367-E396 PolarHBondContact NH1-OE1 3.09Å; R367-E396 IonicContact NH2-OE1 2.7Å; R367-E396 PolarHBondContact NH2-OE1 3.32Å; Y392-E396 HydrophobicContact CD2-CB 4.44Å; T393-E396 PolarHBondContact N-OE2 3.38Å; T393-E396 WeakPolarHBondContact O-CB 3.26Å; T393-E396 PolarHBondContact O-N 3.05Å; T393-E396 VanDerWaalsContact O-N 3.16Å; T393-E396 WeakPolarHBondContact OG1-CB 3.23Å; T393-E396 WeakPolarHBondContact OG1-CG 3.37Å; T393-E396 PolarHBondContact OG1-N 2.97Å; T393-E396 VanDerWaalsContact OG1-N 3.14Å; T393-E396 PolarHBondContact OG1-OE2 2.88Å; E394-E396 VanDerWaalsContact C-N 3.31Å; E394-E396 PolarHBondContact O-N 3.23Å; E396-N399 PolarHBondContact O-N 3.46Å; E396-L400 WeakPolarHBondContact O-CG 3.28Å; E396-L400 PolarHBondContact O-N 2.65Å
397	F	96.3	Very high	93.8	Very high	14 Å²	14	52.1 Å²	52.1	6%	0.061	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-45.8	173	178.3	-107.4	0	0	0	111.5	Y236 K370 A373 W374 R390 Y392 T393 E394 Q395 N399 L400	Y236-F397 HydrophobicContact CD1-CB 4.5Å; Y236-F397 HydrophobicContact CE1-CB 3.73Å; Y236-F397 HydrophobicContact CE1-CD1 4.42Å; Y236-F397 AromaticContact CE1-CG 3.99Å; Y236-F397 HydrophobicContact CE1-CG 3.99Å; K370-F397 HydrophobicContact CB-CE2 4.34Å; K370-F397 HydrophobicContact CB-CZ 4.37Å; K370-F397 HydrophobicContact CD-CZ 4.47Å; K370-F397 WeakPolarHBondContact CE-O 3.37Å; K370-F397 HydrophobicContact CG-CE2 4.17Å; K370-F397 HydrophobicContact CG-CZ 4.22Å; A373-F397 HydrophobicContact CB-CD2 4.42Å; A373-F397 HydrophobicContact CB-CE2 3.95Å; W374-F397 HydrophobicContact CZ2-CZ 4.24Å; W374-F397 AromaticContact NE1-CZ 3.67Å; R390-F397 VanDerWaalsContact NH1-CZ 3.32Å; Y392-F397 HydrophobicContact CD2-CB 4.2Å; Y392-F397 HydrophobicContact CE2-CB 3.8Å; Y392-F397 AromaticContact CE2-CD2 3.96Å; Y392-F397 HydrophobicContact CE2-CD2 3.96Å; Y392-F397 HydrophobicContact CE2-CG 4.33Å; T393-F397 PolarHBondContact O-N 2.84Å; E394-F397 WeakPolarHBondContact O-CA 3.45Å; E394-F397 VanDerWaalsContact O-CB 3.27Å; E394-F397 WeakPolarHBondContact O-CB 3.38Å; E394-F397 PolarHBondContact O-N 3.28Å; E394-F397 VanDerWaalsContact O-N 3.08Å; Q395-F397 VanDerWaalsContact C-N 3.32Å; F397-N399 PolarHBondContact O-N 2.79Å; F397-L400 HydrophobicContact CD2-CD1 3.92Å; F397-L400 VanDerWaalsContact O-CB 3.3Å; F397-L400 WeakPolarHBondContact O-CB 3.41Å; F397-L400 WeakPolarHBondContact O-CG 3.21Å; F397-L400 PolarHBondContact O-N 3.47Å
398	D	94.3	Very high	93.5	Very high	83 Å²	83	49.9 Å²	49.9	44%	0.444	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-31.5	-178	-72.9	-27.8	0	0	0	113	K370 E394 Q395 L400	K370-D398 WeakPolarHBondContact CE-O 3.42Å; K370-D398 PolarHBondContact NZ-O 3.44Å; E394-D398 PolarHBondContact O-N 3.31Å; Q395-D398 PolarHBondContact O-N 3.17Å; D398-L400 VanDerWaalsContact C-N 3.33Å
399	N	95.1	Very high	93.1	Very high	124 Å²	124	54.3 Å²	54.3	66%	0.663	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.2	176	-68.4	-31.6	0	0	0	114.2	Q395 E396 F397	Q395-N399 PolarHBondContact O-N 3.11Å; Q395-N399 PolarHBondContact O-ND2 3.16Å; Q395-N399 VanDerWaalsContact O-ND2 3.14Å; E396-N399 PolarHBondContact O-N 3.46Å; F397-N399 PolarHBondContact O-N 2.79Å
400	L	94.2	Very high	92.5	Very high	14 Å²	14	53.7 Å²	53.7	7%	0.073	28%	0.28	C	S	.	.	S	Bend	trans	-67.4	145.9	175.1	-61.5	-178.3	0	0	0	111	R367 V368 K370 Y392 E396 F397 D398	R367-L400 HydrophobicContact CB-CD2 3.9Å; R367-L400 HydrophobicContact CG-CD2 4.45Å; V368-L400 HydrophobicContact CG2-CD1 4.11Å; V368-L400 WeakPolarHBondContact O-CD2 3.41Å; K370-L400 VanDerWaalsContact CE-O 3.28Å; K370-L400 WeakPolarHBondContact CE-O 3.31Å; K370-L400 HydrophobicContact CG-CB 3.8Å; Y392-L400 HydrophobicContact CE2-CD1 4.4Å; E396-L400 WeakPolarHBondContact O-CG 3.28Å; E396-L400 PolarHBondContact O-N 2.65Å; F397-L400 HydrophobicContact CD2-CD1 3.92Å; F397-L400 VanDerWaalsContact O-CB 3.3Å; F397-L400 WeakPolarHBondContact O-CB 3.41Å; F397-L400 WeakPolarHBondContact O-CG 3.21Å; F397-L400 PolarHBondContact O-N 3.47Å; D398-L400 VanDerWaalsContact C-N 3.33Å
401	I	92.4	Very high	91.7	Very high	85 Å²	85	54.2 Å²	54.2	44%	0.436	28%	0.283	S	S	.	.			trans	-60.3	142.5	172.8	63.7	175.9	0	0	0	110.2	S369 K370 T403 V405	S369-I401 CarbonylContact C-O 3.58Å; S369-I401 WeakPolarHBondContact CA-O 3.47Å; S369-I401 WeakPolarHBondContact CB-O 3.11Å; K370-I401 PolarHBondContact N-O 2.97Å; I401-T403 WeakPolarHBondContact CD1-O 3.38Å; I401-T403 PolarHBondContact O-N 2.96Å; I401-V405 HydrophobicContact CD1-CG2 4.44Å
402	P	88.5	Confident	91.1	Very high	93 Å²	93	56.6 Å²	56.6	60%	0.604	30%	0.296	S	S	*	.	S	Bend	trans	-61.3	-46.8	-175.3	-25.7	34.7	0	0	0	113.7	A371	A371-P402 PolarHBondContact N-O 2.98Å
403	T	86.1	Confident	90.7	Very high	66 Å²	66	56.1 Å²	56.1	41%	0.405	29%	0.294	S	S	.	.	S	Bend	trans	-132	156.5	-176.4	53.4	0	0	0	0	110.3	D209 A371 I401	D209-T403 HydrophobicContact CB-CG2 4.48Å; A371-T403 HydrophobicContact CB-CG2 4.48Å; I401-T403 WeakPolarHBondContact CD1-O 3.38Å; I401-T403 PolarHBondContact O-N 2.96Å
404	T	86	Confident	90.3	Very high	47 Å²	47	55.5 Å²	55.5	29%	0.288	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-73.4	136.3	178.7	-56.9	0	0	0	0	110.1	S369 Q372	S369-T404 PolarHBondContact OG-N 3.48Å; S369-T404 PolarHBondContact OG-OG1 3.05Å; Q372-T404 WeakPolarHBondContact CG-OG1 3.42Å; Q372-T404 PolarHBondContact OE1-OG1 2.74Å
405	V	88.3	Confident	90	Very high	67 Å²	67	51.2 Å²	51.2	41%	0.406	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-62.3	126.4	175.8	-178.4	0	0	0	0	109.7	I401 Q409 R410	I401-V405 HydrophobicContact CD1-CG2 4.44Å; V405-Q409 HydrophobicContact CG1-CB 4.04Å; V405-R410 PolarHBondContact O-NE 3.42Å
406	P	88.8	Confident	89.7	Confident	13 Å²	13	44.7 Å²	44.7	8%	0.084	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-55.4	147.8	178.7	-29.3	37.9	0	0	0	113.3	R173 I408 Q409	R173-P406 HydrophobicContact CB-CB 3.99Å; R173-P406 HydrophobicContact CB-CG 4.26Å; P406-I408 VanDerWaalsContact C-N 3.27Å; P406-I408 HydrophobicContact CB-CG2 3.99Å; P406-I408 PolarHBondContact O-N 3.12Å; P406-Q409 PolarHBondContact O-N 2.78Å
407	E	88.4	Confident	89.4	Confident	60 Å²	60	43.4 Å²	43.4	28%	0.28	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-63	-32.3	-178.5	-70.1	-172.2	166.4	0	0	113.3	R173 T174 V175 Q409 R410 C411	R173-E407 PolarHBondContact O-N 3.45Å; T174-E407 WeakPolarHBondContact CA-OE2 3.44Å; T174-E407 WeakPolarHBondContact CB-OE2 3.33Å; V175-E407 HydrophobicContact CG2-CB 3.54Å; V175-E407 PolarHBondContact N-OE2 2.81Å; E407-Q409 PolarHBondContact O-N 3.4Å; E407-R410 CarbonylContact O-C 3.59Å; E407-R410 PolarHBondContact O-N 2.88Å; E407-C411 WeakPolarHBondContact O-CB 3.45Å; E407-C411 PolarHBondContact O-N 3.04Å; E407-C411 VanDerWaalsContact O-N 3.11Å
408	I	89.3	Confident	89.3	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-56.2	-24.4	177.3	-168.4	73.5	0	0	0	112.4	V175 V179 P406 L413 F433 S435 P437	V175-I408 HydrophobicContact CG1-CD1 3.67Å; V179-I408 HydrophobicContact CG2-CD1 4.39Å; P406-I408 VanDerWaalsContact C-N 3.27Å; P406-I408 HydrophobicContact CB-CG2 3.99Å; P406-I408 PolarHBondContact O-N 3.12Å; I408-L413 HydrophobicContact CD1-CD2 3.59Å; I408-L413 HydrophobicContact CG1-CD2 4.3Å; I408-F433 HydrophobicContact CD1-CD1 4.32Å; I408-F433 HydrophobicContact CD1-CE1 3.91Å; I408-F433 HydrophobicContact CG1-CD1 4.25Å; I408-F433 HydrophobicContact CG1-CE1 4.29Å; I408-S435 VanDerWaalsContact CG2-O 3.32Å; I408-S435 WeakPolarHBondContact CG2-O 3.1Å; I408-P437 HydrophobicContact CG1-CB 4.32Å; I408-P437 HydrophobicContact CG1-CG 4.26Å
409	Q	89.4	Confident	89.1	Confident	93 Å²	93	40.9 Å²	40.9	44%	0.435	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-94.9	-1.1	179.1	-65.5	-176.9	-32	0	0	113.9	V405 P406 E407 K436	V405-Q409 HydrophobicContact CG1-CB 4.04Å; P406-Q409 PolarHBondContact O-N 2.78Å; E407-Q409 PolarHBondContact O-N 3.4Å; Q409-K436 PolarHBondContact NE2-O 3.31Å
410	R	85	Confident	88.8	Confident	46 Å²	46	35 Å²	35	17%	0.174	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.2	16.4	-171.4	63.6	-177.4	173.1	105	2.1	114.9	K352 F354 V405 E407	K352-R410 PolarHBondContact O-NH1 3.1Å; K352-R410 VanDerWaalsContact O-NH1 3.12Å; F354-R410 WeakPolarHBondContact CB-O 3.31Å; F354-R410 PolarHBondContact N-O 3.08Å; V405-R410 PolarHBondContact O-NE 3.42Å; E407-R410 CarbonylContact O-C 3.59Å; E407-R410 PolarHBondContact O-N 2.88Å
411	C	82.7	Confident	88.6	Confident	12 Å²	12	35.1 Å²	35.1	8%	0.081	20%	0.196	C	C	.	.	S	Bend	trans	-133	162.8	-179.6	-67.7	0	0	0	0	111.4	V175 E407 L413	V175-C411 HydrophobicContact CG2-CB 4.05Å; E407-C411 WeakPolarHBondContact O-CB 3.45Å; E407-C411 PolarHBondContact O-N 3.04Å; E407-C411 VanDerWaalsContact O-N 3.11Å; C411-L413 PolarHBondContact O-N 3.44Å
412	N	83.3	Confident	88.6	Confident	58 Å²	58	32.2 Å²	32.2	31%	0.31	19%	0.185	S	C	.	.			trans	-66.3	128.4	172.8	-176.8	-18.2	0	0	0	110.9	F354 E361 A414	F354-N412 HydrophobicContact CD2-CB 4.22Å; F354-N412 HydrophobicContact CE2-CB 3.94Å; F354-N412 HydrophobicContact CZ-CB 4.2Å; E361-N412 PolarHBondContact OE1-N 2.98Å; N412-A414 WeakPolarHBondContact OD1-CB 3.13Å; N412-A414 PolarHBondContact OD1-N 3.49Å
413	L	89.3	Confident	88.5	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.01	16%	0.161	C	C	.	.			trans	-96.6	-7	-174.2	-57.3	-179	0	0	0	114.4	V175 I408 C411 G415 V416 M417 P437 A441 V442 A445	V175-L413 HydrophobicContact CG1-CD2 4.41Å; I408-L413 HydrophobicContact CD1-CD2 3.59Å; I408-L413 HydrophobicContact CG1-CD2 4.3Å; C411-L413 PolarHBondContact O-N 3.44Å; L413-G415 VanDerWaalsContact C-N 3.35Å; L413-G415 PolarHBondContact O-N 3.08Å; L413-V416 PolarHBondContact O-N 3.25Å; L413-M417 HydrophobicContact CB-CE 3.92Å; L413-M417 HydrophobicContact CB-CG 4.12Å; L413-M417 HydrophobicContact CD1-CE 3.87Å; L413-M417 HydrophobicContact CG-CE 4.4Å; L413-M417 WeakPolarHBondContact O-CG 3.32Å; L413-M417 PolarHBondContact O-N 3.2Å; L413-P437 HydrophobicContact CD1-CB 3.45Å; L413-P437 VanDerWaalsContact CD1-CB 3.45Å; L413-P437 HydrophobicContact CD1-CG 3.87Å; L413-A441 HydrophobicContact CD1-CB 4.08Å; L413-V442 HydrophobicContact CD1-CG2 4.21Å; L413-A445 HydrophobicContact CB-CB 3.8Å
414	A	90.1	Very high	88.4	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-54.1	-46.6	-172	0	0	0	0	0	113.1	N412 V416 M417 L418 A445 L449 P478	N412-A414 WeakPolarHBondContact OD1-CB 3.13Å; N412-A414 PolarHBondContact OD1-N 3.49Å; A414-V416 VanDerWaalsContact C-N 3.31Å; A414-V416 PolarHBondContact O-N 3.16Å; A414-M417 PolarHBondContact O-N 3.19Å; A414-L418 WeakPolarHBondContact O-CB 3.4Å; A414-L418 PolarHBondContact O-N 3.01Å; A414-A445 HydrophobicContact CB-CB 4.39Å; A414-L449 HydrophobicContact CB-CD2 4.4Å; A414-L449 HydrophobicContact CB-CG 4.37Å; A414-P478 HydrophobicContact CB-CG 4.45Å
415	G	90.4	Very high	88.3	Confident	24 Å²	24	27.9 Å²	27.9	25%	0.247	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-35.9	178.6	0	0	0	0	0	113.5	L413 Q419	L413-G415 VanDerWaalsContact C-N 3.35Å; L413-G415 PolarHBondContact O-N 3.08Å; G415-Q419 WeakPolarHBondContact O-CG 3.36Å; G415-Q419 PolarHBondContact O-N 3.39Å
416	V	89.1	Confident	87.3	Confident	9 Å²	9	30.2 Å²	30.2	6%	0.055	18%	0.182	C	C	.	.	H	α-helix	trans	-79.1	-38.4	-178.7	163.3	0	0	0	0	111.6	V175 V179 L413 A414 L418 Q419 L420	V175-V416 HydrophobicContact CB-CG2 4.48Å; V175-V416 HydrophobicContact CG1-CB 4.14Å; V175-V416 HydrophobicContact CG1-CG1 4.15Å; V175-V416 HydrophobicContact CG1-CG2 3.42Å; V175-V416 VanDerWaalsContact CG1-CG2 3.42Å; V179-V416 HydrophobicContact CB-CG1 4.46Å; V179-V416 HydrophobicContact CG1-CG1 4.46Å; V179-V416 HydrophobicContact CG2-CG1 3.27Å; L413-V416 PolarHBondContact O-N 3.25Å; A414-V416 VanDerWaalsContact C-N 3.31Å; A414-V416 PolarHBondContact O-N 3.16Å; V416-L418 VanDerWaalsContact C-N 3.3Å; V416-L418 PolarHBondContact O-N 3.14Å; V416-Q419 WeakPolarHBondContact O-CB 3.43Å; V416-Q419 PolarHBondContact O-N 3.15Å; V416-Q419 VanDerWaalsContact O-N 3.17Å; V416-L420 HydrophobicContact CG1-CD1 4.21Å; V416-L420 WeakPolarHBondContact O-CG 3.46Å; V416-L420 PolarHBondContact O-N 3.49Å
417	M	91.6	Very high	86.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-40.9	173.7	-65.3	-56.5	152.7	0	0	110.8	L413 A414 Q419 L420 M421 V428 F433 V442 A445 L449	L413-M417 HydrophobicContact CB-CE 3.92Å; L413-M417 HydrophobicContact CB-CG 4.12Å; L413-M417 HydrophobicContact CD1-CE 3.87Å; L413-M417 HydrophobicContact CG-CE 4.4Å; L413-M417 WeakPolarHBondContact O-CG 3.32Å; L413-M417 PolarHBondContact O-N 3.2Å; A414-M417 PolarHBondContact O-N 3.19Å; M417-Q419 VanDerWaalsContact C-N 3.32Å; M417-Q419 PolarHBondContact O-N 3.34Å; M417-L420 PolarHBondContact O-N 3.14Å; M417-L420 HydrophobicContact SD-CD1 4.07Å; M417-M421 VanDerWaalsContact O-CG 3.32Å; M417-M421 WeakPolarHBondContact O-CG 3.4Å; M417-M421 PolarHBondContact O-N 3.49Å; M417-V428 HydrophobicContact SD-CB 3.97Å; M417-V428 HydrophobicContact SD-CG2 4.29Å; M417-F433 HydrophobicContact CE-CZ 4.03Å; M417-V442 HydrophobicContact CE-CG1 4.15Å; M417-V442 HydrophobicContact CE-CG2 4.12Å; M417-V442 HydrophobicContact SD-CG1 4.02Å; M417-A445 HydrophobicContact CG-CB 4.08Å; M417-L449 HydrophobicContact CB-CD1 4.02Å
418	L	92.7	Very high	86.5	Confident	7 Å²	7	30.4 Å²	30.4	4%	0.037	19%	0.185	C	C	.	.	H	α-helix	trans	-58.7	-43.5	173	-178.6	62.5	0	0	0	111.9	A414 V416 A422 L449 A454 L464 M471 A472 P478	A414-L418 WeakPolarHBondContact O-CB 3.4Å; A414-L418 PolarHBondContact O-N 3.01Å; V416-L418 VanDerWaalsContact C-N 3.3Å; V416-L418 PolarHBondContact O-N 3.14Å; L418-A422 WeakPolarHBondContact O-CB 3.47Å; L418-A422 PolarHBondContact O-N 3.3Å; L418-L449 HydrophobicContact CB-CD1 4.11Å; L418-L449 HydrophobicContact CB-CD2 4.01Å; L418-L449 HydrophobicContact CD1-CD2 4.46Å; L418-L449 HydrophobicContact CD2-CD2 4.46Å; L418-A454 HydrophobicContact CD1-CB 4.21Å; L418-L464 HydrophobicContact CD1-CD1 3.51Å; L418-M471 HydrophobicContact CD2-CB 3.99Å; L418-A472 HydrophobicContact CD1-CB 4.45Å; L418-A472 HydrophobicContact CG-CB 4.14Å; L418-P478 HydrophobicContact CD2-CB 4.3Å; L418-P478 HydrophobicContact CD2-CG 4.02Å
419	Q	90.1	Very high	85.9	Confident	37 Å²	37	34.5 Å²	34.5	17%	0.173	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-43.8	177.2	-72.5	175.1	-2.5	0	0	112.4	I154 G415 V416 M417 A422 L423	I154-Q419 HydrophobicContact CD1-CG 4.36Å; G415-Q419 WeakPolarHBondContact O-CG 3.36Å; G415-Q419 PolarHBondContact O-N 3.39Å; V416-Q419 WeakPolarHBondContact O-CB 3.43Å; V416-Q419 PolarHBondContact O-N 3.15Å; V416-Q419 VanDerWaalsContact O-N 3.17Å; M417-Q419 VanDerWaalsContact C-N 3.32Å; M417-Q419 PolarHBondContact O-N 3.34Å; Q419-A422 PolarHBondContact O-N 3.45Å; Q419-L423 WeakPolarHBondContact O-CG 3.31Å; Q419-L423 PolarHBondContact O-N 3.11Å
420	L	89.9	Confident	85.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-44.6	176.8	-76.6	172.2	0	0	0	111.8	V179 V416 M417 A422 L423 I425 V428 F431 F433	V179-L420 HydrophobicContact CG1-CD2 3.73Å; V179-L420 HydrophobicContact CG1-CG 4.14Å; V416-L420 HydrophobicContact CG1-CD1 4.21Å; V416-L420 WeakPolarHBondContact O-CG 3.46Å; V416-L420 PolarHBondContact O-N 3.49Å; M417-L420 PolarHBondContact O-N 3.14Å; M417-L420 HydrophobicContact SD-CD1 4.07Å; L420-A422 VanDerWaalsContact C-N 3.34Å; L420-A422 PolarHBondContact O-N 2.91Å; L420-L423 HydrophobicContact CD2-CD1 4.46Å; L420-L423 WeakPolarHBondContact O-CB 3.37Å; L420-L423 PolarHBondContact O-N 3.49Å; L420-I425 HydrophobicContact CD2-CD1 3.51Å; L420-I425 WeakPolarHBondContact O-CB 3.36Å; L420-I425 PolarHBondContact O-N 3.34Å; L420-V428 HydrophobicContact CB-CG1 3.95Å; L420-F431 HydrophobicContact CD1-CD1 4.48Å; L420-F431 HydrophobicContact CD2-CD1 4.4Å; L420-F431 HydrophobicContact CD2-CD2 4.08Å; L420-F431 HydrophobicContact CD2-CE1 4.15Å; L420-F431 HydrophobicContact CD2-CE2 3.81Å; L420-F431 HydrophobicContact CD2-CG 4.34Å; L420-F431 HydrophobicContact CD2-CZ 3.81Å; L420-F433 HydrophobicContact CD1-CE1 4.24Å; L420-F433 HydrophobicContact CD1-CZ 3.75Å
421	M	90.3	Very high	85.8	Confident	16 Å²	16	33.9 Å²	33.9	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-65.4	-38.6	175.6	-67.6	176.6	-176.4	0	0	111.7	M417 L423 G424 V428 V446 V455 V462 L464	M417-M421 VanDerWaalsContact O-CG 3.32Å; M417-M421 WeakPolarHBondContact O-CG 3.4Å; M417-M421 PolarHBondContact O-N 3.49Å; M421-L423 VanDerWaalsContact C-N 3.26Å; M421-L423 PolarHBondContact O-N 3.28Å; M421-G424 PolarHBondContact O-N 2.97Å; M421-V428 HydrophobicContact CE-CB 4.5Å; M421-V428 HydrophobicContact CE-CG1 4Å; M421-V428 HydrophobicContact CE-CG2 3.7Å; M421-V428 HydrophobicContact CG-CG1 3.69Å; M421-V446 HydrophobicContact CE-CG2 4.12Å; M421-V455 HydrophobicContact CE-CG1 4.42Å; M421-V455 HydrophobicContact SD-CG1 3.49Å; M421-V455 WeakPolarHBondContact SD-CG1 3.42Å; M421-V462 HydrophobicContact CE-CB 4.25Å; M421-V462 HydrophobicContact CE-CG1 3.58Å; M421-V462 HydrophobicContact SD-CG1 4.17Å; M421-L464 HydrophobicContact CB-CB 4.4Å; M421-L464 HydrophobicContact CB-CD1 4.26Å
422	A	90.6	Very high	86.1	Confident	24 Å²	24	36.6 Å²	36.6	20%	0.198	22%	0.222	C	C	.	.	H	α-helix	trans	-65.9	-27	175.6	0	0	0	0	0	113.3	I154 L418 Q419 L420 G424 L464 A472	I154-A422 HydrophobicContact CG2-CB 4.19Å; L418-A422 WeakPolarHBondContact O-CB 3.47Å; L418-A422 PolarHBondContact O-N 3.3Å; Q419-A422 PolarHBondContact O-N 3.45Å; L420-A422 VanDerWaalsContact C-N 3.34Å; L420-A422 PolarHBondContact O-N 2.91Å; A422-G424 PolarHBondContact O-N 2.87Å; A422-L464 HydrophobicContact CB-CD2 4.09Å; A422-A472 HydrophobicContact CB-CB 3.52Å
423	L	87.8	Confident	86.4	Confident	22 Å²	22	34.4 Å²	34.4	12%	0.115	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-6.3	170.3	-73.3	163.3	0	0	0	113.2	A153 I154 V183 Q419 L420 M421 I425	A153-L423 HydrophobicContact CB-CD2 3.62Å; A153-L423 WeakPolarHBondContact O-CD2 3.4Å; I154-L423 HydrophobicContact CB-CD2 4.49Å; I154-L423 HydrophobicContact CG1-CD2 4.09Å; I154-L423 HydrophobicContact CG1-CG 4.14Å; V183-L423 HydrophobicContact CG2-CD1 3.7Å; Q419-L423 WeakPolarHBondContact O-CG 3.31Å; Q419-L423 PolarHBondContact O-N 3.11Å; L420-L423 HydrophobicContact CD2-CD1 4.46Å; L420-L423 WeakPolarHBondContact O-CB 3.37Å; L420-L423 PolarHBondContact O-N 3.49Å; M421-L423 VanDerWaalsContact C-N 3.26Å; M421-L423 PolarHBondContact O-N 3.28Å; L423-I425 HydrophobicContact CB-CD1 4.15Å; L423-I425 HydrophobicContact CB-CG1 4.35Å; L423-I425 HydrophobicContact CD1-CD1 4.4Å
424	G	84.1	Confident	86.4	Confident	60 Å²	60	35 Å²	35	62%	0.619	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	25.5	-176.7	0	0	0	0	0	113.2	M421 A422 P426	M421-G424 PolarHBondContact O-N 2.97Å; A422-G424 PolarHBondContact O-N 2.87Å; G424-P426 VanDerWaalsContact O-CD 3.24Å; G424-P426 WeakPolarHBondContact O-CD 3.49Å
425	I	83.4	Confident	86.3	Confident	34 Å²	34	36 Å²	36	17%	0.174	22%	0.219	C	C	.	.			trans	-84.9	107.7	171.8	-63.6	162.7	0	0	0	107.3	L420 L423 F431	L420-I425 HydrophobicContact CD2-CD1 3.51Å; L420-I425 WeakPolarHBondContact O-CB 3.36Å; L420-I425 PolarHBondContact O-N 3.34Å; L423-I425 HydrophobicContact CB-CD1 4.15Å; L423-I425 HydrophobicContact CB-CG1 4.35Å; L423-I425 HydrophobicContact CD1-CD1 4.4Å; I425-F431 HydrophobicContact CD1-CD2 3.79Å; I425-F431 HydrophobicContact CD1-CE2 3.52Å; I425-F431 HydrophobicContact CG2-CD2 4.01Å
426	P	66.8	Low	86.3	Confident	115 Å²	115	40.5 Å²	40.5	75%	0.747	23%	0.232	S	C	*	.	S	Bend	trans	-74.7	-31.3	-171.9	29.3	-34.1	0	0	0	112.3	G424	G424-P426 VanDerWaalsContact O-CD 3.24Å; G424-P426 WeakPolarHBondContact O-CD 3.49Å
427	D	79.5	Confident	86.3	Confident	70 Å²	70	40.7 Å²	40.7	37%	0.374	23%	0.233	S	C	.	.			trans	-113.7	88	-178.6	-170.3	-13.7	0	0	0	110.4	M429 N430 F431	D427-M429 PolarHBondContact O-N 3.38Å; D427-M429 WeakPolarHBondContact OD1-CB 3.26Å; D427-M429 PolarHBondContact OD1-N 2.85Å; D427-N430 PolarHBondContact OD1-N 3.08Å; D427-N430 WeakPolarHBondContact OD2-CB 3.24Å; D427-N430 PolarHBondContact OD2-ND2 3.31Å; D427-F431 PolarHBondContact O-N 3.03Å
428	V	80.5	Confident	86.2	Confident	7 Å²	7	43 Å²	43	4%	0.042	25%	0.25	C	C	.	.	S	Bend	trans	-69.5	-23	175.5	-64.1	0	0	0	0	112.7	M417 L420 M421 V442	M417-V428 HydrophobicContact SD-CB 3.97Å; M417-V428 HydrophobicContact SD-CG2 4.29Å; L420-V428 HydrophobicContact CB-CG1 3.95Å; M421-V428 HydrophobicContact CE-CB 4.5Å; M421-V428 HydrophobicContact CE-CG1 4Å; M421-V428 HydrophobicContact CE-CG2 3.7Å; M421-V428 HydrophobicContact CG-CG1 3.69Å; V428-V442 HydrophobicContact CG2-CG1 4.49Å
429	M	78.4	Confident	85.9	Confident	88 Å²	88	46 Å²	46	43%	0.433	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-38.6	-180	-61.6	-64.9	-64.2	0	0	110.9	D427 P439 V442	D427-M429 PolarHBondContact O-N 3.38Å; D427-M429 WeakPolarHBondContact OD1-CB 3.26Å; D427-M429 PolarHBondContact OD1-N 2.85Å; M429-P439 HydrophobicContact CE-CB 4.46Å; M429-V442 HydrophobicContact CE-CB 4.3Å; M429-V442 HydrophobicContact CE-CG1 4.42Å; M429-V442 HydrophobicContact SD-CB 3.75Å; M429-V442 HydrophobicContact SD-CG1 3.26Å; M429-V442 WeakPolarHBondContact SD-CG1 3.43Å
430	N	82.8	Confident	85.8	Confident	114 Å²	114	49 Å²	49	61%	0.61	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	14.6	179.1	-66.7	-56.3	0	0	0	113.8	D427	D427-N430 PolarHBondContact OD1-N 3.08Å; D427-N430 WeakPolarHBondContact OD2-CB 3.24Å; D427-N430 PolarHBondContact OD2-ND2 3.31Å
431	F	88.3	Confident	85.6	Confident	11 Å²	11	49.4 Å²	49.4	5%	0.048	29%	0.287	C	S	.	.			trans	-56.8	144.4	173.4	-179.1	-100	0	0	0	111.2	G182 V183 L420 I425 D427 F433	G182-F431 VanDerWaalsContact CA-CZ 3.49Å; V183-F431 HydrophobicContact CG2-CZ 4.33Å; L420-F431 HydrophobicContact CD1-CD1 4.48Å; L420-F431 HydrophobicContact CD2-CD1 4.4Å; L420-F431 HydrophobicContact CD2-CD2 4.08Å; L420-F431 HydrophobicContact CD2-CE1 4.15Å; L420-F431 HydrophobicContact CD2-CE2 3.81Å; L420-F431 HydrophobicContact CD2-CG 4.34Å; L420-F431 HydrophobicContact CD2-CZ 3.81Å; I425-F431 HydrophobicContact CD1-CD2 3.79Å; I425-F431 HydrophobicContact CD1-CE2 3.52Å; I425-F431 HydrophobicContact CG2-CD2 4.01Å; D427-F431 PolarHBondContact O-N 3.03Å; F431-F433 HydrophobicContact CB-CD2 4.12Å; F431-F433 HydrophobicContact CB-CE2 3.71Å; F431-F433 HydrophobicContact CB-CZ 4.15Å; F431-F433 AromaticContact CD1-CD1 3.6Å; F431-F433 HydrophobicContact CD1-CD1 3.6Å; F431-F433 AromaticContact CD1-CD2 3.75Å; F431-F433 HydrophobicContact CD1-CD2 3.75Å; F431-F433 AromaticContact CD1-CE1 3.46Å; F431-F433 HydrophobicContact CD1-CE1 3.46Å; F431-F433 VanDerWaalsContact CD1-CE1 3.46Å; F431-F433 AromaticContact CD1-CE2 3.63Å; F431-F433 HydrophobicContact CD1-CE2 3.63Å; F431-F433 AromaticContact CD1-CG 3.74Å; F431-F433 HydrophobicContact CD1-CG 3.74Å; F431-F433 AromaticContact CD1-CZ 3.47Å; F431-F433 HydrophobicContact CD1-CZ 3.47Å; F431-F433 VanDerWaalsContact CD1-CZ 3.47Å; F431-F433 AromaticContact CE1-CD1 3.89Å; F431-F433 HydrophobicContact CE1-CD1 3.89Å; F431-F433 AromaticContact CE1-CE1 3.82Å; F431-F433 HydrophobicContact CE1-CE1 3.82Å; F431-F433 HydrophobicContact CE1-CG 4.37Å; F431-F433 HydrophobicContact CE1-CZ 4.26Å; F431-F433 HydrophobicContact CG-CD2 4.44Å; F431-F433 HydrophobicContact CG-CE2 4.13Å; F431-F433 HydrophobicContact CG-CZ 4.18Å; F431-F433 WeakPolarHBondContact O-CD2 3.32Å; F431-F433 PolarHBondContact O-N 3.26Å
432	D	89.1	Confident	85.5	Confident	70 Å²	70	48.9 Å²	48.9	37%	0.374	29%	0.285	S	S	.	.			trans	-76	65.8	-175.1	-175.2	27.5	0	0	0	111.4	K185 Y216	K185-D432 VanDerWaalsContact CE-OD2 3.24Å; K185-D432 WeakPolarHBondContact CE-OD2 3.28Å; K185-D432 IonicContact NZ-OD1 3.82Å; K185-D432 IonicContact NZ-OD2 2.61Å; K185-D432 PolarHBondContact NZ-OD2 2.87Å; Y216-D432 WeakPolarHBondContact CE2-O 3.47Å; Y216-D432 PolarHBondContact OH-O 3.28Å
433	F	89.9	Confident	85.3	Confident	11 Å²	11	53.8 Å²	53.8	5%	0.048	30%	0.298	C	S	.	.			trans	-73.3	140.1	173.2	-64.5	-75.5	0	0	0	111	V179 I408 M417 L420 F431 S435 K436 P437	V179-F433 HydrophobicContact CG2-CE1 4.08Å; I408-F433 HydrophobicContact CD1-CD1 4.32Å; I408-F433 HydrophobicContact CD1-CE1 3.91Å; I408-F433 HydrophobicContact CG1-CD1 4.25Å; I408-F433 HydrophobicContact CG1-CE1 4.29Å; M417-F433 HydrophobicContact CE-CZ 4.03Å; L420-F433 HydrophobicContact CD1-CE1 4.24Å; L420-F433 HydrophobicContact CD1-CZ 3.75Å; F431-F433 HydrophobicContact CB-CD2 4.12Å; F431-F433 HydrophobicContact CB-CE2 3.71Å; F431-F433 HydrophobicContact CB-CZ 4.15Å; F431-F433 AromaticContact CD1-CD1 3.6Å; F431-F433 HydrophobicContact CD1-CD1 3.6Å; F431-F433 AromaticContact CD1-CD2 3.75Å; F431-F433 HydrophobicContact CD1-CD2 3.75Å; F431-F433 AromaticContact CD1-CE1 3.46Å; F431-F433 HydrophobicContact CD1-CE1 3.46Å; F431-F433 VanDerWaalsContact CD1-CE1 3.46Å; F431-F433 AromaticContact CD1-CE2 3.63Å; F431-F433 HydrophobicContact CD1-CE2 3.63Å; F431-F433 AromaticContact CD1-CG 3.74Å; F431-F433 HydrophobicContact CD1-CG 3.74Å; F431-F433 AromaticContact CD1-CZ 3.47Å; F431-F433 HydrophobicContact CD1-CZ 3.47Å; F431-F433 VanDerWaalsContact CD1-CZ 3.47Å; F431-F433 AromaticContact CE1-CD1 3.89Å; F431-F433 HydrophobicContact CE1-CD1 3.89Å; F431-F433 AromaticContact CE1-CE1 3.82Å; F431-F433 HydrophobicContact CE1-CE1 3.82Å; F431-F433 HydrophobicContact CE1-CG 4.37Å; F431-F433 HydrophobicContact CE1-CZ 4.26Å; F431-F433 HydrophobicContact CG-CD2 4.44Å; F431-F433 HydrophobicContact CG-CE2 4.13Å; F431-F433 HydrophobicContact CG-CZ 4.18Å; F431-F433 WeakPolarHBondContact O-CD2 3.32Å; F431-F433 PolarHBondContact O-N 3.26Å; F433-S435 VanDerWaalsContact C-N 3.29Å; F433-S435 PolarHBondContact O-N 3.03Å; F433-K436 HydrophobicContact CB-CG 4.17Å; F433-P437 HydrophobicContact CD2-CG 4.46Å; F433-P437 HydrophobicContact CE2-CG 4.27Å
434	M	88.9	Confident	85.3	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.079	30%	0.304	C	S	.	.	S	Bend	trans	-63.4	-36.9	171.2	-175.8	177.1	-179.9	0	0	112.1	F181 L212 F213 Y216	F181-M434 HydrophobicContact CD2-CB 4.13Å; F181-M434 HydrophobicContact CD2-SD 3.75Å; F181-M434 HydrophobicContact CE2-SD 3.57Å; F181-M434 VanDerWaalsContact CE2-SD 3.57Å; L212-M434 HydrophobicContact CB-CE 3.86Å; L212-M434 HydrophobicContact CD2-CE 3.52Å; L212-M434 HydrophobicContact CG-CE 3.36Å; L212-M434 HydrophobicContact CG-CG 4.4Å; F213-M434 HydrophobicContact CB-CE 4.34Å; F213-M434 HydrophobicContact CD1-CE 3.33Å; F213-M434 HydrophobicContact CD1-SD 3.76Å; F213-M434 HydrophobicContact CD2-CE 4.14Å; F213-M434 HydrophobicContact CE1-CE 3.46Å; F213-M434 VanDerWaalsContact CE1-CE 3.46Å; F213-M434 HydrophobicContact CE1-SD 3.62Å; F213-M434 HydrophobicContact CE2-CE 4.24Å; F213-M434 HydrophobicContact CG-CE 3.68Å; F213-M434 HydrophobicContact CZ-CE 3.92Å; F213-M434 HydrophobicContact CZ-SD 4.43Å; Y216-M434 HydrophobicContact CD1-CB 4.45Å; Y216-M434 HydrophobicContact CD2-CB 3.85Å; Y216-M434 HydrophobicContact CD2-CG 4.08Å; Y216-M434 VanDerWaalsContact CE2-CA 3.48Å; Y216-M434 HydrophobicContact CE2-CB 3.89Å; Y216-M434 HydrophobicContact CG-CB 4.12Å; Y216-M434 HydrophobicContact CG-CG 4.01Å
435	S	88.5	Confident	85.6	Confident	21 Å²	21	51.7 Å²	51.7	15%	0.147	28%	0.276	C	S	.	.	S	Bend	trans	-133.8	115.1	167.1	-58.5	0	0	0	0	108.3	R173 I408 F433	R173-S435 VanDerWaalsContact NH2-CB 3.33Å; R173-S435 PolarHBondContact NH2-OG 3.04Å; I408-S435 VanDerWaalsContact CG2-O 3.32Å; I408-S435 WeakPolarHBondContact CG2-O 3.1Å; F433-S435 VanDerWaalsContact C-N 3.29Å; F433-S435 PolarHBondContact O-N 3.03Å
436	K	89.5	Confident	85.9	Confident	119 Å²	119	50.4 Å²	50.4	52%	0.517	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-69.2	134.8	-174.6	-67.6	-175.4	176.7	-171.8	0	110.6	Q409 F433	Q409-K436 PolarHBondContact NE2-O 3.31Å; F433-K436 HydrophobicContact CB-CG 4.17Å
437	P	90.2	Very high	87	Confident	12 Å²	12	49 Å²	49	8%	0.078	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-63	162.7	165.5	27.9	-33.6	0	0	0	110.8	I408 L413 F433 V442	I408-P437 HydrophobicContact CG1-CB 4.32Å; I408-P437 HydrophobicContact CG1-CG 4.26Å; L413-P437 HydrophobicContact CD1-CB 3.45Å; L413-P437 VanDerWaalsContact CD1-CB 3.45Å; L413-P437 HydrophobicContact CD1-CG 3.87Å; F433-P437 HydrophobicContact CD2-CG 4.46Å; F433-P437 HydrophobicContact CE2-CG 4.27Å; P437-V442 HydrophobicContact CB-CG2 4.05Å; P437-V442 HydrophobicContact CG-CG2 3.5Å
438	S	88.6	Confident	87.4	Confident	50 Å²	50	47.6 Å²	47.6	35%	0.35	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-66.6	145.7	173.9	71.1	0	0	0	0	110.7	E440 A441 V442	S438-E440 WeakPolarHBondContact CB-OE2 3.43Å; S438-E440 PolarHBondContact O-N 2.83Å; S438-A441 PolarHBondContact O-N 2.92Å; S438-A441 VanDerWaalsContact O-N 3.09Å; S438-A441 WeakPolarHBondContact OG-CB 3.44Å; S438-A441 PolarHBondContact OG-N 3.2Å; S438-V442 PolarHBondContact O-N 3.11Å
439	P	87.5	Confident	88	Confident	68 Å²	68	47.2 Å²	47.2	44%	0.442	24%	0.242	S	C	.	.	H	α-helix	trans	-54.7	-34.6	176	-26.3	35.4	0	0	0	113.1	M429 V442 R443	M429-P439 HydrophobicContact CE-CB 4.46Å; P439-V442 PolarHBondContact O-N 3.2Å; P439-R443 WeakPolarHBondContact O-CB 3.38Å; P439-R443 PolarHBondContact O-N 3.27Å
440	E	86.3	Confident	88.7	Confident	100 Å²	100	46.4 Å²	46.4	47%	0.467	24%	0.237	S	C	.	.	H	α-helix	trans	-65.1	-43	177.7	-61	69.7	-146.1	0	0	111.4	S438 V442 R443 S444	S438-E440 WeakPolarHBondContact CB-OE2 3.43Å; S438-E440 PolarHBondContact O-N 2.83Å; E440-V442 VanDerWaalsContact C-N 3.35Å; E440-V442 PolarHBondContact O-N 3.2Å; E440-R443 PolarHBondContact O-N 3.09Å; E440-S444 WeakPolarHBondContact O-CB 3.13Å; E440-S444 PolarHBondContact O-N 3.24Å
441	A	86.4	Confident	89	Confident	10 Å²	10	44.2 Å²	44.2	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-38.5	178.3	0	0	0	0	0	111.9	L413 S438 A445	L413-A441 HydrophobicContact CD1-CB 4.08Å; S438-A441 PolarHBondContact O-N 2.92Å; S438-A441 VanDerWaalsContact O-N 3.09Å; S438-A441 WeakPolarHBondContact OG-CB 3.44Å; S438-A441 PolarHBondContact OG-N 3.2Å; A441-A445 WeakPolarHBondContact O-CB 3.3Å; A441-A445 PolarHBondContact O-N 2.97Å; A441-A445 VanDerWaalsContact O-N 3.08Å
442	V	88.3	Confident	89.3	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-69.1	-42.8	175.5	-171.9	0	0	0	0	110.9	L413 M417 V428 M429 P437 S438 P439 E440 A445 V446	L413-V442 HydrophobicContact CD1-CG2 4.21Å; M417-V442 HydrophobicContact CE-CG1 4.15Å; M417-V442 HydrophobicContact CE-CG2 4.12Å; M417-V442 HydrophobicContact SD-CG1 4.02Å; V428-V442 HydrophobicContact CG2-CG1 4.49Å; M429-V442 HydrophobicContact CE-CB 4.3Å; M429-V442 HydrophobicContact CE-CG1 4.42Å; M429-V442 HydrophobicContact SD-CB 3.75Å; M429-V442 HydrophobicContact SD-CG1 3.26Å; M429-V442 WeakPolarHBondContact SD-CG1 3.43Å; P437-V442 HydrophobicContact CB-CG2 4.05Å; P437-V442 HydrophobicContact CG-CG2 3.5Å; S438-V442 PolarHBondContact O-N 3.11Å; P439-V442 PolarHBondContact O-N 3.2Å; E440-V442 VanDerWaalsContact C-N 3.35Å; E440-V442 PolarHBondContact O-N 3.2Å; V442-A445 WeakPolarHBondContact O-CB 3.48Å; V442-A445 PolarHBondContact O-N 3.35Å; V442-V446 WeakPolarHBondContact O-CG2 3.44Å; V442-V446 PolarHBondContact O-N 3.4Å
443	R	87.5	Confident	89.5	Confident	127 Å²	127	41.9 Å²	41.9	48%	0.479	22%	0.22	S	C	.	.	H	α-helix	trans	-60.1	-49.2	177	-171.9	-173.9	-59.1	136.5	5.2	111.6	P439 E440 A445 V446 E447	P439-R443 WeakPolarHBondContact O-CB 3.38Å; P439-R443 PolarHBondContact O-N 3.27Å; E440-R443 PolarHBondContact O-N 3.09Å; R443-A445 VanDerWaalsContact C-N 3.29Å; R443-A445 PolarHBondContact O-N 2.99Å; R443-V446 PolarHBondContact O-N 3.28Å; R443-V446 VanDerWaalsContact O-N 3.12Å; R443-E447 HydrophobicContact CG-CG 4.46Å; R443-E447 WeakPolarHBondContact CG-OE1 3.37Å; R443-E447 WeakPolarHBondContact O-CG 3.45Å; R443-E447 PolarHBondContact O-N 3.04Å
444	S	87.3	Confident	89.7	Confident	36 Å²	36	41.3 Å²	41.3	25%	0.252	22%	0.217	S	C	.	.	H	α-helix	trans	-57.2	-41.8	176	173.9	0	0	0	0	111.8	E440 E447 H448	E440-S444 WeakPolarHBondContact O-CB 3.13Å; E440-S444 PolarHBondContact O-N 3.24Å; S444-E447 PolarHBondContact O-N 2.91Å; S444-H448 WeakPolarHBondContact O-CB 3.39Å; S444-H448 PolarHBondContact O-N 3.28Å
445	A	89.8	Confident	89.9	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-64.4	-39.9	175.8	0	0	0	0	0	113.1	L413 A414 M417 A441 V442 R443 L449	L413-A445 HydrophobicContact CB-CB 3.8Å; A414-A445 HydrophobicContact CB-CB 4.39Å; M417-A445 HydrophobicContact CG-CB 4.08Å; A441-A445 WeakPolarHBondContact O-CB 3.3Å; A441-A445 PolarHBondContact O-N 2.97Å; A441-A445 VanDerWaalsContact O-N 3.08Å; V442-A445 WeakPolarHBondContact O-CB 3.48Å; V442-A445 PolarHBondContact O-N 3.35Å; R443-A445 VanDerWaalsContact C-N 3.29Å; R443-A445 PolarHBondContact O-N 2.99Å; A445-L449 WeakPolarHBondContact O-CG 3.3Å; A445-L449 PolarHBondContact O-N 3.04Å; A445-L449 VanDerWaalsContact O-N 3.08Å
446	V	90.1	Very high	90	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-67.6	-44.9	175.8	169.9	0	0	0	0	111.2	M421 V442 R443 H448 L449 E450 V455 V462	M421-V446 HydrophobicContact CE-CG2 4.12Å; V442-V446 WeakPolarHBondContact O-CG2 3.44Å; V442-V446 PolarHBondContact O-N 3.4Å; R443-V446 PolarHBondContact O-N 3.28Å; R443-V446 VanDerWaalsContact O-N 3.12Å; V446-H448 VanDerWaalsContact C-N 3.3Å; V446-H448 PolarHBondContact O-N 3.13Å; V446-L449 PolarHBondContact O-N 2.96Å; V446-L449 VanDerWaalsContact O-N 3.11Å; V446-E450 WeakPolarHBondContact O-CB 3.49Å; V446-E450 PolarHBondContact O-N 3.35Å; V446-V455 HydrophobicContact CG1-CG2 4.42Å; V446-V462 HydrophobicContact CG1-CG1 3.88Å; V446-V462 HydrophobicContact CG1-CG2 3.88Å
447	E	88.8	Confident	89.9	Confident	85 Å²	85	45.1 Å²	45.1	40%	0.397	23%	0.229	S	C	.	.	H	α-helix	trans	-59.6	-41.1	176.4	-73.7	168.2	179.3	0	0	111.3	R443 S444 E450 L451	R443-E447 HydrophobicContact CG-CG 4.46Å; R443-E447 WeakPolarHBondContact CG-OE1 3.37Å; R443-E447 WeakPolarHBondContact O-CG 3.45Å; R443-E447 PolarHBondContact O-N 3.04Å; S444-E447 PolarHBondContact O-N 2.91Å; E447-E450 WeakPolarHBondContact O-CB 3.27Å; E447-E450 PolarHBondContact O-N 3.39Å; E447-L451 WeakPolarHBondContact O-CG 3.25Å; E447-L451 PolarHBondContact O-N 3.29Å
448	H	89.6	Confident	89.6	Confident	40 Å²	40	50.2 Å²	50.2	19%	0.185	25%	0.25	C	C	.	.	H	α-helix	trans	-61.7	-45.7	173	-173.1	169.3	0	0	0	111.5	S444 V446 E450 L451 L452 I604	S444-H448 WeakPolarHBondContact O-CB 3.39Å; S444-H448 PolarHBondContact O-N 3.28Å; V446-H448 VanDerWaalsContact C-N 3.3Å; V446-H448 PolarHBondContact O-N 3.13Å; H448-E450 VanDerWaalsContact C-N 3.26Å; H448-E450 PolarHBondContact O-N 2.69Å; H448-L451 PolarHBondContact O-N 3.28Å; H448-L452 WeakPolarHBondContact O-CG 3.25Å; H448-L452 PolarHBondContact O-N 3.07Å; H448-I604 VanDerWaalsContact CD2-CD1 3.43Å; H448-I604 WeakPolarHBondContact CD2-CD1 3.01Å
449	L	92.8	Very high	89.2	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-33.2	176.5	-70.4	174.9	0	0	0	112.6	A414 M417 L418 A445 V446 L452 G453 A454 V455 P478	A414-L449 HydrophobicContact CB-CD2 4.4Å; A414-L449 HydrophobicContact CB-CG 4.37Å; M417-L449 HydrophobicContact CB-CD1 4.02Å; L418-L449 HydrophobicContact CB-CD1 4.11Å; L418-L449 HydrophobicContact CB-CD2 4.01Å; L418-L449 HydrophobicContact CD1-CD2 4.46Å; L418-L449 HydrophobicContact CD2-CD2 4.46Å; A445-L449 WeakPolarHBondContact O-CG 3.3Å; A445-L449 PolarHBondContact O-N 3.04Å; A445-L449 VanDerWaalsContact O-N 3.08Å; V446-L449 PolarHBondContact O-N 2.96Å; V446-L449 VanDerWaalsContact O-N 3.11Å; L449-L452 PolarHBondContact O-N 3.09Å; L449-G453 PolarHBondContact O-N 3.16Å; L449-A454 HydrophobicContact CB-CB 4.21Å; L449-A454 HydrophobicContact CD2-CB 4.06Å; L449-A454 WeakPolarHBondContact O-CB 3.41Å; L449-A454 PolarHBondContact O-N 2.81Å; L449-V455 HydrophobicContact CB-CG1 4.07Å; L449-V455 HydrophobicContact CB-CG2 3.73Å; L449-V455 HydrophobicContact CD1-CG1 4.32Å; L449-V455 PolarHBondContact O-N 2.83Å; L449-P478 HydrophobicContact CD2-CB 3.95Å; L449-P478 HydrophobicContact CD2-CG 3.83Å
450	E	92	Very high	88.6	Confident	71 Å²	71	55.7 Å²	55.7	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-66.6	-46.3	176.3	-173.2	168.2	-164.4	0	0	110.5	V446 E447 H448 L452 G453 V455 R457	V446-E450 WeakPolarHBondContact O-CB 3.49Å; V446-E450 PolarHBondContact O-N 3.35Å; E447-E450 WeakPolarHBondContact O-CB 3.27Å; E447-E450 PolarHBondContact O-N 3.39Å; H448-E450 VanDerWaalsContact C-N 3.26Å; H448-E450 PolarHBondContact O-N 2.69Å; E450-L452 PolarHBondContact O-N 3.26Å; E450-G453 WeakPolarHBondContact O-CA 3.25Å; E450-G453 PolarHBondContact O-N 3.21Å; E450-V455 HydrophobicContact CB-CG2 3.98Å; E450-R457 IonicContact OE1-NE 3.4Å; E450-R457 IonicContact OE2-CZ 3.01Å; E450-R457 IonicContact OE2-NE 3.44Å; E450-R457 PolarHBondContact OE2-NE 2.9Å; E450-R457 IonicContact OE2-NH2 3.47Å; E450-R457 PolarHBondContact OE2-NH2 3.2Å; E450-R457 VanDerWaalsContact OE2-NH2 3.14Å
451	L	90.8	Very high	88.4	Confident	67 Å²	67	57 Å²	57	35%	0.351	30%	0.298	S	S	.	.	H	α-helix	trans	-58.7	-34.6	172.1	-69.2	175.8	0	0	0	112.5	E447 H448 G453 F603 I604 Y671	E447-L451 WeakPolarHBondContact O-CG 3.25Å; E447-L451 PolarHBondContact O-N 3.29Å; H448-L451 PolarHBondContact O-N 3.28Å; L451-G453 PolarHBondContact O-N 2.71Å; L451-F603 HydrophobicContact CB-CZ 4.27Å; L451-F603 WeakPolarHBondContact O-CZ 3.48Å; L451-I604 HydrophobicContact CB-CD1 3.89Å; L451-I604 HydrophobicContact CD1-CD1 4.15Å; L451-Y671 HydrophobicContact CD1-CD2 4.17Å; L451-Y671 HydrophobicContact CD1-CE2 3.85Å; L451-Y671 HydrophobicContact CD2-CD2 3.62Å; L451-Y671 HydrophobicContact CD2-CE2 4.17Å
452	L	92.7	Very high	88.4	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.8	175.1	-66.1	176	0	0	0	113.1	H448 L449 E450 M471 P478 K482 F603 I604	H448-L452 WeakPolarHBondContact O-CG 3.25Å; H448-L452 PolarHBondContact O-N 3.07Å; L449-L452 PolarHBondContact O-N 3.09Å; E450-L452 PolarHBondContact O-N 3.26Å; L452-M471 HydrophobicContact CB-CE 4.21Å; L452-M471 HydrophobicContact CD1-CE 4.29Å; L452-P478 HydrophobicContact CD1-CB 3.5Å; L452-P478 VanDerWaalsContact CD1-CB 3.5Å; L452-K482 HydrophobicContact CB-CD 4.14Å; L452-K482 HydrophobicContact CD2-CD 3.68Å; L452-K482 WeakPolarHBondContact O-CD 3.49Å; L452-K482 WeakPolarHBondContact O-CE 3.47Å; L452-K482 PolarHBondContact O-NZ 2.89Å; L452-F603 HydrophobicContact CD2-CE1 4.47Å; L452-I604 HydrophobicContact CD2-CD1 3.95Å; L452-I604 HydrophobicContact CG-CD1 4.21Å
453	G	93.3	Very high	88.5	Confident	30 Å²	30	61.4 Å²	61.4	31%	0.309	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	14.1	-173.8	0	0	0	0	0	113.1	L449 E450 L451 T465	L449-G453 PolarHBondContact O-N 3.16Å; E450-G453 WeakPolarHBondContact O-CA 3.25Å; E450-G453 PolarHBondContact O-N 3.21Å; L451-G453 PolarHBondContact O-N 2.71Å; G453-T465 PolarHBondContact O-OG1 3.02Å
454	A	94.7	Very high	88.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-76.7	-29.4	179.6	0	0	0	0	0	111.9	L418 L449 L464 T465 G468 M471	L418-A454 HydrophobicContact CD1-CB 4.21Å; L449-A454 HydrophobicContact CB-CB 4.21Å; L449-A454 HydrophobicContact CD2-CB 4.06Å; L449-A454 WeakPolarHBondContact O-CB 3.41Å; L449-A454 PolarHBondContact O-N 2.81Å; A454-L464 WeakPolarHBondContact O-CD1 3.34Å; A454-T465 PolarHBondContact O-N 3.04Å; A454-T465 PolarHBondContact O-OG1 2.88Å; A454-T465 VanDerWaalsContact O-OG1 3.1Å; A454-G468 WeakPolarHBondContact O-CA 3.49Å; A454-M471 HydrophobicContact CB-CE 3.82Å; A454-M471 HydrophobicContact CB-SD 3.61Å
455	V	93.5	Very high	89.1	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.7	178.2	-57.2	0	0	0	0	110.4	M421 V446 L449 E450 V462 L463 L464	M421-V455 HydrophobicContact CE-CG1 4.42Å; M421-V455 HydrophobicContact SD-CG1 3.49Å; M421-V455 WeakPolarHBondContact SD-CG1 3.42Å; V446-V455 HydrophobicContact CG1-CG2 4.42Å; L449-V455 HydrophobicContact CB-CG1 4.07Å; L449-V455 HydrophobicContact CB-CG2 3.73Å; L449-V455 HydrophobicContact CD1-CG1 4.32Å; L449-V455 PolarHBondContact O-N 2.83Å; E450-V455 HydrophobicContact CB-CG2 3.98Å; V455-V462 HydrophobicContact CB-CG1 3.77Å; V455-V462 HydrophobicContact CG1-CG1 4.16Å; V455-V462 HydrophobicContact CG2-CG1 3.92Å; V455-L463 CarbonylContact C-O 3.59Å; V455-L463 WeakPolarHBondContact CA-O 3.42Å; V455-L463 WeakPolarHBondContact CB-O 3.38Å; V455-L464 HydrophobicContact CG1-CD1 4.35Å
456	E	91.4	Very high	89.3	Confident	99 Å²	99	59.8 Å²	59.8	46%	0.463	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.7	173.1	65.6	-175.8	178.3	0	0	109.9	L463 T465	E456-L463 HydrophobicContact CG-CB 4.32Å; E456-L463 PolarHBondContact N-O 3.37Å; E456-L463 PolarHBondContact O-N 3.11Å; E456-T465 HydrophobicContact CB-CG2 3.98Å; E456-T465 HydrophobicContact CG-CG2 4Å
457	R	87.5	Confident	89.5	Confident	132 Å²	132	62 Å²	62	50%	0.498	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.7	173.1	-64.2	-175.7	-165.2	-155.3	2.8	109.5	E450 Q461	E450-R457 IonicContact OE1-NE 3.4Å; E450-R457 IonicContact OE2-CZ 3.01Å; E450-R457 IonicContact OE2-NE 3.44Å; E450-R457 PolarHBondContact OE2-NE 2.9Å; E450-R457 IonicContact OE2-NH2 3.47Å; E450-R457 PolarHBondContact OE2-NH2 3.2Å; E450-R457 VanDerWaalsContact OE2-NH2 3.14Å; R457-Q461 WeakPolarHBondContact CA-O 3.39Å
458	K	83.8	Confident	89.8	Confident	119 Å²	119	58 Å²	58	52%	0.517	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128	175.5	-167.8	177.9	178.2	177.4	0	109.6	G460 Q461 L463	K458-G460 PolarHBondContact O-N 2.86Å; K458-G460 VanDerWaalsContact O-N 3.13Å; K458-Q461 PolarHBondContact N-O 3.12Å; K458-Q461 PolarHBondContact O-N 2.87Å; K458-L463 HydrophobicContact CB-CD1 3.95Å; K458-L463 HydrophobicContact CD-CD1 4.34Å
459	D	79.1	Confident	90	Very high	150 Å²	150	62.3 Å²	62.3	80%	0.802	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	34.6	178.8	-52.8	-41.9	0	0	0	113.8	Q461	D459-Q461 PolarHBondContact O-N 2.85Å
460	G	75.7	Confident	90.1	Very high	84 Å²	84	66.4 Å²	66.4	87%	0.866	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	1.5	-177.3	0	0	0	0	0	115.2	K458	K458-G460 PolarHBondContact O-N 2.86Å; K458-G460 VanDerWaalsContact O-N 3.13Å
461	Q	80.6	Confident	90.3	Very high	127 Å²	127	63.1 Å²	63.1	59%	0.593	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	148.3	175	-62.7	-173.7	-0.9	0	0	111.5	R457 K458 D459	R457-Q461 WeakPolarHBondContact CA-O 3.39Å; K458-Q461 PolarHBondContact N-O 3.12Å; K458-Q461 PolarHBondContact O-N 2.87Å; D459-Q461 PolarHBondContact O-N 2.85Å
462	V	87	Confident	90.5	Very high	40 Å²	40	60.4 Å²	60.4	24%	0.242	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.4	175.8	-177	0	0	0	0	108.3	M421 V446 V455	M421-V462 HydrophobicContact CE-CB 4.25Å; M421-V462 HydrophobicContact CE-CG1 3.58Å; M421-V462 HydrophobicContact SD-CG1 4.17Å; V446-V462 HydrophobicContact CG1-CG1 3.88Å; V446-V462 HydrophobicContact CG1-CG2 3.88Å; V455-V462 HydrophobicContact CB-CG1 3.77Å; V455-V462 HydrophobicContact CG1-CG1 4.16Å; V455-V462 HydrophobicContact CG2-CG1 3.92Å
463	L	89.9	Confident	90.4	Very high	68 Å²	68	62.6 Å²	62.6	36%	0.356	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.6	-177.3	-61.5	179.5	0	0	0	111.1	V455 E456 K458	V455-L463 CarbonylContact C-O 3.59Å; V455-L463 WeakPolarHBondContact CA-O 3.42Å; V455-L463 WeakPolarHBondContact CB-O 3.38Å; E456-L463 HydrophobicContact CG-CB 4.32Å; E456-L463 PolarHBondContact N-O 3.37Å; E456-L463 PolarHBondContact O-N 3.11Å; K458-L463 HydrophobicContact CB-CD1 3.95Å; K458-L463 HydrophobicContact CD-CD1 4.34Å
464	L	92.9	Very high	90.3	Very high	31 Å²	31	61.5 Å²	61.5	16%	0.162	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.1	177.4	-171.5	70.9	0	0	0	110.6	L418 M421 A422 A454 V455 K469	L418-L464 HydrophobicContact CD1-CD1 3.51Å; M421-L464 HydrophobicContact CB-CB 4.4Å; M421-L464 HydrophobicContact CB-CD1 4.26Å; A422-L464 HydrophobicContact CB-CD2 4.09Å; A454-L464 WeakPolarHBondContact O-CD1 3.34Å; V455-L464 HydrophobicContact CG1-CD1 4.35Å; L464-K469 HydrophobicContact CD2-CB 4.42Å; L464-K469 HydrophobicContact CD2-CG 3.52Å; L464-K469 HydrophobicContact CG-CG 3.95Å
465	T	95	Very high	90.1	Very high	23 Å²	23	62.2 Å²	62.2	14%	0.141	34%	0.335	C	S	.	.			trans	-74	169.8	-179.8	70.8	0	0	0	0	111.8	G453 A454 E456 L467 G468 K469	G453-T465 PolarHBondContact O-OG1 3.02Å; A454-T465 PolarHBondContact O-N 3.04Å; A454-T465 PolarHBondContact O-OG1 2.88Å; A454-T465 VanDerWaalsContact O-OG1 3.1Å; E456-T465 HydrophobicContact CB-CG2 3.98Å; E456-T465 HydrophobicContact CG-CG2 4Å; T465-L467 PolarHBondContact O-N 2.98Å; T465-L467 PolarHBondContact OG1-N 2.87Å; T465-G468 PolarHBondContact O-N 2.99Å; T465-G468 PolarHBondContact OG1-N 2.84Å; T465-K469 WeakPolarHBondContact O-CG 3.32Å; T465-K469 PolarHBondContact O-N 2.83Å
466	A	94.1	Very high	90	Very high	77 Å²	77	63 Å²	63	64%	0.636	34%	0.339	S	S	*	.	H	α-helix	trans	-59.4	-38	170.9	0	0	0	0	0	111.9	R470	A466-R470 WeakPolarHBondContact O-CG 3.5Å; A466-R470 PolarHBondContact O-N 3.28Å
467	L	95.1	Very high	89.9	Confident	53 Å²	53	62.7 Å²	62.7	28%	0.277	34%	0.337	S	S	.	.	H	α-helix	trans	-63.5	-47.1	173.4	-179.4	65	0	0	0	110.7	T465 K469 R470 M471 L485	T465-L467 PolarHBondContact O-N 2.98Å; T465-L467 PolarHBondContact OG1-N 2.87Å; L467-K469 VanDerWaalsContact C-N 3.34Å; L467-K469 PolarHBondContact O-N 2.85Å; L467-R470 WeakPolarHBondContact O-CB 3.44Å; L467-R470 PolarHBondContact O-N 2.77Å; L467-R470 VanDerWaalsContact O-N 3.08Å; L467-M471 HydrophobicContact CD1-CG 4.5Å; L467-M471 HydrophobicContact CD2-SD 4.34Å; L467-M471 HydrophobicContact CG-CG 4.35Å; L467-M471 HydrophobicContact CG-SD 3.87Å; L467-M471 VanDerWaalsContact O-CG 3.32Å; L467-M471 WeakPolarHBondContact O-CG 3.48Å; L467-M471 PolarHBondContact O-N 3.31Å; L467-L485 HydrophobicContact CD1-CB 4.33Å; L467-L485 HydrophobicContact CD1-CD1 3.88Å
468	G	95.2	Very high	90.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.7	-41.7	177.2	0	0	0	0	0	113.6	A454 T465 R470 M471 A472	A454-G468 WeakPolarHBondContact O-CA 3.49Å; T465-G468 PolarHBondContact O-N 2.99Å; T465-G468 PolarHBondContact OG1-N 2.84Å; G468-R470 VanDerWaalsContact C-N 3.34Å; G468-R470 PolarHBondContact O-N 3.04Å; G468-M471 PolarHBondContact O-N 3.2Å; G468-A472 WeakPolarHBondContact O-CB 3.36Å; G468-A472 PolarHBondContact O-N 2.95Å
469	K	93.7	Very high	90.6	Very high	131 Å²	131	52.6 Å²	52.6	57%	0.57	30%	0.297	S	S	*	.	H	α-helix	trans	-59.8	-42.4	173.9	-71.7	175.3	-174.9	177.1	0	112.1	L464 T465 L467 S473	L464-K469 HydrophobicContact CD2-CB 4.42Å; L464-K469 HydrophobicContact CD2-CG 3.52Å; L464-K469 HydrophobicContact CG-CG 3.95Å; T465-K469 WeakPolarHBondContact O-CG 3.32Å; T465-K469 PolarHBondContact O-N 2.83Å; L467-K469 VanDerWaalsContact C-N 3.34Å; L467-K469 PolarHBondContact O-N 2.85Å; K469-S473 PolarHBondContact O-N 2.93Å; K469-S473 PolarHBondContact O-OG 3.18Å
470	R	95.1	Very high	91.3	Very high	87 Å²	87	46 Å²	46	33%	0.328	26%	0.261	S	S	.	.	H	α-helix	trans	-67.6	-41.1	175.5	-65	176.9	80.4	-167.6	9.5	111.2	A466 L467 G468 A472 S473 F474 L485 L580	A466-R470 WeakPolarHBondContact O-CG 3.5Å; A466-R470 PolarHBondContact O-N 3.28Å; L467-R470 WeakPolarHBondContact O-CB 3.44Å; L467-R470 PolarHBondContact O-N 2.77Å; L467-R470 VanDerWaalsContact O-N 3.08Å; G468-R470 VanDerWaalsContact C-N 3.34Å; G468-R470 PolarHBondContact O-N 3.04Å; R470-A472 PolarHBondContact O-N 3.37Å; R470-S473 VanDerWaalsContact O-CB 3.25Å; R470-S473 WeakPolarHBondContact O-CB 3.49Å; R470-S473 PolarHBondContact O-N 3.04Å; R470-S473 VanDerWaalsContact O-N 3.15Å; R470-F474 VanDerWaalsContact O-CD2 3.32Å; R470-F474 WeakPolarHBondContact O-CD2 3.37Å; R470-L485 HydrophobicContact CB-CD1 3.88Å; R470-L485 HydrophobicContact CB-CD2 3.93Å; R470-L580 HydrophobicContact CB-CD1 4.48Å; R470-L580 PolarHBondContact NH2-O 3.13Å; R470-L580 VanDerWaalsContact NH2-O 3.17Å
471	M	96	Very high	92.3	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-45.2	176.9	-69	166.4	68.5	0	0	111.8	L418 L452 A454 L467 G468 S473 F474 P478 A481 K482 L485	L418-M471 HydrophobicContact CD2-CB 3.99Å; L452-M471 HydrophobicContact CB-CE 4.21Å; L452-M471 HydrophobicContact CD1-CE 4.29Å; A454-M471 HydrophobicContact CB-CE 3.82Å; A454-M471 HydrophobicContact CB-SD 3.61Å; L467-M471 HydrophobicContact CD1-CG 4.5Å; L467-M471 HydrophobicContact CD2-SD 4.34Å; L467-M471 HydrophobicContact CG-CG 4.35Å; L467-M471 HydrophobicContact CG-SD 3.87Å; L467-M471 VanDerWaalsContact O-CG 3.32Å; L467-M471 WeakPolarHBondContact O-CG 3.48Å; L467-M471 PolarHBondContact O-N 3.31Å; G468-M471 PolarHBondContact O-N 3.2Å; M471-S473 PolarHBondContact O-N 3.36Å; M471-S473 VanDerWaalsContact O-N 3.12Å; M471-F474 PolarHBondContact O-N 3.43Å; M471-P478 HydrophobicContact CE-CB 3.69Å; M471-P478 VanDerWaalsContact CE-O 3.24Å; M471-P478 WeakPolarHBondContact CE-O 3.43Å; M471-A481 HydrophobicContact CB-CB 3.99Å; M471-A481 HydrophobicContact CG-CB 4.17Å; M471-K482 HydrophobicContact CE-CB 4.17Å; M471-L485 HydrophobicContact CB-CD1 4.38Å; M471-L485 HydrophobicContact CG-CD1 3.56Å
472	A	93.4	Very high	93	Very high	10 Å²	10	37.1 Å²	37.1	8%	0.083	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-18.6	178.3	0	0	0	0	0	113.8	L418 A422 G468 R470 F474	L418-A472 HydrophobicContact CD1-CB 4.45Å; L418-A472 HydrophobicContact CG-CB 4.14Å; A422-A472 HydrophobicContact CB-CB 3.52Å; G468-A472 WeakPolarHBondContact O-CB 3.36Å; G468-A472 PolarHBondContact O-N 2.95Å; R470-A472 PolarHBondContact O-N 3.37Å; A472-F474 VanDerWaalsContact C-N 3.25Å; A472-F474 PolarHBondContact O-N 3.36Å
473	S	91.3	Very high	93.5	Very high	48 Å²	48	35.3 Å²	35.3	34%	0.336	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-20	175.3	-58.9	0	0	0	0	112.5	R151 K469 R470 M471	R151-S473 PolarHBondContact NH2-O 2.96Å; K469-S473 PolarHBondContact O-N 2.93Å; K469-S473 PolarHBondContact O-OG 3.18Å; R470-S473 VanDerWaalsContact O-CB 3.25Å; R470-S473 WeakPolarHBondContact O-CB 3.49Å; R470-S473 PolarHBondContact O-N 3.04Å; R470-S473 VanDerWaalsContact O-N 3.15Å; M471-S473 PolarHBondContact O-N 3.36Å; M471-S473 VanDerWaalsContact O-N 3.12Å
474	F	92.1	Very high	93.9	Very high	6 Å²	6	32 Å²	32	3%	0.026	17%	0.168	C	C	.	.	S	Bend	trans	-89.9	139.3	176.9	-65.7	-87.3	0	0	0	111.3	R470 M471 A472 L476 A481 I484 L485 L573 I576 L580 L582	R470-F474 VanDerWaalsContact O-CD2 3.32Å; R470-F474 WeakPolarHBondContact O-CD2 3.37Å; M471-F474 PolarHBondContact O-N 3.43Å; A472-F474 VanDerWaalsContact C-N 3.25Å; A472-F474 PolarHBondContact O-N 3.36Å; F474-L476 HydrophobicContact CB-CB 4.22Å; F474-L476 HydrophobicContact CB-CD1 4.11Å; F474-L476 HydrophobicContact CB-CG 4.15Å; F474-L476 HydrophobicContact CD1-CD1 4.35Å; F474-L476 PolarHBondContact O-N 3.03Å; F474-A481 HydrophobicContact CB-CB 4.01Å; F474-A481 HydrophobicContact CD2-CB 4.02Å; F474-A481 HydrophobicContact CG-CB 4.25Å; F474-I484 HydrophobicContact CD1-CD1 4.36Å; F474-I484 HydrophobicContact CE1-CD1 4.34Å; F474-I484 HydrophobicContact CE1-CG2 3.95Å; F474-I484 HydrophobicContact CZ-CG2 3.93Å; F474-L485 HydrophobicContact CE2-CD1 4.16Å; F474-L485 HydrophobicContact CE2-CD2 3.99Å; F474-L485 HydrophobicContact CE2-CG 3.92Å; F474-L485 HydrophobicContact CZ-CD2 4.48Å; F474-L573 HydrophobicContact CD1-CD2 3.98Å; F474-I576 HydrophobicContact CD1-CB 4.32Å; F474-I576 HydrophobicContact CD1-CD1 4.35Å; F474-I576 HydrophobicContact CD1-CG2 3.78Å; F474-I576 HydrophobicContact CE1-CB 4.03Å; F474-I576 HydrophobicContact CE1-CG2 3.54Å; F474-I576 HydrophobicContact CE2-CG2 4.34Å; F474-I576 HydrophobicContact CG-CG2 4.3Å; F474-I576 HydrophobicContact CZ-CG2 3.85Å; F474-L580 HydrophobicContact CD2-CD1 4.46Å; F474-L580 HydrophobicContact CE2-CD1 3.54Å; F474-L580 HydrophobicContact CZ-CD1 3.72Å; F474-L582 HydrophobicContact CZ-CD1 4.34Å
475	P	89.3	Confident	94.1	Very high	15 Å²	15	31 Å²	31	10%	0.097	16%	0.163	C	C	.	.	S	Bend	trans	-83.1	58.4	172.3	37.1	-32.1	0	0	0	109	R130 F131 R151	R130-P475 HydrophobicContact CG-CB 4.35Å; R130-P475 PolarHBondContact NE-O 3.5Å; R130-P475 PolarHBondContact NH2-O 3.49Å; F131-P475 HydrophobicContact CD1-CG 4.46Å; F131-P475 HydrophobicContact CE1-CG 3.6Å; F131-P475 HydrophobicContact CZ-CG 3.97Å; R151-P475 VanDerWaalsContact NH1-CB 3.26Å
476	L	90.8	Very high	94.2	Very high	20 Å²	20	31.7 Å²	31.7	11%	0.105	17%	0.166	C	C	.	.	S	Bend	trans	-136.1	165.5	-173.5	-64.1	175.8	0	0	0	110.1	F131 F474 I484 V500 L573	F131-L476 HydrophobicContact CZ-CD2 4.07Å; F474-L476 HydrophobicContact CB-CB 4.22Å; F474-L476 HydrophobicContact CB-CD1 4.11Å; F474-L476 HydrophobicContact CB-CG 4.15Å; F474-L476 HydrophobicContact CD1-CD1 4.35Å; F474-L476 PolarHBondContact O-N 3.03Å; L476-I484 HydrophobicContact CD1-CD1 3.42Å; L476-I484 VanDerWaalsContact CD1-CD1 3.42Å; L476-V500 HydrophobicContact CD1-CG1 3.79Å; L476-V500 HydrophobicContact CD2-CG1 4.06Å; L476-L573 HydrophobicContact CD1-CD1 4.29Å; L476-L573 HydrophobicContact CD1-CD2 3.76Å; L476-L573 HydrophobicContact CD2-CD2 4.3Å; L476-L573 HydrophobicContact CG-CD2 4.07Å
477	E	89.3	Confident	94.3	Very high	94 Å²	94	28.1 Å²	28.1	44%	0.439	14%	0.136	S	C	.	.			trans	-62.5	147.7	164.4	-67.8	-177.8	172.6	0	0	110.3	R479 Y480 A481	E477-R479 VanDerWaalsContact C-N 3.28Å; E477-R479 HydrophobicContact CB-CG 4.3Å; E477-R479 PolarHBondContact O-N 3.38Å; E477-R479 VanDerWaalsContact O-N 3.16Å; E477-R479 IonicContact OE2-CZ 2.65Å; E477-R479 IonicContact OE2-NE 2.97Å; E477-R479 PolarHBondContact OE2-NE 3.47Å; E477-R479 IonicContact OE2-NH2 3.55Å; E477-R479 PolarHBondContact OE2-NH2 3.41Å; E477-Y480 HydrophobicContact CB-CD2 3.92Å; E477-Y480 HydrophobicContact CB-CE2 4.3Å; E477-Y480 HydrophobicContact CG-CE2 4.49Å; E477-Y480 PolarHBondContact O-N 3.3Å; E477-Y480 VanDerWaalsContact O-N 3.08Å; E477-A481 PolarHBondContact O-N 3.36Å; E477-A481 VanDerWaalsContact O-N 3.17Å
478	P	93.4	Very high	94.4	Very high	8 Å²	8	26.7 Å²	26.7	5%	0.052	13%	0.13	C	C	.	.	H	α-helix	trans	-49.8	-44.5	-176.5	-31.5	37.2	0	0	0	113.8	A414 L418 L449 L452 M471 Y480 A481 K482	A414-P478 HydrophobicContact CB-CG 4.45Å; L418-P478 HydrophobicContact CD2-CB 4.3Å; L418-P478 HydrophobicContact CD2-CG 4.02Å; L449-P478 HydrophobicContact CD2-CB 3.95Å; L449-P478 HydrophobicContact CD2-CG 3.83Å; L452-P478 HydrophobicContact CD1-CB 3.5Å; L452-P478 VanDerWaalsContact CD1-CB 3.5Å; M471-P478 HydrophobicContact CE-CB 3.69Å; M471-P478 VanDerWaalsContact CE-O 3.24Å; M471-P478 WeakPolarHBondContact CE-O 3.43Å; P478-Y480 PolarHBondContact O-N 3.07Å; P478-A481 WeakPolarHBondContact O-CB 3.36Å; P478-A481 PolarHBondContact O-N 3.44Å; P478-K482 PolarHBondContact O-N 2.91Å
479	R	92.8	Very high	94.4	Very high	30 Å²	30	32.6 Å²	32.6	11%	0.113	16%	0.161	C	C	.	.	H	α-helix	trans	-56.6	-47.1	178.4	63.3	-171.7	172.1	162.1	5.6	113.4	E477 A481 K482 T483 N605 N643	E477-R479 VanDerWaalsContact C-N 3.28Å; E477-R479 HydrophobicContact CB-CG 4.3Å; E477-R479 PolarHBondContact O-N 3.38Å; E477-R479 VanDerWaalsContact O-N 3.16Å; E477-R479 IonicContact OE2-CZ 2.65Å; E477-R479 IonicContact OE2-NE 2.97Å; E477-R479 PolarHBondContact OE2-NE 3.47Å; E477-R479 IonicContact OE2-NH2 3.55Å; E477-R479 PolarHBondContact OE2-NH2 3.41Å; R479-A481 VanDerWaalsContact C-N 3.34Å; R479-A481 PolarHBondContact O-N 3.26Å; R479-K482 WeakPolarHBondContact O-CB 3.38Å; R479-K482 PolarHBondContact O-N 3.34Å; R479-T483 PolarHBondContact O-N 3.22Å; R479-T483 PolarHBondContact O-OG1 3.35Å; R479-N605 PolarHBondContact NH1-ND2 3.1Å; R479-N643 VanDerWaalsContact CZ-O 3.28Å; R479-N643 PolarHBondContact NH1-O 3.08Å; R479-N643 PolarHBondContact NH2-O 3.48Å; R479-N643 VanDerWaalsContact NH2-O 3.11Å
480	Y	95.4	Very high	94.5	Very high	13 Å²	13	28 Å²	28	5%	0.051	14%	0.142	C	C	.	.	H	α-helix	trans	-67.7	-37.8	179.5	-60.9	-48.3	0	0	0	111.6	E477 P478 K482 T483 I484 V500 L503 M602 N643	E477-Y480 HydrophobicContact CB-CD2 3.92Å; E477-Y480 HydrophobicContact CB-CE2 4.3Å; E477-Y480 HydrophobicContact CG-CE2 4.49Å; E477-Y480 PolarHBondContact O-N 3.3Å; E477-Y480 VanDerWaalsContact O-N 3.08Å; P478-Y480 PolarHBondContact O-N 3.07Å; Y480-K482 VanDerWaalsContact C-N 3.32Å; Y480-T483 PolarHBondContact O-N 2.69Å; Y480-I484 WeakPolarHBondContact O-CG1 3.19Å; Y480-I484 PolarHBondContact O-N 3.07Å; Y480-V500 HydrophobicContact CD1-CG1 4.46Å; Y480-V500 HydrophobicContact CD1-CG2 4.18Å; Y480-V500 HydrophobicContact CG-CG1 4.12Å; Y480-L503 HydrophobicContact CE1-CD1 3.91Å; Y480-M602 HydrophobicContact CE1-CE 4.4Å; Y480-N643 WeakPolarHBondContact CE1-OD1 3.35Å; Y480-N643 PolarHBondContact OH-ND2 3.22Å; Y480-N643 PolarHBondContact OH-OD1 2.79Å
481	A	96.1	Very high	94.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.8	-42.7	174.7	0	0	0	0	0	111	M471 F474 E477 P478 R479 I484 L485	M471-A481 HydrophobicContact CB-CB 3.99Å; M471-A481 HydrophobicContact CG-CB 4.17Å; F474-A481 HydrophobicContact CB-CB 4.01Å; F474-A481 HydrophobicContact CD2-CB 4.02Å; F474-A481 HydrophobicContact CG-CB 4.25Å; E477-A481 PolarHBondContact O-N 3.36Å; E477-A481 VanDerWaalsContact O-N 3.17Å; P478-A481 WeakPolarHBondContact O-CB 3.36Å; P478-A481 PolarHBondContact O-N 3.44Å; R479-A481 VanDerWaalsContact C-N 3.34Å; R479-A481 PolarHBondContact O-N 3.26Å; A481-I484 PolarHBondContact O-N 3.19Å; A481-L485 WeakPolarHBondContact O-CB 3.13Å; A481-L485 WeakPolarHBondContact O-CD1 3.17Å; A481-L485 VanDerWaalsContact O-CG 3.26Å; A481-L485 WeakPolarHBondContact O-CG 3.3Å; A481-L485 PolarHBondContact O-N 2.88Å
482	K	96	Very high	94.6	Very high	24 Å²	24	26.4 Å²	26.4	10%	0.104	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-49.2	173.3	-178	176.1	-179.2	160.7	0	111.4	L452 M471 P478 R479 Y480 I484 L485 L486	L452-K482 HydrophobicContact CB-CD 4.14Å; L452-K482 HydrophobicContact CD2-CD 3.68Å; L452-K482 WeakPolarHBondContact O-CD 3.49Å; L452-K482 WeakPolarHBondContact O-CE 3.47Å; L452-K482 PolarHBondContact O-NZ 2.89Å; M471-K482 HydrophobicContact CE-CB 4.17Å; P478-K482 PolarHBondContact O-N 2.91Å; R479-K482 WeakPolarHBondContact O-CB 3.38Å; R479-K482 PolarHBondContact O-N 3.34Å; Y480-K482 VanDerWaalsContact C-N 3.32Å; K482-I484 VanDerWaalsContact C-N 3.33Å; K482-I484 PolarHBondContact O-N 2.86Å; K482-L485 PolarHBondContact O-N 3.37Å; K482-L485 VanDerWaalsContact O-N 3.11Å; K482-L486 HydrophobicContact CD-CD1 4.44Å; K482-L486 HydrophobicContact CG-CD1 3.83Å; K482-L486 HydrophobicContact CG-CG 4.32Å; K482-L486 WeakPolarHBondContact O-CG 3.36Å; K482-L486 PolarHBondContact O-N 2.97Å
483	T	96.9	Very high	94.8	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-57.9	-43.7	179.1	-47.5	0	0	0	0	112.1	R479 Y480 L485 L486 S487 I496 L598 G601	R479-T483 PolarHBondContact O-N 3.22Å; R479-T483 PolarHBondContact O-OG1 3.35Å; Y480-T483 PolarHBondContact O-N 2.69Å; T483-L485 VanDerWaalsContact C-N 3.35Å; T483-L485 PolarHBondContact O-N 3.23Å; T483-L486 PolarHBondContact O-N 3.44Å; T483-S487 PolarHBondContact O-N 2.82Å; T483-I496 HydrophobicContact CG2-CD1 4.03Å; T483-I496 HydrophobicContact CG2-CG2 3.78Å; T483-L598 HydrophobicContact CG2-CD2 4.16Å; T483-G601 WeakPolarHBondContact OG1-CA 3.44Å
484	I	97.8	Very high	95.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-43.3	176.5	-67.1	171.9	0	0	0	110.9	F474 L476 Y480 A481 K482 L486 S487 I496 L497 V500 L573 C577 L582	F474-I484 HydrophobicContact CD1-CD1 4.36Å; F474-I484 HydrophobicContact CE1-CD1 4.34Å; F474-I484 HydrophobicContact CE1-CG2 3.95Å; F474-I484 HydrophobicContact CZ-CG2 3.93Å; L476-I484 HydrophobicContact CD1-CD1 3.42Å; L476-I484 VanDerWaalsContact CD1-CD1 3.42Å; Y480-I484 WeakPolarHBondContact O-CG1 3.19Å; Y480-I484 PolarHBondContact O-N 3.07Å; A481-I484 PolarHBondContact O-N 3.19Å; K482-I484 VanDerWaalsContact C-N 3.33Å; K482-I484 PolarHBondContact O-N 2.86Å; I484-L486 VanDerWaalsContact C-N 3.31Å; I484-L486 PolarHBondContact O-N 3.2Å; I484-S487 WeakPolarHBondContact O-CB 3.38Å; I484-S487 PolarHBondContact O-N 3.46Å; I484-S487 PolarHBondContact O-OG 3.11Å; I484-I496 HydrophobicContact CG1-CG2 4.11Å; I484-L497 HydrophobicContact CD1-CD2 4.05Å; I484-L497 HydrophobicContact CG1-CD2 4.28Å; I484-L497 HydrophobicContact CG2-CD2 4.04Å; I484-V500 HydrophobicContact CD1-CB 4.38Å; I484-V500 HydrophobicContact CD1-CG1 4.08Å; I484-V500 HydrophobicContact CD1-CG2 4.46Å; I484-V500 HydrophobicContact CG1-CG2 4.19Å; I484-L573 HydrophobicContact CD1-CD1 4.21Å; I484-L573 HydrophobicContact CD1-CD2 4.48Å; I484-C577 VanDerWaalsContact CG2-SG 3.5Å; I484-L582 HydrophobicContact CG2-CD1 4.46Å
485	L	97.1	Very high	95.3	Very high	10 Å²	10	25.7 Å²	25.7	5%	0.052	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-31.4	-179.1	-74.1	163.8	0	0	0	113.2	L467 R470 M471 F474 A481 K482 T483 P488 L580 L582	L467-L485 HydrophobicContact CD1-CB 4.33Å; L467-L485 HydrophobicContact CD1-CD1 3.88Å; R470-L485 HydrophobicContact CB-CD1 3.88Å; R470-L485 HydrophobicContact CB-CD2 3.93Å; M471-L485 HydrophobicContact CB-CD1 4.38Å; M471-L485 HydrophobicContact CG-CD1 3.56Å; F474-L485 HydrophobicContact CE2-CD1 4.16Å; F474-L485 HydrophobicContact CE2-CD2 3.99Å; F474-L485 HydrophobicContact CE2-CG 3.92Å; F474-L485 HydrophobicContact CZ-CD2 4.48Å; A481-L485 WeakPolarHBondContact O-CB 3.13Å; A481-L485 WeakPolarHBondContact O-CD1 3.17Å; A481-L485 VanDerWaalsContact O-CG 3.26Å; A481-L485 WeakPolarHBondContact O-CG 3.3Å; A481-L485 PolarHBondContact O-N 2.88Å; K482-L485 PolarHBondContact O-N 3.37Å; K482-L485 VanDerWaalsContact O-N 3.11Å; T483-L485 VanDerWaalsContact C-N 3.35Å; T483-L485 PolarHBondContact O-N 3.23Å; L485-P488 WeakPolarHBondContact O-CD 3.36Å; L485-L580 HydrophobicContact CD2-CD1 4.46Å; L485-L582 HydrophobicContact CD2-CD1 3.94Å; L485-L582 HydrophobicContact CD2-CD2 4.22Å
486	L	96.4	Very high	95.7	Very high	37 Å²	37	25 Å²	25	19%	0.194	13%	0.129	C	C	.	.	H	α-helix	trans	-81.8	-21.8	176.1	-69.1	173.6	0	0	0	113.6	K482 T483 I484 P488 D489 F490 H600	K482-L486 HydrophobicContact CD-CD1 4.44Å; K482-L486 HydrophobicContact CG-CD1 3.83Å; K482-L486 HydrophobicContact CG-CG 4.32Å; K482-L486 WeakPolarHBondContact O-CG 3.36Å; K482-L486 PolarHBondContact O-N 2.97Å; T483-L486 PolarHBondContact O-N 3.44Å; I484-L486 VanDerWaalsContact C-N 3.31Å; I484-L486 PolarHBondContact O-N 3.2Å; L486-P488 VanDerWaalsContact C-N 3.3Å; L486-P488 WeakPolarHBondContact O-CD 3.42Å; L486-P488 VanDerWaalsContact O-N 3.12Å; L486-D489 WeakPolarHBondContact O-CB 3.32Å; L486-D489 PolarHBondContact O-N 3.14Å; L486-F490 WeakPolarHBondContact O-CD2 3.34Å; L486-H600 HydrophobicContact CD1-CB 4.03Å
487	S	97.2	Very high	96	Very high	2 Å²	2	24 Å²	24	1%	0.014	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-54.8	-29.8	-173.9	70.8	0	0	0	0	116.9	T483 I484 D489 F490 S491 C492 S493 C597	T483-S487 PolarHBondContact O-N 2.82Å; I484-S487 WeakPolarHBondContact O-CB 3.38Å; I484-S487 PolarHBondContact O-N 3.46Å; I484-S487 PolarHBondContact O-OG 3.11Å; S487-D489 VanDerWaalsContact C-N 3.3Å; S487-D489 PolarHBondContact O-N 2.56Å; S487-F490 PolarHBondContact O-N 3.28Å; S487-S491 PolarHBondContact O-N 2.96Å; S487-C492 PolarHBondContact O-N 3.41Å; S487-C492 VanDerWaalsContact O-N 3.15Å; S487-S493 VanDerWaalsContact OG-CA 3.3Å; S487-S493 WeakPolarHBondContact OG-CA 3.36Å; S487-S493 WeakPolarHBondContact OG-CB 3.27Å; S487-S493 PolarHBondContact OG-OG 3.3Å; S487-C597 VanDerWaalsContact CA-SG 3.58Å
488	P	96.6	Very high	96.4	Very high	22 Å²	22	20 Å²	20	14%	0.143	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-65.2	-31.9	175.1	-21.6	35.2	0	0	0	113.4	L485 L486 F490 S491 L582 K583	L485-P488 WeakPolarHBondContact O-CD 3.36Å; L486-P488 VanDerWaalsContact C-N 3.3Å; L486-P488 WeakPolarHBondContact O-CD 3.42Å; L486-P488 VanDerWaalsContact O-N 3.12Å; P488-F490 PolarHBondContact O-N 3.33Å; P488-S491 PolarHBondContact O-N 3.45Å; P488-L582 HydrophobicContact CG-CD2 4.03Å; P488-K583 HydrophobicContact CB-CB 4.42Å
489	D	95.6	Very high	96.6	Very high	124 Å²	124	19.7 Å²	19.7	66%	0.663	10%	0.104	S	C	*	.	G	3₁₀ helix	trans	-67.1	-21.3	-179	-56.9	-24.1	0	0	0	111.7	L486 S487	L486-D489 WeakPolarHBondContact O-CB 3.32Å; L486-D489 PolarHBondContact O-N 3.14Å; S487-D489 VanDerWaalsContact C-N 3.3Å; S487-D489 PolarHBondContact O-N 2.56Å
490	F	96.1	Very high	96.7	Very high	36 Å²	36	18.3 Å²	18.3	16%	0.158	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-107.5	6.5	175.3	-58.2	-82.2	0	0	0	112.8	L486 S487 P488 C492 S593 R596 C597 H600	L486-F490 WeakPolarHBondContact O-CD2 3.34Å; S487-F490 PolarHBondContact O-N 3.28Å; P488-F490 PolarHBondContact O-N 3.33Å; F490-C492 PolarHBondContact O-N 3.16Å; F490-C492 VanDerWaalsContact O-N 3.14Å; F490-S593 WeakPolarHBondContact O-CB 3.42Å; F490-R596 HydrophobicContact CD1-CB 3.77Å; F490-R596 HydrophobicContact CE1-CB 3.71Å; F490-C597 HydrophobicContact CB-CB 4.03Å; F490-C597 HydrophobicContact CD2-CB 3.59Å; F490-C597 HydrophobicContact CE2-CB 4.25Å; F490-C597 HydrophobicContact CG-CB 3.85Å; F490-H600 HydrophobicContact CE2-CB 4.23Å; F490-H600 HydrophobicContact CZ-CB 4.16Å; F490-H600 AromaticContact CZ-CD2 3.65Å; F490-H600 AromaticContact CZ-CE1 3.91Å; F490-H600 AromaticContact CZ-CG 3.61Å; F490-H600 AromaticContact CZ-ND1 3.77Å; F490-H600 AromaticContact CZ-NE2 3.81Å
491	S	96.7	Very high	96.8	Very high	55 Å²	55	17.7 Å²	17.7	39%	0.385	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	33.1	-179.3	-52.3	0	0	0	0	114.7	S487 P488 S586 C587	S487-S491 PolarHBondContact O-N 2.96Å; P488-S491 PolarHBondContact O-N 3.45Å; S491-S586 CarbonylContact O-C 3.54Å; S491-C587 WeakPolarHBondContact O-CB 3.47Å; S491-C587 PolarHBondContact O-N 3.29Å; S491-C587 VanDerWaalsContact O-N 3.11Å
492	C	97.1	Very high	96.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.			trans	-129.4	28.8	-173.3	70.8	0	0	0	0	114	S487 F490 E494 E495 I496 E585 C587 V594 C597	S487-C492 PolarHBondContact O-N 3.41Å; S487-C492 VanDerWaalsContact O-N 3.15Å; F490-C492 PolarHBondContact O-N 3.16Å; F490-C492 VanDerWaalsContact O-N 3.14Å; C492-E494 PolarHBondContact O-N 2.97Å; C492-E495 PolarHBondContact O-N 3.47Å; C492-I496 WeakPolarHBondContact O-CG1 3.36Å; C492-I496 PolarHBondContact O-N 2.98Å; C492-E585 CarbonylContact C-O 3.58Å; C492-C587 HydrophobicContact CB-CB 3.98Å; C492-V594 HydrophobicContact CB-CG2 4.05Å; C492-C597 VanDerWaalsContact SG-CB 3.55Å
493	S	97.1	Very high	96.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-59.7	-39.6	-175.5	-56.5	0	0	0	0	114.1	S487 E495 I496 L497 K583 E585	S487-S493 VanDerWaalsContact OG-CA 3.3Å; S487-S493 WeakPolarHBondContact OG-CA 3.36Å; S487-S493 WeakPolarHBondContact OG-CB 3.27Å; S487-S493 PolarHBondContact OG-OG 3.3Å; S493-E495 PolarHBondContact O-N 3.01Å; S493-I496 PolarHBondContact O-N 3.12Å; S493-L497 VanDerWaalsContact O-CB 3.29Å; S493-L497 WeakPolarHBondContact O-CB 3.13Å; S493-L497 WeakPolarHBondContact O-CG 3.42Å; S493-L497 PolarHBondContact O-N 3.3Å; S493-K583 PolarHBondContact OG-O 2.76Å; S493-E585 PolarHBondContact N-O 3.16Å
494	E	96.3	Very high	96.2	Very high	40 Å²	40	19.5 Å²	19.5	19%	0.187	11%	0.109	C	C	.	.	H	α-helix	trans	-65	-39.6	179	-65.2	-70.3	175.3	0	0	112.1	C492 S498 R574 E585	C492-E494 PolarHBondContact O-N 2.97Å; E494-S498 WeakPolarHBondContact O-CB 3.48Å; E494-S498 PolarHBondContact O-N 3.34Å; E494-S498 PolarHBondContact O-OG 3.3Å; E494-R574 IonicContact OE1-CZ 3.99Å; E494-R574 IonicContact OE1-NH1 2.66Å; E494-R574 PolarHBondContact OE1-NH1 3.44Å; E494-R574 IonicContact OE1-NH2 3.36Å; E494-R574 PolarHBondContact OE1-NH2 3.45Å; E494-R574 IonicContact OE2-NH1 3.77Å; E494-R574 PolarHBondContact OE2-NH1 3.32Å; E494-E585 WeakPolarHBondContact CG-O 3.45Å; E494-E585 PolarHBondContact N-O 3.46Å
495	E	97.4	Very high	95.7	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.033	12%	0.116	C	C	.	.	H	α-helix	trans	-67.5	-48	176.6	-73	69.3	-146	0	0	111.5	C492 S493 L497 S498 I499 L537 R541 S586 C587 V594	C492-E495 PolarHBondContact O-N 3.47Å; S493-E495 PolarHBondContact O-N 3.01Å; E495-L497 PolarHBondContact O-N 2.8Å; E495-S498 WeakPolarHBondContact O-CA 3.38Å; E495-S498 WeakPolarHBondContact O-CB 3.38Å; E495-S498 PolarHBondContact O-N 2.98Å; E495-S498 VanDerWaalsContact O-N 3.11Å; E495-I499 WeakPolarHBondContact O-CG1 3.2Å; E495-I499 PolarHBondContact O-N 3.42Å; E495-L537 HydrophobicContact CB-CD2 4.01Å; E495-L537 HydrophobicContact CG-CD1 4.48Å; E495-L537 HydrophobicContact CG-CD2 3.79Å; E495-R541 IonicContact OE1-NH2 3.61Å; E495-R541 PolarHBondContact OE1-NH2 3.43Å; E495-S586 PolarHBondContact OE1-OG 3.36Å; E495-S586 WeakPolarHBondContact OE2-CA 3.25Å; E495-C587 PolarHBondContact OE2-N 3.05Å; E495-C587 VanDerWaalsContact OE2-N 3.17Å; E495-C587 PolarHBondContact OE2-SG 2.93Å; E495-V594 HydrophobicContact CB-CG1 4.27Å; E495-V594 HydrophobicContact CB-CG2 3.77Å; E495-V594 HydrophobicContact CG-CG2 3.97Å
496	I	97.9	Very high	94.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.8	-42.4	179.1	-66.8	-64.6	0	0	0	111	T483 I484 C492 S493 S498 I499 V500 V594 C597 L598	T483-I496 HydrophobicContact CG2-CD1 4.03Å; T483-I496 HydrophobicContact CG2-CG2 3.78Å; I484-I496 HydrophobicContact CG1-CG2 4.11Å; C492-I496 WeakPolarHBondContact O-CG1 3.36Å; C492-I496 PolarHBondContact O-N 2.98Å; S493-I496 PolarHBondContact O-N 3.12Å; I496-S498 VanDerWaalsContact C-N 3.28Å; I496-S498 PolarHBondContact O-N 2.99Å; I496-I499 PolarHBondContact O-N 3.04Å; I496-V500 HydrophobicContact CG2-CG2 4.22Å; I496-V500 WeakPolarHBondContact O-CB 3.24Å; I496-V500 WeakPolarHBondContact O-CG2 3.44Å; I496-V500 PolarHBondContact O-N 2.97Å; I496-V594 HydrophobicContact CD1-CG1 3.74Å; I496-V594 HydrophobicContact CG1-CG1 4.47Å; I496-C597 HydrophobicContact CD1-CB 4.04Å; I496-C597 HydrophobicContact CG1-CB 4.26Å; I496-L598 HydrophobicContact CD1-CD2 3.99Å; I496-L598 HydrophobicContact CD1-CG 3.99Å
497	L	97.1	Very high	94.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-41.1	172.9	-75.7	173.4	0	0	0	111.6	I484 S493 E495 S501 L573 R574 L584	I484-L497 HydrophobicContact CD1-CD2 4.05Å; I484-L497 HydrophobicContact CG1-CD2 4.28Å; I484-L497 HydrophobicContact CG2-CD2 4.04Å; S493-L497 VanDerWaalsContact O-CB 3.29Å; S493-L497 WeakPolarHBondContact O-CB 3.13Å; S493-L497 WeakPolarHBondContact O-CG 3.42Å; S493-L497 PolarHBondContact O-N 3.3Å; E495-L497 PolarHBondContact O-N 2.8Å; L497-S501 VanDerWaalsContact O-CB 3.23Å; L497-S501 WeakPolarHBondContact O-CB 2.95Å; L497-S501 PolarHBondContact O-N 2.84Å; L497-S501 PolarHBondContact O-OG 3.44Å; L497-L573 HydrophobicContact CD2-CB 3.64Å; L497-L573 HydrophobicContact CD2-CD1 4.49Å; L497-R574 HydrophobicContact CD1-CB 4.5Å; L497-L584 HydrophobicContact CD1-CD2 3.83Å
498	S	97	Very high	93.8	Very high	9 Å²	9	28 Å²	28	6%	0.063	16%	0.159	C	C	.	.	H	α-helix	trans	-63.2	-48.5	176.3	-57.4	0	0	0	0	111.5	E494 E495 I496 S501 L502 Q570	E494-S498 WeakPolarHBondContact O-CB 3.48Å; E494-S498 PolarHBondContact O-N 3.34Å; E494-S498 PolarHBondContact O-OG 3.3Å; E495-S498 WeakPolarHBondContact O-CA 3.38Å; E495-S498 WeakPolarHBondContact O-CB 3.38Å; E495-S498 PolarHBondContact O-N 2.98Å; E495-S498 VanDerWaalsContact O-N 3.11Å; I496-S498 VanDerWaalsContact C-N 3.28Å; I496-S498 PolarHBondContact O-N 2.99Å; S498-S501 PolarHBondContact O-N 2.85Å; S498-L502 WeakPolarHBondContact O-CD1 3.2Å; S498-L502 VanDerWaalsContact O-CG 3.26Å; S498-L502 WeakPolarHBondContact O-CG 3.24Å; S498-L502 PolarHBondContact O-N 2.95Å; S498-Q570 PolarHBondContact OG-NE2 3.25Å
499	I	97.1	Very high	93.4	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-62.4	-52	-179.5	-69.8	166.4	0	0	0	110.8	E495 I496 S501 L502 L503 H533 M534 L537 V594 L598	E495-I499 WeakPolarHBondContact O-CG1 3.2Å; E495-I499 PolarHBondContact O-N 3.42Å; I496-I499 PolarHBondContact O-N 3.04Å; I499-S501 PolarHBondContact O-N 3.16Å; I499-L502 WeakPolarHBondContact O-CB 3.46Å; I499-L502 PolarHBondContact O-N 3.17Å; I499-L502 VanDerWaalsContact O-N 3.08Å; I499-L503 HydrophobicContact CG2-CD1 3.96Å; I499-L503 HydrophobicContact CG2-CG 4.43Å; I499-L503 WeakPolarHBondContact O-CG 3.27Å; I499-L503 PolarHBondContact O-N 3.45Å; I499-H533 HydrophobicContact CG2-CB 4.43Å; I499-M534 HydrophobicContact CD1-CE 3.52Å; I499-L537 HydrophobicContact CD1-CD2 4.31Å; I499-L537 HydrophobicContact CG1-CB 4.2Å; I499-L537 HydrophobicContact CG1-CD1 4.49Å; I499-V594 HydrophobicContact CD1-CG1 3.54Å; I499-L598 HydrophobicContact CD1-CD1 4.47Å
500	V	96.8	Very high	92.8	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-36.4	179.2	173.6	0	0	0	0	111.3	L476 Y480 I484 I496 L503 S504 L573	L476-V500 HydrophobicContact CD1-CG1 3.79Å; L476-V500 HydrophobicContact CD2-CG1 4.06Å; Y480-V500 HydrophobicContact CD1-CG1 4.46Å; Y480-V500 HydrophobicContact CD1-CG2 4.18Å; Y480-V500 HydrophobicContact CG-CG1 4.12Å; I484-V500 HydrophobicContact CD1-CB 4.38Å; I484-V500 HydrophobicContact CD1-CG1 4.08Å; I484-V500 HydrophobicContact CD1-CG2 4.46Å; I484-V500 HydrophobicContact CG1-CG2 4.19Å; I496-V500 HydrophobicContact CG2-CG2 4.22Å; I496-V500 WeakPolarHBondContact O-CB 3.24Å; I496-V500 WeakPolarHBondContact O-CG2 3.44Å; I496-V500 PolarHBondContact O-N 2.97Å; V500-L503 PolarHBondContact O-N 2.88Å; V500-S504 VanDerWaalsContact O-CB 3.27Å; V500-S504 WeakPolarHBondContact O-CB 3.42Å; V500-S504 PolarHBondContact O-N 3.36Å; V500-S504 PolarHBondContact O-OG 3.32Å; V500-L573 HydrophobicContact CG1-CD1 4.23Å
501	S	96.1	Very high	92.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.9	-40.6	175.7	-58.3	0	0	0	0	112.1	L497 S498 I499 L503 S504 Q570	L497-S501 VanDerWaalsContact O-CB 3.23Å; L497-S501 WeakPolarHBondContact O-CB 2.95Å; L497-S501 PolarHBondContact O-N 2.84Å; L497-S501 PolarHBondContact O-OG 3.44Å; S498-S501 PolarHBondContact O-N 2.85Å; I499-S501 PolarHBondContact O-N 3.16Å; S501-L503 VanDerWaalsContact C-N 3.35Å; S501-S504 PolarHBondContact O-N 2.96Å; S501-Q570 VanDerWaalsContact OG-CA 3.23Å; S501-Q570 WeakPolarHBondContact OG-CA 3.5Å; S501-Q570 WeakPolarHBondContact OG-CB 3.35Å; S501-Q570 PolarHBondContact OG-N 3.46Å
502	L	95.3	Very high	91.1	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.042	16%	0.161	C	C	.	.	H	α-helix	trans	-63.4	-39.6	175.6	-71.8	156.1	0	0	0	111.9	S498 I499 S504 V508 L536 Y540 M563 V566	S498-L502 WeakPolarHBondContact O-CD1 3.2Å; S498-L502 VanDerWaalsContact O-CG 3.26Å; S498-L502 WeakPolarHBondContact O-CG 3.24Å; S498-L502 PolarHBondContact O-N 2.95Å; I499-L502 WeakPolarHBondContact O-CB 3.46Å; I499-L502 PolarHBondContact O-N 3.17Å; I499-L502 VanDerWaalsContact O-N 3.08Å; L502-S504 VanDerWaalsContact C-N 3.33Å; L502-V508 HydrophobicContact CD2-CG1 4.1Å; L502-V508 HydrophobicContact CD2-CG2 4.05Å; L502-L536 HydrophobicContact CD1-CB 4.11Å; L502-Y540 HydrophobicContact CD1-CG 4.25Å; L502-Y540 HydrophobicContact CD2-CD2 4.22Å; L502-Y540 HydrophobicContact CD2-CG 4.42Å; L502-M563 HydrophobicContact CD2-CE 4.28Å; L502-M563 HydrophobicContact CD2-SD 4.1Å; L502-V566 HydrophobicContact CD2-CG1 3.91Å; L502-V566 HydrophobicContact CD2-CG2 4.12Å; L502-V566 HydrophobicContact CG-CG1 3.94Å
503	L	92.6	Very high	89.9	Confident	29 Å²	29	35.8 Å²	35.8	15%	0.152	19%	0.192	C	C	.	.	H	α-helix	trans	-76.2	-18.4	177.9	-63.1	174.5	0	0	0	113.6	Y480 I499 V500 S501 L536 D655	Y480-L503 HydrophobicContact CE1-CD1 3.91Å; I499-L503 HydrophobicContact CG2-CD1 3.96Å; I499-L503 HydrophobicContact CG2-CG 4.43Å; I499-L503 WeakPolarHBondContact O-CG 3.27Å; I499-L503 PolarHBondContact O-N 3.45Å; V500-L503 PolarHBondContact O-N 2.88Å; S501-L503 VanDerWaalsContact C-N 3.35Å; L503-L536 HydrophobicContact CD2-CD1 4.31Å; L503-D655 HydrophobicContact CD2-CB 4.23Å
504	S	89.8	Confident	88.9	Confident	25 Å²	25	39.7 Å²	39.7	18%	0.175	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-5.2	-177.7	-64.8	0	0	0	0	114.2	V500 S501 L502	V500-S504 VanDerWaalsContact O-CB 3.27Å; V500-S504 WeakPolarHBondContact O-CB 3.42Å; V500-S504 PolarHBondContact O-N 3.36Å; V500-S504 PolarHBondContact O-OG 3.32Å; S501-S504 PolarHBondContact O-N 2.96Å; L502-S504 VanDerWaalsContact C-N 3.33Å
505	V	86.6	Confident	88.3	Confident	23 Å²	23	43.2 Å²	43.2	14%	0.139	24%	0.244	C	C	.	.	S	Bend	trans	-114.7	153.4	179.5	-179	0	0	0	0	109.1	N562 L565 V566 V569	V505-N562 HydrophobicContact CG1-CB 3.96Å; V505-L565 HydrophobicContact CG1-CB 3.98Å; V505-L565 HydrophobicContact CG1-CD1 4.13Å; V505-L565 HydrophobicContact CG2-CB 4.17Å; V505-V566 HydrophobicContact CB-CG2 3.96Å; V505-V566 HydrophobicContact CG1-CG2 4.42Å; V505-V566 HydrophobicContact CG2-CG2 3.8Å; V505-V569 HydrophobicContact CG2-CG2 3.78Å
506	D	78.4	Confident	87.6	Confident	113 Å²	113	50.5 Å²	50.5	60%	0.604	27%	0.271	S	S	*	.	S	Bend	trans	-49.2	147	169	-65.5	-41.9	0	0	0	111	V508 N562	D506-V508 PolarHBondContact O-N 2.97Å; D506-V508 VanDerWaalsContact O-N 3.16Å; D506-N562 PolarHBondContact O-ND2 2.9Å
507	T	83.4	Confident	87.1	Confident	88 Å²	88	56.7 Å²	56.7	54%	0.54	31%	0.305	S	S	.	.			trans	-39.2	121.5	-172.8	178.8	0	0	0	0	113.3	L509 N562	T507-L509 PolarHBondContact O-N 3.15Å; T507-L509 PolarHBondContact OG1-N 2.87Å; T507-L509 PolarHBondContact OG1-O 2.72Å; T507-N562 PolarHBondContact O-ND2 3.13Å
508	V	88.6	Confident	86.8	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.024	33%	0.326	C	S	.	.	S	Bend	trans	-76.3	-13.7	174.4	-62.1	0	0	0	0	112	L502 D506 L536 V558 N559 N562 M563 V566	L502-V508 HydrophobicContact CD2-CG1 4.1Å; L502-V508 HydrophobicContact CD2-CG2 4.05Å; D506-V508 PolarHBondContact O-N 2.97Å; D506-V508 VanDerWaalsContact O-N 3.16Å; V508-L536 HydrophobicContact CG2-CD2 4.04Å; V508-V558 CarbonylContact O-C 3.57Å; V508-V558 WeakPolarHBondContact O-CA 3.46Å; V508-N559 PolarHBondContact O-N 3.41Å; V508-N562 HydrophobicContact CG1-CB 4.06Å; V508-M563 HydrophobicContact CB-CE 3.88Å; V508-M563 HydrophobicContact CB-SD 4.12Å; V508-M563 HydrophobicContact CG1-CE 4.38Å; V508-M563 HydrophobicContact CG1-SD 4.01Å; V508-M563 HydrophobicContact CG2-CE 3.88Å; V508-V566 HydrophobicContact CG1-CG2 3.86Å
509	L	89.5	Confident	86.3	Confident	38 Å²	38	61.4 Å²	61.4	20%	0.199	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-95	122.9	179.1	-56.3	-175.2	0	0	0	109.7	T507 L536 I539	T507-L509 PolarHBondContact O-N 3.15Å; T507-L509 PolarHBondContact OG1-N 2.87Å; T507-L509 PolarHBondContact OG1-O 2.72Å; L509-L536 HydrophobicContact CD1-CD2 4Å; L509-L536 HydrophobicContact CD2-CD2 4.42Å; L509-L536 HydrophobicContact CG-CD2 4.15Å; L509-I539 HydrophobicContact CD2-CD1 3.67Å
510	F	82.8	Confident	85.8	Confident	117 Å²	117	66.1 Å²	66.1	51%	0.513	35%	0.351	S	S	.	.			trans	-94.3	121.3	174.6	178.9	-123.3	0	0	0	109.9	P512 R523 F557	F510-P512 VanDerWaalsContact C-CD 3.5Å; F510-P512 HydrophobicContact CD1-CG 4.07Å; F510-P512 HydrophobicContact CE1-CB 3.89Å; F510-P512 HydrophobicContact CE1-CG 3.68Å; F510-P512 HydrophobicContact CZ-CB 3.91Å; F510-P512 HydrophobicContact CZ-CG 4.19Å; F510-P512 VanDerWaalsContact O-CD 3.31Å; F510-P512 WeakPolarHBondContact O-CD 3.21Å; F510-R523 PolarHBondContact O-NH2 3.15Å; F510-F557 WeakPolarHBondContact CB-O 3.31Å; F510-F557 HydrophobicContact CD1-CD1 4.44Å; F510-F557 PolarHBondContact N-O 2.97Å; F510-F557 WeakPolarHBondContact O-CB 3.49Å
511	N	82.6	Confident	85.5	Confident	93 Å²	93	69.5 Å²	69.5	50%	0.497	38%	0.378	S	S	.	.			trans	-120.6	77.8	-176.5	-64.9	-28.5	0	0	0	110.7	R523	N511-R523 PolarHBondContact OD1-NH1 3.08Å; N511-R523 PolarHBondContact OD1-NH2 2.82Å
512	P	74.3	Confident	85.3	Confident	27 Å²	27	70.4 Å²	70.4	18%	0.175	39%	0.386	C	S	.	.			trans	-63.2	136.3	177.8	22.4	-30.9	0	0	0	111.6	F510 R515 I519 F557	F510-P512 VanDerWaalsContact C-CD 3.5Å; F510-P512 HydrophobicContact CD1-CG 4.07Å; F510-P512 HydrophobicContact CE1-CB 3.89Å; F510-P512 HydrophobicContact CE1-CG 3.68Å; F510-P512 HydrophobicContact CZ-CB 3.91Å; F510-P512 HydrophobicContact CZ-CG 4.19Å; F510-P512 VanDerWaalsContact O-CD 3.31Å; F510-P512 WeakPolarHBondContact O-CD 3.21Å; P512-R515 HydrophobicContact CG-CB 4.29Å; P512-R515 PolarHBondContact O-N 3.04Å; P512-I519 HydrophobicContact CG-CD1 4.09Å; P512-F557 HydrophobicContact CG-CD1 3.99Å; P512-F557 HydrophobicContact CG-CE1 3.96Å
513	L	72.3	Confident	85.1	Confident	125 Å²	125	71.3 Å²	71.3	65%	0.654	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	136.8	175.7	-64.7	173.6	0	0	0	110.1
514	G	75.9	Confident	85.1	Confident	84 Å²	84	77.7 Å²	77.7	87%	0.866	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-2	177.2	0	0	0	0	0	116.1
515	R	83.9	Confident	85.3	Confident	114 Å²	114	83.2 Å²	83.2	43%	0.43	44%	0.436	S	S	.	.			trans	-117.6	29.8	178.1	-63.9	178.4	68.8	-179.2	2.1	113.3	P512 D517 E518 I519	P512-R515 HydrophobicContact CG-CB 4.29Å; P512-R515 PolarHBondContact O-N 3.04Å; R515-D517 PolarHBondContact O-N 2.85Å; R515-E518 IonicContact CZ-OE1 2.69Å; R515-E518 IonicContact CZ-OE2 2.83Å; R515-E518 IonicContact NE-OE2 2.79Å; R515-E518 PolarHBondContact NE-OE2 2.88Å; R515-E518 IonicContact NH2-OE1 3.16Å; R515-E518 PolarHBondContact NH2-OE1 2.74Å; R515-E518 IonicContact NH2-OE2 2.71Å; R515-E518 PolarHBondContact NH2-OE2 2.7Å; R515-E518 PolarHBondContact O-N 2.84Å; R515-I519 HydrophobicContact CB-CD1 4.39Å; R515-I519 VanDerWaalsContact O-CD1 3.25Å; R515-I519 WeakPolarHBondContact O-CD1 3.48Å; R515-I519 WeakPolarHBondContact O-CG1 3.4Å; R515-I519 PolarHBondContact O-N 2.73Å; R515-I519 VanDerWaalsContact O-N 3.09Å
516	R	82.3	Confident	85.7	Confident	160 Å²	160	82.9 Å²	82.9	60%	0.604	43%	0.433	S	S	*	.	H	α-helix	trans	-58.8	-46.9	-171.1	-172.6	175.8	176.3	136.6	2.2	112.7	E518 I519 L520	R516-E518 PolarHBondContact O-N 2.85Å; R516-I519 PolarHBondContact O-N 3.23Å; R516-L520 HydrophobicContact CG-CD1 4.1Å; R516-L520 WeakPolarHBondContact O-CG 3.39Å; R516-L520 PolarHBondContact O-N 2.99Å
517	D	86.9	Confident	86.4	Confident	130 Å²	130	80.9 Å²	80.9	70%	0.695	43%	0.425	S	S	*	.	H	α-helix	trans	-68	-38.2	-175.6	-58.5	-32.9	0	0	0	112.1	R515 L520 A521	R515-D517 PolarHBondContact O-N 2.85Å; D517-L520 PolarHBondContact O-N 2.81Å; D517-A521 WeakPolarHBondContact O-CB 3.38Å; D517-A521 PolarHBondContact O-N 3.42Å
518	E	90.1	Very high	87	Confident	96 Å²	96	77.4 Å²	77.4	45%	0.449	40%	0.404	S	S	.	.	H	α-helix	trans	-63.7	-42	175.1	-167.1	-172.4	168	0	0	111.7	R515 R516 A521 A522 F557	R515-E518 IonicContact CZ-OE1 2.69Å; R515-E518 IonicContact CZ-OE2 2.83Å; R515-E518 IonicContact NE-OE2 2.79Å; R515-E518 PolarHBondContact NE-OE2 2.88Å; R515-E518 IonicContact NH2-OE1 3.16Å; R515-E518 PolarHBondContact NH2-OE1 2.74Å; R515-E518 IonicContact NH2-OE2 2.71Å; R515-E518 PolarHBondContact NH2-OE2 2.7Å; R515-E518 PolarHBondContact O-N 2.84Å; R516-E518 PolarHBondContact O-N 2.85Å; E518-A521 PolarHBondContact O-N 3.48Å; E518-A522 VanDerWaalsContact O-CB 3.31Å; E518-A522 WeakPolarHBondContact O-CB 3.44Å; E518-A522 PolarHBondContact O-N 2.84Å; E518-F557 HydrophobicContact CB-CZ 4.31Å; E518-F557 HydrophobicContact CG-CE2 4.04Å; E518-F557 HydrophobicContact CG-CZ 3.88Å
519	I	87.8	Confident	87.2	Confident	11 Å²	11	82.1 Å²	82.1	6%	0.056	44%	0.438	C	S	.	.	H	α-helix	trans	-62.5	-46.3	176.2	-64.7	157	0	0	0	110.5	P512 R515 R516 A522 R523 F557	P512-I519 HydrophobicContact CG-CD1 4.09Å; R515-I519 HydrophobicContact CB-CD1 4.39Å; R515-I519 VanDerWaalsContact O-CD1 3.25Å; R515-I519 WeakPolarHBondContact O-CD1 3.48Å; R515-I519 WeakPolarHBondContact O-CG1 3.4Å; R515-I519 PolarHBondContact O-N 2.73Å; R515-I519 VanDerWaalsContact O-N 3.09Å; R516-I519 PolarHBondContact O-N 3.23Å; I519-A522 PolarHBondContact O-N 3.29Å; I519-R523 VanDerWaalsContact CG2-NH1 3.31Å; I519-R523 WeakPolarHBondContact O-CB 3.09Å; I519-R523 WeakPolarHBondContact O-CG 3.49Å; I519-R523 PolarHBondContact O-N 3.02Å; I519-F557 HydrophobicContact CB-CD2 4.33Å; I519-F557 HydrophobicContact CB-CE2 4.49Å; I519-F557 HydrophobicContact CG1-CB 4.48Å; I519-F557 HydrophobicContact CG1-CD1 3.75Å; I519-F557 HydrophobicContact CG1-CD2 3.9Å; I519-F557 HydrophobicContact CG1-CE1 3.82Å; I519-F557 HydrophobicContact CG1-CE2 3.97Å; I519-F557 HydrophobicContact CG1-CG 3.79Å; I519-F557 HydrophobicContact CG1-CZ 3.92Å
520	L	85.9	Confident	87.4	Confident	102 Å²	102	81.9 Å²	81.9	53%	0.534	44%	0.435	S	S	.	.	H	α-helix	trans	-62.9	-44	179.1	-70.8	173.2	0	0	0	111	R516 D517 R523 K524	R516-L520 HydrophobicContact CG-CD1 4.1Å; R516-L520 WeakPolarHBondContact O-CG 3.39Å; R516-L520 PolarHBondContact O-N 2.99Å; D517-L520 PolarHBondContact O-N 2.81Å; L520-R523 PolarHBondContact O-N 3.16Å; L520-K524 WeakPolarHBondContact O-CB 3.45Å; L520-K524 PolarHBondContact O-N 2.69Å
521	A	90.4	Very high	88	Confident	72 Å²	72	76.3 Å²	76.3	60%	0.595	41%	0.411	S	S	*	.	H	α-helix	trans	-62	-47.6	176.8	0	0	0	0	0	111.9	D517 E518 R523 K524	D517-A521 WeakPolarHBondContact O-CB 3.38Å; D517-A521 PolarHBondContact O-N 3.42Å; E518-A521 PolarHBondContact O-N 3.48Å; A521-R523 VanDerWaalsContact C-N 3.32Å; A521-R523 PolarHBondContact O-N 3.02Å; A521-K524 PolarHBondContact O-N 2.94Å
522	A	92	Very high	88.6	Confident	20 Å²	20	72.6 Å²	72.6	17%	0.165	39%	0.391	C	S	.	.	H	α-helix	trans	-63.1	-37.3	-179.8	0	0	0	0	0	112.5	E518 I519 K525 F557	E518-A522 VanDerWaalsContact O-CB 3.31Å; E518-A522 WeakPolarHBondContact O-CB 3.44Å; E518-A522 PolarHBondContact O-N 2.84Å; I519-A522 PolarHBondContact O-N 3.29Å; A522-K525 VanDerWaalsContact O-CE 3.31Å; A522-K525 WeakPolarHBondContact O-CE 3.41Å; A522-F557 HydrophobicContact CB-CD2 4.06Å; A522-F557 HydrophobicContact CB-CE2 4.07Å
523	R	91.6	Very high	89.6	Confident	27 Å²	27	71.4 Å²	71.4	10%	0.102	38%	0.383	C	S	.	.	H	α-helix	trans	-91.8	-10.9	-176.3	-66.2	-176	-174.5	151.8	4.6	115	F510 N511 I519 L520 A521 K525 F526 T527 N556 F557	F510-R523 PolarHBondContact O-NH2 3.15Å; N511-R523 PolarHBondContact OD1-NH1 3.08Å; N511-R523 PolarHBondContact OD1-NH2 2.82Å; I519-R523 VanDerWaalsContact CG2-NH1 3.31Å; I519-R523 WeakPolarHBondContact O-CB 3.09Å; I519-R523 WeakPolarHBondContact O-CG 3.49Å; I519-R523 PolarHBondContact O-N 3.02Å; L520-R523 PolarHBondContact O-N 3.16Å; A521-R523 VanDerWaalsContact C-N 3.32Å; A521-R523 PolarHBondContact O-N 3.02Å; R523-K525 PolarHBondContact O-N 2.84Å; R523-F526 HydrophobicContact CB-CD2 4.43Å; R523-F526 PolarHBondContact O-N 3.01Å; R523-T527 PolarHBondContact O-N 3.4Å; R523-T527 PolarHBondContact O-OG1 3.32Å; R523-N556 PolarHBondContact NE-O 3.21Å; R523-F557 VanDerWaalsContact NH2-CB 3.26Å; R523-F557 PolarHBondContact NH2-O 2.82Å
524	K	92.6	Very high	90.8	Very high	163 Å²	163	65.5 Å²	65.5	71%	0.709	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-50.1	-35.7	179.4	-172.6	174.9	-178.5	179.1	0	113.1	L520 A521 F526 T527	L520-K524 WeakPolarHBondContact O-CB 3.45Å; L520-K524 PolarHBondContact O-N 2.69Å; A521-K524 PolarHBondContact O-N 2.94Å; K524-F526 PolarHBondContact O-N 3.15Å; K524-T527 WeakPolarHBondContact O-CB 3.18Å; K524-T527 PolarHBondContact O-N 2.78Å
525	K	94.2	Very high	91.7	Very high	140 Å²	140	62.1 Å²	62.1	61%	0.609	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-68.8	-12.8	178.4	67.7	-167.6	177.2	-160.6	0	115.2	A522 R523 N556	A522-K525 VanDerWaalsContact O-CE 3.31Å; A522-K525 WeakPolarHBondContact O-CE 3.41Å; R523-K525 PolarHBondContact O-N 2.84Å; K525-N556 WeakPolarHBondContact CE-OD1 3.49Å; K525-N556 PolarHBondContact NZ-OD1 2.83Å
526	F	94.9	Very high	92.3	Very high	17 Å²	17	57.5 Å²	57.5	8%	0.075	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-106.9	-15.4	177.7	-50.1	-62.8	0	0	0	113.1	R523 K524 S528 N538 I539 A542 W552 N556	R523-F526 HydrophobicContact CB-CD2 4.43Å; R523-F526 PolarHBondContact O-N 3.01Å; K524-F526 PolarHBondContact O-N 3.15Å; F526-S528 PolarHBondContact O-N 3.31Å; F526-N538 HydrophobicContact CB-CB 4.36Å; F526-N538 WeakPolarHBondContact O-CB 3.25Å; F526-N538 PolarHBondContact O-ND2 3.21Å; F526-N538 VanDerWaalsContact O-ND2 3.16Å; F526-I539 HydrophobicContact CB-CD1 4.32Å; F526-I539 HydrophobicContact CB-CG1 3.51Å; F526-I539 HydrophobicContact CD1-CG1 4.38Å; F526-I539 HydrophobicContact CD2-CG1 3.81Å; F526-I539 HydrophobicContact CG-CG1 3.65Å; F526-A542 HydrophobicContact CD1-CB 4.13Å; F526-A542 HydrophobicContact CE1-CB 3.51Å; F526-A542 HydrophobicContact CZ-CB 4.33Å; F526-W552 AromaticContact CE1-CZ2 3.93Å; F526-W552 HydrophobicContact CE1-CZ2 3.93Å; F526-W552 HydrophobicContact CE2-CZ2 4.33Å; F526-W552 HydrophobicContact CZ-CH2 4.17Å; F526-W552 AromaticContact CZ-CZ2 3.45Å; F526-W552 HydrophobicContact CZ-CZ2 3.45Å; F526-W552 VanDerWaalsContact CZ-CZ2 3.45Å; F526-N556 HydrophobicContact CE2-CB 4.14Å; F526-N556 WeakPolarHBondContact CE2-OD1 3.47Å
527	T	93.6	Very high	93	Very high	71 Å²	71	50 Å²	50	44%	0.436	27%	0.27	S	S	.	.			trans	-56.3	128.9	-179	-60.3	0	0	0	0	110.6	R523 K524 V631	R523-T527 PolarHBondContact O-N 3.4Å; R523-T527 PolarHBondContact O-OG1 3.32Å; K524-T527 WeakPolarHBondContact O-CB 3.18Å; K524-T527 PolarHBondContact O-N 2.78Å; T527-V631 HydrophobicContact CG2-CB 4.01Å; T527-V631 HydrophobicContact CG2-CG1 3.87Å
528	S	94.2	Very high	93.4	Very high	14 Å²	14	46.2 Å²	46.2	10%	0.098	25%	0.25	C	S	.	.			trans	-105.9	135.8	167.6	176.1	0	0	0	0	109.6	F526 E530 G531 T535 V631	F526-S528 PolarHBondContact O-N 3.31Å; S528-E530 PolarHBondContact O-N 2.79Å; S528-E530 WeakPolarHBondContact OG-CB 3.38Å; S528-E530 PolarHBondContact OG-N 2.94Å; S528-E530 VanDerWaalsContact OG-N 3.1Å; S528-E530 PolarHBondContact OG-OE2 3.34Å; S528-G531 PolarHBondContact O-N 3.48Å; S528-T535 PolarHBondContact N-OG1 3.01Å; S528-V631 WeakPolarHBondContact O-CG2 3.42Å
529	S	93.6	Very high	93.7	Very high	104 Å²	104	41.7 Å²	41.7	73%	0.727	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.2	171.7	52.2	0	0	0	0	112.9	L632	S529-L632 WeakPolarHBondContact O-CD2 3.46Å
530	E	94.4	Very high	94.1	Very high	33 Å²	33	41.3 Å²	41.3	15%	0.154	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-6.3	-178.4	-54.4	174.5	119.2	0	0	113.3	S528 M534 T591 R595 L658	S528-E530 PolarHBondContact O-N 2.79Å; S528-E530 WeakPolarHBondContact OG-CB 3.38Å; S528-E530 PolarHBondContact OG-N 2.94Å; S528-E530 VanDerWaalsContact OG-N 3.1Å; S528-E530 PolarHBondContact OG-OE2 3.34Å; E530-M534 HydrophobicContact CB-CG 4.13Å; E530-T591 WeakPolarHBondContact OE1-CB 3.47Å; E530-T591 PolarHBondContact OE1-OG1 3.37Å; E530-T591 WeakPolarHBondContact OE2-CB 3.3Å; E530-T591 WeakPolarHBondContact OE2-CG2 3.27Å; E530-T591 PolarHBondContact OE2-OG1 3.21Å; E530-R595 IonicContact OE1-CZ 2.88Å; E530-R595 VanDerWaalsContact OE1-CZ 3.29Å; E530-R595 IonicContact OE1-NE 3.75Å; E530-R595 PolarHBondContact OE1-NE 2.87Å; E530-R595 IonicContact OE1-NH2 2.98Å; E530-R595 PolarHBondContact OE1-NH2 2.87Å; E530-L658 WeakPolarHBondContact O-CB 3.49Å; E530-L658 PolarHBondContact O-N 3.06Å
531	G	95.1	Very high	94.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	136.1	-179.4	169.7	0	0	0	0	0	116.3	S528 T535 L656	S528-G531 PolarHBondContact O-N 3.48Å; G531-T535 PolarHBondContact O-N 2.78Å; G531-T535 VanDerWaalsContact O-N 3.09Å; G531-T535 PolarHBondContact O-OG1 2.85Å; G531-L656 CarbonylContact C-O 3.49Å; G531-L656 WeakPolarHBondContact CA-O 3.44Å
532	D	95.3	Very high	94.7	Very high	15 Å²	15	37.9 Å²	37.9	8%	0.08	20%	0.196	C	C	.	.	H	α-helix	trans	-69.5	-38.5	-177.6	-59.3	-44.4	0	0	0	111.2	M534 T535 L536 S630 V631 L656	D532-M534 VanDerWaalsContact C-N 3.33Å; D532-M534 PolarHBondContact O-N 3.06Å; D532-T535 WeakPolarHBondContact O-CB 3.5Å; D532-T535 PolarHBondContact O-N 3.16Å; D532-T535 VanDerWaalsContact O-N 3.16Å; D532-L536 WeakPolarHBondContact O-CB 3.33Å; D532-L536 WeakPolarHBondContact O-CG 3.41Å; D532-L536 PolarHBondContact O-N 2.52Å; D532-S630 VanDerWaalsContact CG-OG 3.27Å; D532-S630 WeakPolarHBondContact OD1-CA 3.46Å; D532-S630 PolarHBondContact OD1-OG 2.95Å; D532-S630 VanDerWaalsContact OD2-CB 3.24Å; D532-S630 WeakPolarHBondContact OD2-CB 3.43Å; D532-S630 PolarHBondContact OD2-OG 3.31Å; D532-V631 WeakPolarHBondContact OD1-CG2 3.16Å; D532-V631 PolarHBondContact OD1-N 2.88Å; D532-L656 PolarHBondContact N-O 3.42Å; D532-L656 PolarHBondContact OD2-N 2.9Å
533	H	95.8	Very high	94.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-45.1	176.8	-68.3	100.3	0	0	0	112.1	I499 L536 L537 L598 D655 L656	I499-H533 HydrophobicContact CG2-CB 4.43Å; H533-L536 PolarHBondContact O-N 2.96Å; H533-L537 WeakPolarHBondContact O-CB 3.12Å; H533-L537 PolarHBondContact O-N 3.31Å; H533-L598 HydrophobicContact CB-CD1 4.15Å; H533-D655 PolarHBondContact CE1-O 2.8Å; H533-D655 PolarHBondContact ND1-O 2.85Å; H533-L656 PolarHBondContact N-O 3.29Å; H533-L656 PolarHBondContact ND1-O 3.09Å
534	M	96.7	Very high	95	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-70.1	-37.2	177.5	-63.6	-49.1	94.9	0	0	111.3	I499 E530 D532 L537 N538 T591 V594 L598	I499-M534 HydrophobicContact CD1-CE 3.52Å; E530-M534 HydrophobicContact CB-CG 4.13Å; D532-M534 VanDerWaalsContact C-N 3.33Å; D532-M534 PolarHBondContact O-N 3.06Å; M534-L537 WeakPolarHBondContact O-CB 3.23Å; M534-L537 PolarHBondContact O-N 2.92Å; M534-L537 HydrophobicContact SD-CD2 4.44Å; M534-N538 WeakPolarHBondContact O-CB 3.35Å; M534-N538 VanDerWaalsContact O-CG 3.24Å; M534-N538 PolarHBondContact O-N 3.38Å; M534-N538 PolarHBondContact O-ND2 2.8Å; M534-T591 HydrophobicContact CG-CG2 4.41Å; M534-T591 HydrophobicContact SD-CG2 4.05Å; M534-V594 HydrophobicContact CE-CB 4.24Å; M534-V594 HydrophobicContact CE-CG1 3.66Å; M534-V594 HydrophobicContact SD-CB 4.26Å; M534-V594 HydrophobicContact SD-CG1 4.26Å; M534-L598 HydrophobicContact CE-CD1 4.04Å
535	T	95.8	Very high	95	Very high	14 Å²	14	42.9 Å²	42.9	9%	0.086	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-46.2	174.5	-60.1	0	0	0	0	111.2	S528 G531 D532 L537 N538 I539 V631	S528-T535 PolarHBondContact N-OG1 3.01Å; G531-T535 PolarHBondContact O-N 2.78Å; G531-T535 VanDerWaalsContact O-N 3.09Å; G531-T535 PolarHBondContact O-OG1 2.85Å; D532-T535 WeakPolarHBondContact O-CB 3.5Å; D532-T535 PolarHBondContact O-N 3.16Å; D532-T535 VanDerWaalsContact O-N 3.16Å; T535-L537 PolarHBondContact O-N 3.49Å; T535-N538 PolarHBondContact O-N 3.3Å; T535-I539 HydrophobicContact CG2-CD1 4.25Å; T535-I539 VanDerWaalsContact O-CG1 3.31Å; T535-I539 WeakPolarHBondContact O-CG1 3.34Å; T535-I539 PolarHBondContact O-N 3.44Å; T535-V631 HydrophobicContact CG2-CG1 4.43Å
536	L	95.7	Very high	95	Very high	17 Å²	17	39 Å²	39	9%	0.089	20%	0.203	C	C	.	.	H	α-helix	trans	-61.9	-42.2	175.7	-72.1	173.6	0	0	0	111.8	L502 L503 V508 L509 D532 H533 N538 I539 Y540	L502-L536 HydrophobicContact CD1-CB 4.11Å; L503-L536 HydrophobicContact CD2-CD1 4.31Å; V508-L536 HydrophobicContact CG2-CD2 4.04Å; L509-L536 HydrophobicContact CD1-CD2 4Å; L509-L536 HydrophobicContact CD2-CD2 4.42Å; L509-L536 HydrophobicContact CG-CD2 4.15Å; D532-L536 WeakPolarHBondContact O-CB 3.33Å; D532-L536 WeakPolarHBondContact O-CG 3.41Å; D532-L536 PolarHBondContact O-N 2.52Å; H533-L536 PolarHBondContact O-N 2.96Å; L536-N538 PolarHBondContact O-N 3.02Å; L536-I539 PolarHBondContact O-N 3.03Å; L536-Y540 PolarHBondContact O-N 3.08Å
537	L	96.1	Very high	94.8	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-43.7	175.5	179.9	62.7	0	0	0	111.9	E495 I499 H533 M534 T535 Y540 R541	E495-L537 HydrophobicContact CB-CD2 4.01Å; E495-L537 HydrophobicContact CG-CD1 4.48Å; E495-L537 HydrophobicContact CG-CD2 3.79Å; I499-L537 HydrophobicContact CD1-CD2 4.31Å; I499-L537 HydrophobicContact CG1-CB 4.2Å; I499-L537 HydrophobicContact CG1-CD1 4.49Å; H533-L537 WeakPolarHBondContact O-CB 3.12Å; H533-L537 PolarHBondContact O-N 3.31Å; M534-L537 WeakPolarHBondContact O-CB 3.23Å; M534-L537 PolarHBondContact O-N 2.92Å; M534-L537 HydrophobicContact SD-CD2 4.44Å; T535-L537 PolarHBondContact O-N 3.49Å; L537-Y540 PolarHBondContact O-N 3.49Å; L537-R541 HydrophobicContact CD1-CG 4.49Å; L537-R541 WeakPolarHBondContact O-CG 3.38Å; L537-R541 PolarHBondContact O-N 2.9Å
538	N	96.3	Very high	94.6	Very high	51 Å²	51	39.3 Å²	39.3	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-62	-43.8	176.7	-72.6	-18.3	0	0	0	112	F526 M534 T535 L536 Y540 R541 A542	F526-N538 HydrophobicContact CB-CB 4.36Å; F526-N538 WeakPolarHBondContact O-CB 3.25Å; F526-N538 PolarHBondContact O-ND2 3.21Å; F526-N538 VanDerWaalsContact O-ND2 3.16Å; M534-N538 WeakPolarHBondContact O-CB 3.35Å; M534-N538 VanDerWaalsContact O-CG 3.24Å; M534-N538 PolarHBondContact O-N 3.38Å; M534-N538 PolarHBondContact O-ND2 2.8Å; T535-N538 PolarHBondContact O-N 3.3Å; L536-N538 PolarHBondContact O-N 3.02Å; N538-Y540 VanDerWaalsContact C-N 3.3Å; N538-Y540 PolarHBondContact O-N 3.45Å; N538-R541 PolarHBondContact O-N 3.14Å; N538-A542 WeakPolarHBondContact O-CB 3.44Å; N538-A542 PolarHBondContact O-N 2.83Å
539	I	95.8	Very high	94.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-44.5	175.1	-66.7	171.3	0	0	0	110	L509 F526 T535 L536 A542 F543 W552 V558 M563	L509-I539 HydrophobicContact CD2-CD1 3.67Å; F526-I539 HydrophobicContact CB-CD1 4.32Å; F526-I539 HydrophobicContact CB-CG1 3.51Å; F526-I539 HydrophobicContact CD1-CG1 4.38Å; F526-I539 HydrophobicContact CD2-CG1 3.81Å; F526-I539 HydrophobicContact CG-CG1 3.65Å; T535-I539 HydrophobicContact CG2-CD1 4.25Å; T535-I539 VanDerWaalsContact O-CG1 3.31Å; T535-I539 WeakPolarHBondContact O-CG1 3.34Å; T535-I539 PolarHBondContact O-N 3.44Å; L536-I539 PolarHBondContact O-N 3.03Å; I539-A542 PolarHBondContact O-N 3.14Å; I539-F543 WeakPolarHBondContact O-CB 3.37Å; I539-F543 PolarHBondContact O-N 2.63Å; I539-W552 HydrophobicContact CG2-CH2 4.31Å; I539-V558 HydrophobicContact CG2-CG2 3.77Å; I539-M563 HydrophobicContact CG2-CE 3.6Å
540	Y	95.6	Very high	94.3	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-40.6	179.9	-172.9	-113.8	0	0	0	112.9	L502 L536 L537 N538 F543 K544 M563 V566 Q570	L502-Y540 HydrophobicContact CD1-CG 4.25Å; L502-Y540 HydrophobicContact CD2-CD2 4.22Å; L502-Y540 HydrophobicContact CD2-CG 4.42Å; L536-Y540 PolarHBondContact O-N 3.08Å; L537-Y540 PolarHBondContact O-N 3.49Å; N538-Y540 VanDerWaalsContact C-N 3.3Å; N538-Y540 PolarHBondContact O-N 3.45Å; Y540-F543 HydrophobicContact CD2-CD1 4.41Å; Y540-F543 HydrophobicContact CE2-CD1 4.4Å; Y540-F543 PolarHBondContact O-N 2.8Å; Y540-K544 HydrophobicContact CD1-CD 4.34Å; Y540-K544 HydrophobicContact CE1-CD 3.8Å; Y540-K544 HydrophobicContact CE1-CG 4.29Å; Y540-K544 PolarHBondContact O-N 2.94Å; Y540-K544 WeakPolarHBondContact OH-CE 3.37Å; Y540-M563 HydrophobicContact CD2-SD 3.87Å; Y540-M563 HydrophobicContact CE2-SD 4.48Å; Y540-V566 HydrophobicContact CD2-CG1 4.01Å; Y540-V566 HydrophobicContact CE2-CB 4.32Å; Y540-V566 HydrophobicContact CE2-CG1 3.55Å; Y540-Q570 PolarHBondContact OH-OE1 3.39Å; Y540-Q570 VanDerWaalsContact OH-OE1 3.12Å
541	R	94.8	Very high	94.2	Very high	79 Å²	79	47.4 Å²	47.4	30%	0.298	25%	0.25	S	C	.	.	H	α-helix	trans	-60.1	-45.2	173.2	-75.2	171.9	171.4	178.3	-8.3	111.4	E495 L537 N538 K544 K545 G588	E495-R541 IonicContact OE1-NH2 3.61Å; E495-R541 PolarHBondContact OE1-NH2 3.43Å; L537-R541 HydrophobicContact CD1-CG 4.49Å; L537-R541 WeakPolarHBondContact O-CG 3.38Å; L537-R541 PolarHBondContact O-N 2.9Å; N538-R541 PolarHBondContact O-N 3.14Å; R541-K544 PolarHBondContact O-N 3.16Å; R541-K545 WeakPolarHBondContact O-CB 3.43Å; R541-K545 PolarHBondContact O-N 3.28Å; R541-G588 PolarHBondContact NH1-O 2.88Å; R541-G588 PolarHBondContact NH2-O 2.98Å
542	A	95.3	Very high	94.2	Very high	23 Å²	23	49 Å²	49	19%	0.19	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-43.6	176.6	0	0	0	0	0	112	F526 N538 I539 K544 K545 V546 W552	F526-A542 HydrophobicContact CD1-CB 4.13Å; F526-A542 HydrophobicContact CE1-CB 3.51Å; F526-A542 HydrophobicContact CZ-CB 4.33Å; N538-A542 WeakPolarHBondContact O-CB 3.44Å; N538-A542 PolarHBondContact O-N 2.83Å; I539-A542 PolarHBondContact O-N 3.14Å; A542-K544 VanDerWaalsContact C-N 3.34Å; A542-K544 PolarHBondContact O-N 2.97Å; A542-K545 PolarHBondContact O-N 3.35Å; A542-V546 PolarHBondContact O-N 2.95Å; A542-V546 VanDerWaalsContact O-N 3.1Å; A542-W552 HydrophobicContact CB-CH2 4.07Å; A542-W552 HydrophobicContact CB-CZ2 3.58Å
543	F	95	Very high	94	Very high	18 Å²	18	48.4 Å²	48.4	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-44.2	174.7	173.7	-100.9	0	0	0	112.3	I539 Y540 V546 G547 G548 W552 C553 M563	I539-F543 WeakPolarHBondContact O-CB 3.37Å; I539-F543 PolarHBondContact O-N 2.63Å; Y540-F543 HydrophobicContact CD2-CD1 4.41Å; Y540-F543 HydrophobicContact CE2-CD1 4.4Å; Y540-F543 PolarHBondContact O-N 2.8Å; F543-V546 VanDerWaalsContact O-CG2 3.25Å; F543-V546 WeakPolarHBondContact O-CG2 3.16Å; F543-V546 PolarHBondContact O-N 3.37Å; F543-G547 PolarHBondContact O-N 3.06Å; F543-G548 VanDerWaalsContact CZ-CA 3.44Å; F543-G548 PolarHBondContact O-N 3.03Å; F543-G548 VanDerWaalsContact O-N 3.07Å; F543-W552 HydrophobicContact CB-CE3 4.47Å; F543-W552 HydrophobicContact CB-CH2 3.95Å; F543-W552 HydrophobicContact CB-CZ3 3.68Å; F543-W552 HydrophobicContact CD2-CE3 4.12Å; F543-W552 AromaticContact CD2-CZ3 3.9Å; F543-W552 HydrophobicContact CD2-CZ3 3.9Å; F543-W552 HydrophobicContact CG-CZ3 4.29Å; F543-C553 VanDerWaalsContact CD2-SG 3.57Å; F543-C553 WeakPolarHBondContact CE2-SG 3.42Å; F543-M563 HydrophobicContact CD1-CB 4.06Å; F543-M563 HydrophobicContact CD1-CG 4.36Å; F543-M563 HydrophobicContact CD1-SD 4.47Å; F543-M563 HydrophobicContact CD2-CB 4.28Å; F543-M563 HydrophobicContact CD2-CG 4.26Å; F543-M563 HydrophobicContact CE1-CB 3.64Å; F543-M563 HydrophobicContact CE1-CG 4.4Å; F543-M563 HydrophobicContact CE2-CB 3.85Å; F543-M563 HydrophobicContact CE2-CG 4.27Å; F543-M563 HydrophobicContact CG-CB 4.37Å; F543-M563 HydrophobicContact CG-CG 4.29Å; F543-M563 HydrophobicContact CZ-CB 3.51Å; F543-M563 HydrophobicContact CZ-CG 4.35Å
544	K	93.6	Very high	93.7	Very high	105 Å²	105	56.8 Å²	56.8	46%	0.457	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-44.6	174.3	-86.2	-172.3	159.8	177.2	0	111.9	Y540 R541 A542 V546 G547	Y540-K544 HydrophobicContact CD1-CD 4.34Å; Y540-K544 HydrophobicContact CE1-CD 3.8Å; Y540-K544 HydrophobicContact CE1-CG 4.29Å; Y540-K544 PolarHBondContact O-N 2.94Å; Y540-K544 WeakPolarHBondContact OH-CE 3.37Å; R541-K544 PolarHBondContact O-N 3.16Å; A542-K544 VanDerWaalsContact C-N 3.34Å; A542-K544 PolarHBondContact O-N 2.97Å; K544-V546 VanDerWaalsContact C-N 3.29Å; K544-V546 PolarHBondContact O-N 3.36Å; K544-G547 PolarHBondContact O-N 3.47Å
545	K	94.1	Very high	93.5	Very high	193 Å²	193	62.2 Å²	62.2	84%	0.839	31%	0.31	S	S	*	.	H	α-helix	trans	-61.1	-35.6	-179.3	-171.7	176.2	179.6	178.4	0	112.6	R541 A542 G547	R541-K545 WeakPolarHBondContact O-CB 3.43Å; R541-K545 PolarHBondContact O-N 3.28Å; A542-K545 PolarHBondContact O-N 3.35Å; K545-G547 VanDerWaalsContact C-N 3.26Å; K545-G547 PolarHBondContact O-N 3.45Å
546	V	94.6	Very high	93.3	Very high	57 Å²	57	61.6 Å²	61.6	35%	0.345	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	10.3	176.5	-57.4	0	0	0	0	113.8	A542 F543 K544 G548 N549 W552	A542-V546 PolarHBondContact O-N 2.95Å; A542-V546 VanDerWaalsContact O-N 3.1Å; F543-V546 VanDerWaalsContact O-CG2 3.25Å; F543-V546 WeakPolarHBondContact O-CG2 3.16Å; F543-V546 PolarHBondContact O-N 3.37Å; K544-V546 VanDerWaalsContact C-N 3.29Å; K544-V546 PolarHBondContact O-N 3.36Å; V546-G548 PolarHBondContact O-N 3.35Å; V546-N549 HydrophobicContact CB-CB 4.35Å; V546-N549 HydrophobicContact CG2-CB 4.19Å; V546-N549 PolarHBondContact O-N 2.75Å; V546-W552 HydrophobicContact CB-CG 4.43Å; V546-W552 HydrophobicContact CG1-CG 4.25Å; V546-W552 HydrophobicContact CG2-CB 4.12Å; V546-W552 HydrophobicContact CG2-CD2 3.79Å; V546-W552 HydrophobicContact CG2-CE3 4.12Å; V546-W552 HydrophobicContact CG2-CG 3.79Å
547	G	90.8	Very high	93.1	Very high	72 Å²	72	61.2 Å²	61.2	74%	0.742	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	24.2	177.5	0	0	0	0	0	114.4	F543 K544 K545	F543-G547 PolarHBondContact O-N 3.06Å; K544-G547 PolarHBondContact O-N 3.47Å; K545-G547 VanDerWaalsContact C-N 3.26Å; K545-G547 PolarHBondContact O-N 3.45Å
548	G	87.7	Confident	92.9	Very high	23 Å²	23	61.5 Å²	61.5	24%	0.237	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	28.6	-179.4	0	0	0	0	0	115.3	F543 V546 K550	F543-G548 VanDerWaalsContact CZ-CA 3.44Å; F543-G548 PolarHBondContact O-N 3.03Å; F543-G548 VanDerWaalsContact O-N 3.07Å; V546-G548 PolarHBondContact O-N 3.35Å; G548-K550 PolarHBondContact O-N 3.1Å
549	N	91.9	Very high	92.5	Very high	81 Å²	81	61.3 Å²	61.3	43%	0.433	31%	0.305	S	S	.	.			trans	-55.7	123	179.7	-175	-37.1	0	0	0	112.4	V546 E551 W552 C553	V546-N549 HydrophobicContact CB-CB 4.35Å; V546-N549 HydrophobicContact CG2-CB 4.19Å; V546-N549 PolarHBondContact O-N 2.75Å; N549-E551 PolarHBondContact O-N 2.8Å; N549-E551 WeakPolarHBondContact OD1-CA 3.41Å; N549-E551 VanDerWaalsContact OD1-CB 3.25Å; N549-E551 WeakPolarHBondContact OD1-CB 3.46Å; N549-E551 PolarHBondContact OD1-N 3.29Å; N549-W552 HydrophobicContact CB-CB 3.98Å; N549-W552 PolarHBondContact O-N 3.46Å; N549-W552 PolarHBondContact OD1-N 2.89Å; N549-C553 PolarHBondContact O-N 3Å; N549-C553 VanDerWaalsContact O-N 3.08Å
550	K	89.9	Confident	92.1	Very high	165 Å²	165	62.9 Å²	62.9	72%	0.717	32%	0.316	S	S	*	.	H	α-helix	trans	-66.6	-33.5	-179.4	-69.2	-178	179.9	175.1	0	113.4	G548 C553 R554	G548-K550 PolarHBondContact O-N 3.1Å; K550-C553 WeakPolarHBondContact O-CB 3.47Å; K550-C553 PolarHBondContact O-N 3.48Å; K550-R554 PolarHBondContact O-N 2.82Å
551	E	92.3	Very high	91.6	Very high	75 Å²	75	69.6 Å²	69.6	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-68.4	-45.4	177.2	-169.9	52.9	-133.2	0	0	110.3	N549 C553 R554 E555	N549-E551 PolarHBondContact O-N 2.8Å; N549-E551 WeakPolarHBondContact OD1-CA 3.41Å; N549-E551 VanDerWaalsContact OD1-CB 3.25Å; N549-E551 WeakPolarHBondContact OD1-CB 3.46Å; N549-E551 PolarHBondContact OD1-N 3.29Å; E551-C553 VanDerWaalsContact C-N 3.25Å; E551-C553 PolarHBondContact O-N 3.5Å; E551-R554 WeakPolarHBondContact O-CA 3.46Å; E551-R554 WeakPolarHBondContact O-CB 3.45Å; E551-R554 PolarHBondContact O-N 3.34Å; E551-R554 IonicContact OE1-CZ 3.35Å; E551-R554 IonicContact OE1-NE 3.71Å; E551-R554 PolarHBondContact OE1-NE 3.29Å; E551-R554 IonicContact OE1-NH2 3.85Å; E551-R554 PolarHBondContact OE1-NH2 2.91Å; E551-R554 IonicContact OE2-CZ 2.72Å; E551-R554 IonicContact OE2-NE 3.59Å; E551-R554 PolarHBondContact OE2-NE 3.16Å; E551-R554 IonicContact OE2-NH2 3.29Å; E551-E555 WeakPolarHBondContact O-CG 3.45Å; E551-E555 PolarHBondContact O-N 3.02Å
552	W	94.8	Very high	91.2	Very high	34 Å²	34	66.5 Å²	66.5	13%	0.129	33%	0.33	C	S	.	.	H	α-helix	trans	-56.5	-41.7	172	-179	93.6	0	0	0	111.5	F526 I539 A542 F543 V546 N549 R554 E555 N556 V558	F526-W552 AromaticContact CE1-CZ2 3.93Å; F526-W552 HydrophobicContact CE1-CZ2 3.93Å; F526-W552 HydrophobicContact CE2-CZ2 4.33Å; F526-W552 HydrophobicContact CZ-CH2 4.17Å; F526-W552 AromaticContact CZ-CZ2 3.45Å; F526-W552 HydrophobicContact CZ-CZ2 3.45Å; F526-W552 VanDerWaalsContact CZ-CZ2 3.45Å; I539-W552 HydrophobicContact CG2-CH2 4.31Å; A542-W552 HydrophobicContact CB-CH2 4.07Å; A542-W552 HydrophobicContact CB-CZ2 3.58Å; F543-W552 HydrophobicContact CB-CE3 4.47Å; F543-W552 HydrophobicContact CB-CH2 3.95Å; F543-W552 HydrophobicContact CB-CZ3 3.68Å; F543-W552 HydrophobicContact CD2-CE3 4.12Å; F543-W552 AromaticContact CD2-CZ3 3.9Å; F543-W552 HydrophobicContact CD2-CZ3 3.9Å; F543-W552 HydrophobicContact CG-CZ3 4.29Å; V546-W552 HydrophobicContact CB-CG 4.43Å; V546-W552 HydrophobicContact CG1-CG 4.25Å; V546-W552 HydrophobicContact CG2-CB 4.12Å; V546-W552 HydrophobicContact CG2-CD2 3.79Å; V546-W552 HydrophobicContact CG2-CE3 4.12Å; V546-W552 HydrophobicContact CG2-CG 3.79Å; N549-W552 HydrophobicContact CB-CB 3.98Å; N549-W552 PolarHBondContact O-N 3.46Å; N549-W552 PolarHBondContact OD1-N 2.89Å; W552-R554 VanDerWaalsContact C-N 3.33Å; W552-R554 PolarHBondContact O-N 2.71Å; W552-E555 PolarHBondContact O-N 2.94Å; W552-N556 PolarHBondContact NE1-ND2 2.92Å; W552-N556 WeakPolarHBondContact O-CB 3.35Å; W552-N556 PolarHBondContact O-N 2.65Å; W552-N556 PolarHBondContact O-ND2 2.87Å; W552-V558 HydrophobicContact CH2-CG2 4.47Å; W552-V558 HydrophobicContact CZ3-CB 4.37Å; W552-V558 HydrophobicContact CZ3-CG1 4.49Å; W552-V558 HydrophobicContact CZ3-CG2 4.14Å
553	C	92	Very high	91.1	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.014	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-43.2	174.2	-77.5	0	0	0	0	112.3	F543 N549 K550 E551 N556 F557 V558	F543-C553 VanDerWaalsContact CD2-SG 3.57Å; F543-C553 WeakPolarHBondContact CE2-SG 3.42Å; N549-C553 PolarHBondContact O-N 3Å; N549-C553 VanDerWaalsContact O-N 3.08Å; K550-C553 WeakPolarHBondContact O-CB 3.47Å; K550-C553 PolarHBondContact O-N 3.48Å; E551-C553 VanDerWaalsContact C-N 3.25Å; E551-C553 PolarHBondContact O-N 3.5Å; C553-N556 PolarHBondContact O-N 3.29Å; C553-F557 PolarHBondContact O-N 3.02Å; C553-F557 VanDerWaalsContact O-N 3.1Å; C553-V558 HydrophobicContact CB-CB 4.33Å; C553-V558 WeakPolarHBondContact CB-O 3.44Å; C553-V558 PolarHBondContact O-N 3.46Å
554	R	89.1	Confident	90.8	Very high	177 Å²	177	65.9 Å²	65.9	67%	0.668	33%	0.332	S	S	*	.	H	α-helix	trans	-62.4	-48.9	178.6	-170.6	178.8	74.6	123.1	1.4	111.5	K550 E551 W552 N556 F557	K550-R554 PolarHBondContact O-N 2.82Å; E551-R554 WeakPolarHBondContact O-CA 3.46Å; E551-R554 WeakPolarHBondContact O-CB 3.45Å; E551-R554 PolarHBondContact O-N 3.34Å; E551-R554 IonicContact OE1-CZ 3.35Å; E551-R554 IonicContact OE1-NE 3.71Å; E551-R554 PolarHBondContact OE1-NE 3.29Å; E551-R554 IonicContact OE1-NH2 3.85Å; E551-R554 PolarHBondContact OE1-NH2 2.91Å; E551-R554 IonicContact OE2-CZ 2.72Å; E551-R554 IonicContact OE2-NE 3.59Å; E551-R554 PolarHBondContact OE2-NE 3.16Å; E551-R554 IonicContact OE2-NH2 3.29Å; W552-R554 VanDerWaalsContact C-N 3.33Å; W552-R554 PolarHBondContact O-N 2.71Å; R554-N556 VanDerWaalsContact C-N 3.29Å; R554-N556 PolarHBondContact O-N 3.39Å; R554-F557 PolarHBondContact O-N 3.09Å
555	E	91.8	Very high	90.4	Very high	116 Å²	116	62.4 Å²	62.4	54%	0.542	32%	0.318	S	S	.	.	H	α-helix	trans	-63.6	-32	-179.8	-68.5	174.9	171.5	0	0	113.2	E551 W552	E551-E555 WeakPolarHBondContact O-CG 3.45Å; E551-E555 PolarHBondContact O-N 3.02Å; W552-E555 PolarHBondContact O-N 2.94Å
556	N	92.9	Very high	90.4	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	9.4	-177.7	-62.8	-80.9	0	0	0	113.1	R523 K525 F526 W552 C553 R554 V558	R523-N556 PolarHBondContact NE-O 3.21Å; K525-N556 WeakPolarHBondContact CE-OD1 3.49Å; K525-N556 PolarHBondContact NZ-OD1 2.83Å; F526-N556 HydrophobicContact CE2-CB 4.14Å; F526-N556 WeakPolarHBondContact CE2-OD1 3.47Å; W552-N556 PolarHBondContact NE1-ND2 2.92Å; W552-N556 WeakPolarHBondContact O-CB 3.35Å; W552-N556 PolarHBondContact O-N 2.65Å; W552-N556 PolarHBondContact O-ND2 2.87Å; C553-N556 PolarHBondContact O-N 3.29Å; R554-N556 VanDerWaalsContact C-N 3.29Å; R554-N556 PolarHBondContact O-N 3.39Å; N556-V558 HydrophobicContact CB-CG2 4.21Å; N556-V558 PolarHBondContact O-N 3.08Å
557	F	90.9	Very high	90.3	Very high	8 Å²	8	56.8 Å²	56.8	4%	0.035	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	38.4	-178	-59.2	-92.7	0	0	0	113.2	F510 P512 E518 I519 A522 R523 C553 R554	F510-F557 WeakPolarHBondContact CB-O 3.31Å; F510-F557 HydrophobicContact CD1-CD1 4.44Å; F510-F557 PolarHBondContact N-O 2.97Å; F510-F557 WeakPolarHBondContact O-CB 3.49Å; P512-F557 HydrophobicContact CG-CD1 3.99Å; P512-F557 HydrophobicContact CG-CE1 3.96Å; E518-F557 HydrophobicContact CB-CZ 4.31Å; E518-F557 HydrophobicContact CG-CE2 4.04Å; E518-F557 HydrophobicContact CG-CZ 3.88Å; I519-F557 HydrophobicContact CB-CD2 4.33Å; I519-F557 HydrophobicContact CB-CE2 4.49Å; I519-F557 HydrophobicContact CG1-CB 4.48Å; I519-F557 HydrophobicContact CG1-CD1 3.75Å; I519-F557 HydrophobicContact CG1-CD2 3.9Å; I519-F557 HydrophobicContact CG1-CE1 3.82Å; I519-F557 HydrophobicContact CG1-CE2 3.97Å; I519-F557 HydrophobicContact CG1-CG 3.79Å; I519-F557 HydrophobicContact CG1-CZ 3.92Å; A522-F557 HydrophobicContact CB-CD2 4.06Å; A522-F557 HydrophobicContact CB-CE2 4.07Å; R523-F557 VanDerWaalsContact NH2-CB 3.26Å; R523-F557 PolarHBondContact NH2-O 2.82Å; C553-F557 PolarHBondContact O-N 3.02Å; C553-F557 VanDerWaalsContact O-N 3.1Å; R554-F557 PolarHBondContact O-N 3.09Å
558	V	91.3	Very high	90.3	Very high	9 Å²	9	57.2 Å²	57.2	6%	0.055	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-101.7	136.9	178	174.5	0	0	0	0	109.5	V508 I539 W552 C553 N556 S560 M563	V508-V558 CarbonylContact O-C 3.57Å; V508-V558 WeakPolarHBondContact O-CA 3.46Å; I539-V558 HydrophobicContact CG2-CG2 3.77Å; W552-V558 HydrophobicContact CH2-CG2 4.47Å; W552-V558 HydrophobicContact CZ3-CB 4.37Å; W552-V558 HydrophobicContact CZ3-CG1 4.49Å; W552-V558 HydrophobicContact CZ3-CG2 4.14Å; C553-V558 HydrophobicContact CB-CB 4.33Å; C553-V558 WeakPolarHBondContact CB-O 3.44Å; C553-V558 PolarHBondContact O-N 3.46Å; N556-V558 HydrophobicContact CB-CG2 4.21Å; N556-V558 PolarHBondContact O-N 3.08Å; V558-S560 PolarHBondContact O-N 3.29Å; V558-M563 HydrophobicContact CG1-CE 3.46Å; V558-M563 VanDerWaalsContact CG1-CE 3.46Å; V558-M563 HydrophobicContact CG1-CG 3.46Å; V558-M563 VanDerWaalsContact CG1-CG 3.46Å; V558-M563 HydrophobicContact CG1-SD 4.31Å
559	N	88.4	Confident	90.5	Very high	47 Å²	47	56.3 Å²	56.3	25%	0.251	26%	0.264	S	S	.	.			trans	-79.9	101.3	175.4	-174	-28.8	0	0	0	110.5	V508 R561 N562 M563	V508-N559 PolarHBondContact O-N 3.41Å; N559-R561 VanDerWaalsContact C-N 3.26Å; N559-R561 PolarHBondContact O-N 3.44Å; N559-R561 WeakPolarHBondContact OD1-CB 3.49Å; N559-R561 PolarHBondContact OD1-N 2.78Å; N559-R561 VanDerWaalsContact OD1-N 3.08Å; N559-N562 HydrophobicContact CB-CB 4.1Å; N559-N562 PolarHBondContact ND2-ND2 3.04Å; N559-N562 PolarHBondContact O-N 3.44Å; N559-N562 PolarHBondContact OD1-N 2.61Å; N559-N562 VanDerWaalsContact OD1-N 3.16Å; N559-M563 PolarHBondContact O-N 3.26Å
560	S	87.9	Confident	90.7	Very high	34 Å²	34	53.1 Å²	53.1	24%	0.238	25%	0.246	C	C	.	.	H	α-helix	trans	-55.6	-36.9	-179.8	176.7	0	0	0	0	113.3	V558 M563 G564	V558-S560 PolarHBondContact O-N 3.29Å; S560-M563 PolarHBondContact O-N 3.13Å; S560-G564 PolarHBondContact O-N 2.82Å
561	R	84.1	Confident	90.9	Very high	142 Å²	142	48 Å²	48	54%	0.536	24%	0.235	S	C	.	.	H	α-helix	trans	-66.9	-48	178.2	178.6	-174.7	174.7	146.1	0.6	111.2	N559 M563 G564 L565	N559-R561 VanDerWaalsContact C-N 3.26Å; N559-R561 PolarHBondContact O-N 3.44Å; N559-R561 WeakPolarHBondContact OD1-CB 3.49Å; N559-R561 PolarHBondContact OD1-N 2.78Å; N559-R561 VanDerWaalsContact OD1-N 3.08Å; R561-M563 VanDerWaalsContact C-N 3.27Å; R561-M563 PolarHBondContact O-N 2.9Å; R561-G564 WeakPolarHBondContact O-CA 3.28Å; R561-G564 PolarHBondContact O-N 3.45Å; R561-G564 VanDerWaalsContact O-N 3.1Å; R561-L565 PolarHBondContact O-N 3.3Å; R561-L565 VanDerWaalsContact O-N 3.07Å
562	N	87.1	Confident	90.9	Very high	14 Å²	14	47.1 Å²	47.1	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-36.1	-180	-68.1	6.2	0	0	0	110.4	V505 D506 T507 V508 N559 G564 L565 V566	V505-N562 HydrophobicContact CG1-CB 3.96Å; D506-N562 PolarHBondContact O-ND2 2.9Å; T507-N562 PolarHBondContact O-ND2 3.13Å; V508-N562 HydrophobicContact CG1-CB 4.06Å; N559-N562 HydrophobicContact CB-CB 4.1Å; N559-N562 PolarHBondContact ND2-ND2 3.04Å; N559-N562 PolarHBondContact O-N 3.44Å; N559-N562 PolarHBondContact OD1-N 2.61Å; N559-N562 VanDerWaalsContact OD1-N 3.16Å; N562-G564 VanDerWaalsContact C-N 3.31Å; N562-G564 PolarHBondContact O-N 3.46Å; N562-L565 WeakPolarHBondContact O-CB 3.48Å; N562-L565 PolarHBondContact O-N 3.06Å; N562-L565 VanDerWaalsContact O-N 3.16Å; N562-V566 VanDerWaalsContact O-CG2 3.31Å; N562-V566 WeakPolarHBondContact O-CG2 3.13Å; N562-V566 PolarHBondContact O-N 3.49Å
563	M	92	Very high	90.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-35.2	171.7	-73.8	-62.2	-166.7	0	0	113.5	L502 V508 I539 Y540 F543 V558 N559 S560 R561 V566 K567	L502-M563 HydrophobicContact CD2-CE 4.28Å; L502-M563 HydrophobicContact CD2-SD 4.1Å; V508-M563 HydrophobicContact CB-CE 3.88Å; V508-M563 HydrophobicContact CB-SD 4.12Å; V508-M563 HydrophobicContact CG1-CE 4.38Å; V508-M563 HydrophobicContact CG1-SD 4.01Å; V508-M563 HydrophobicContact CG2-CE 3.88Å; I539-M563 HydrophobicContact CG2-CE 3.6Å; Y540-M563 HydrophobicContact CD2-SD 3.87Å; Y540-M563 HydrophobicContact CE2-SD 4.48Å; F543-M563 HydrophobicContact CD1-CB 4.06Å; F543-M563 HydrophobicContact CD1-CG 4.36Å; F543-M563 HydrophobicContact CD1-SD 4.47Å; F543-M563 HydrophobicContact CD2-CB 4.28Å; F543-M563 HydrophobicContact CD2-CG 4.26Å; F543-M563 HydrophobicContact CE1-CB 3.64Å; F543-M563 HydrophobicContact CE1-CG 4.4Å; F543-M563 HydrophobicContact CE2-CB 3.85Å; F543-M563 HydrophobicContact CE2-CG 4.27Å; F543-M563 HydrophobicContact CG-CB 4.37Å; F543-M563 HydrophobicContact CG-CG 4.29Å; F543-M563 HydrophobicContact CZ-CB 3.51Å; F543-M563 HydrophobicContact CZ-CG 4.35Å; V558-M563 HydrophobicContact CG1-CE 3.46Å; V558-M563 VanDerWaalsContact CG1-CE 3.46Å; V558-M563 HydrophobicContact CG1-CG 3.46Å; V558-M563 VanDerWaalsContact CG1-CG 3.46Å; V558-M563 HydrophobicContact CG1-SD 4.31Å; N559-M563 PolarHBondContact O-N 3.26Å; S560-M563 PolarHBondContact O-N 3.13Å; R561-M563 VanDerWaalsContact C-N 3.27Å; R561-M563 PolarHBondContact O-N 2.9Å; M563-V566 PolarHBondContact O-N 2.82Å; M563-K567 PolarHBondContact O-N 3.24Å; M563-K567 VanDerWaalsContact O-N 3.15Å
564	G	89.4	Confident	91.2	Very high	29 Å²	29	49.6 Å²	49.6	30%	0.299	24%	0.24	S	C	.	.	H	α-helix	trans	-59.2	-50.3	169.2	0	0	0	0	0	111.7	S560 R561 N562 V566 K567 D568	S560-G564 PolarHBondContact O-N 2.82Å; R561-G564 WeakPolarHBondContact O-CA 3.28Å; R561-G564 PolarHBondContact O-N 3.45Å; R561-G564 VanDerWaalsContact O-N 3.1Å; N562-G564 VanDerWaalsContact C-N 3.31Å; N562-G564 PolarHBondContact O-N 3.46Å; G564-V566 VanDerWaalsContact C-N 3.3Å; G564-V566 PolarHBondContact O-N 2.89Å; G564-K567 VanDerWaalsContact O-CB 3.32Å; G564-K567 WeakPolarHBondContact O-CB 3.46Å; G564-K567 PolarHBondContact O-N 3.4Å; G564-D568 PolarHBondContact O-N 3.02Å; G564-D568 VanDerWaalsContact O-N 3.13Å
565	L	86.4	Confident	91.4	Very high	32 Å²	32	45.8 Å²	45.8	17%	0.168	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-38.9	176.1	-67	174.9	0	0	0	112.5	V505 R561 N562 K567 D568 V569	V505-L565 HydrophobicContact CG1-CB 3.98Å; V505-L565 HydrophobicContact CG1-CD1 4.13Å; V505-L565 HydrophobicContact CG2-CB 4.17Å; R561-L565 PolarHBondContact O-N 3.3Å; R561-L565 VanDerWaalsContact O-N 3.07Å; N562-L565 WeakPolarHBondContact O-CB 3.48Å; N562-L565 PolarHBondContact O-N 3.06Å; N562-L565 VanDerWaalsContact O-N 3.16Å; L565-K567 VanDerWaalsContact C-N 3.29Å; L565-K567 PolarHBondContact O-N 2.95Å; L565-D568 PolarHBondContact O-N 3.37Å; L565-D568 VanDerWaalsContact O-N 3.16Å; L565-V569 WeakPolarHBondContact O-CG2 3.36Å; L565-V569 PolarHBondContact O-N 2.96Å
566	V	93.6	Very high	91.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.2	-40	175.5	169.7	0	0	0	0	111.1	L502 V505 V508 Y540 N562 M563 G564 D568 Q570	L502-V566 HydrophobicContact CD2-CG1 3.91Å; L502-V566 HydrophobicContact CD2-CG2 4.12Å; L502-V566 HydrophobicContact CG-CG1 3.94Å; V505-V566 HydrophobicContact CB-CG2 3.96Å; V505-V566 HydrophobicContact CG1-CG2 4.42Å; V505-V566 HydrophobicContact CG2-CG2 3.8Å; V508-V566 HydrophobicContact CG1-CG2 3.86Å; Y540-V566 HydrophobicContact CD2-CG1 4.01Å; Y540-V566 HydrophobicContact CE2-CB 4.32Å; Y540-V566 HydrophobicContact CE2-CG1 3.55Å; N562-V566 VanDerWaalsContact O-CG2 3.31Å; N562-V566 WeakPolarHBondContact O-CG2 3.13Å; N562-V566 PolarHBondContact O-N 3.49Å; M563-V566 PolarHBondContact O-N 2.82Å; G564-V566 VanDerWaalsContact C-N 3.3Å; G564-V566 PolarHBondContact O-N 2.89Å; V566-D568 VanDerWaalsContact C-N 3.35Å; V566-Q570 VanDerWaalsContact O-CB 3.3Å; V566-Q570 WeakPolarHBondContact O-CB 2.98Å; V566-Q570 PolarHBondContact O-N 2.87Å
567	K	92.9	Very high	91.7	Very high	132 Å²	132	41.3 Å²	41.3	57%	0.574	21%	0.209	S	C	*	.	H	α-helix	trans	-62.9	-42.5	174.9	-174.6	-174.6	174.4	-174.4	0	111.3	M563 G564 L565 Q570 A571	M563-K567 PolarHBondContact O-N 3.24Å; M563-K567 VanDerWaalsContact O-N 3.15Å; G564-K567 VanDerWaalsContact O-CB 3.32Å; G564-K567 WeakPolarHBondContact O-CB 3.46Å; G564-K567 PolarHBondContact O-N 3.4Å; L565-K567 VanDerWaalsContact C-N 3.29Å; L565-K567 PolarHBondContact O-N 2.95Å; K567-Q570 PolarHBondContact O-N 3.47Å; K567-A571 WeakPolarHBondContact O-CB 3.3Å; K567-A571 PolarHBondContact O-N 2.87Å
568	D	89.9	Confident	91.9	Very high	81 Å²	81	45.6 Å²	45.6	43%	0.433	23%	0.232	S	C	.	.	H	α-helix	trans	-66.6	-44.3	179.1	-58.7	-27.3	0	0	0	111.3	G564 L565 V566 A571 Q572	G564-D568 PolarHBondContact O-N 3.02Å; G564-D568 VanDerWaalsContact O-N 3.13Å; L565-D568 PolarHBondContact O-N 3.37Å; L565-D568 VanDerWaalsContact O-N 3.16Å; V566-D568 VanDerWaalsContact C-N 3.35Å; D568-A571 PolarHBondContact O-N 3.24Å; D568-Q572 WeakPolarHBondContact O-CG 2.94Å; D568-Q572 PolarHBondContact O-N 2.95Å; D568-Q572 VanDerWaalsContact O-N 3.08Å
569	V	92.4	Very high	92	Very high	4 Å²	4	52 Å²	52	2%	0.024	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-49.8	173.9	175.3	0	0	0	0	110.4	F131 V505 L565 A571 Q572 L573	F131-V569 HydrophobicContact CB-CG2 3.74Å; F131-V569 HydrophobicContact CD1-CB 4.23Å; F131-V569 HydrophobicContact CD1-CG1 3.98Å; F131-V569 HydrophobicContact CD1-CG2 4.1Å; F131-V569 HydrophobicContact CD2-CB 4.32Å; F131-V569 HydrophobicContact CD2-CG1 4.14Å; F131-V569 HydrophobicContact CD2-CG2 3.45Å; F131-V569 VanDerWaalsContact CD2-CG2 3.45Å; F131-V569 HydrophobicContact CE1-CG1 3.76Å; F131-V569 HydrophobicContact CE2-CG1 3.9Å; F131-V569 HydrophobicContact CE2-CG2 4Å; F131-V569 HydrophobicContact CG-CB 4.14Å; F131-V569 HydrophobicContact CG-CG1 4.17Å; F131-V569 HydrophobicContact CG-CG2 3.5Å; F131-V569 VanDerWaalsContact CG-CG2 3.5Å; F131-V569 HydrophobicContact CZ-CG1 3.71Å; V505-V569 HydrophobicContact CG2-CG2 3.78Å; L565-V569 WeakPolarHBondContact O-CG2 3.36Å; L565-V569 PolarHBondContact O-N 2.96Å; V569-A571 VanDerWaalsContact C-N 3.32Å; V569-A571 PolarHBondContact O-N 3.26Å; V569-Q572 PolarHBondContact O-N 2.78Å; V569-L573 HydrophobicContact CG1-CD1 3.87Å; V569-L573 HydrophobicContact CG1-CG 4.25Å; V569-L573 WeakPolarHBondContact O-CG 3.31Å; V569-L573 PolarHBondContact O-N 2.89Å
570	Q	95.3	Very high	92.3	Very high	13 Å²	13	51.6 Å²	51.6	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-44.3	178.9	174.8	172.5	75.5	0	0	111.6	S498 S501 Y540 V566 K567 Q572 L573 R574	S498-Q570 PolarHBondContact OG-NE2 3.25Å; S501-Q570 VanDerWaalsContact OG-CA 3.23Å; S501-Q570 WeakPolarHBondContact OG-CA 3.5Å; S501-Q570 WeakPolarHBondContact OG-CB 3.35Å; S501-Q570 PolarHBondContact OG-N 3.46Å; Y540-Q570 PolarHBondContact OH-OE1 3.39Å; Y540-Q570 VanDerWaalsContact OH-OE1 3.12Å; V566-Q570 VanDerWaalsContact O-CB 3.3Å; V566-Q570 WeakPolarHBondContact O-CB 2.98Å; V566-Q570 PolarHBondContact O-N 2.87Å; K567-Q570 PolarHBondContact O-N 3.47Å; Q570-Q572 VanDerWaalsContact C-N 3.34Å; Q570-Q572 PolarHBondContact O-N 2.69Å; Q570-L573 PolarHBondContact O-N 3.1Å; Q570-R574 VanDerWaalsContact O-CB 3.29Å; Q570-R574 WeakPolarHBondContact O-CB 3.4Å; Q570-R574 PolarHBondContact O-N 3.3Å
571	A	94.1	Very high	92.6	Very high	58 Å²	58	57.2 Å²	57.2	48%	0.479	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-42.3	179.2	0	0	0	0	0	111.9	K567 D568 V569 R574 E575	K567-A571 WeakPolarHBondContact O-CB 3.3Å; K567-A571 PolarHBondContact O-N 2.87Å; D568-A571 PolarHBondContact O-N 3.24Å; V569-A571 VanDerWaalsContact C-N 3.32Å; V569-A571 PolarHBondContact O-N 3.26Å; A571-R574 WeakPolarHBondContact O-CB 3.4Å; A571-R574 PolarHBondContact O-N 3.4Å; A571-E575 PolarHBondContact O-N 2.92Å
572	Q	92.7	Very high	93.1	Very high	56 Å²	56	51.3 Å²	51.3	26%	0.262	26%	0.263	S	S	.	.	H	α-helix	trans	-69.7	-41.8	177.4	-69.5	-172.1	19.7	0	0	113	F131 D568 V569 Q570 R574 E575 I576	F131-Q572 VanDerWaalsContact CA-OE1 3.27Å; F131-Q572 HydrophobicContact CD1-CB 4.45Å; F131-Q572 PolarHBondContact O-NE2 3.04Å; D568-Q572 WeakPolarHBondContact O-CG 2.94Å; D568-Q572 PolarHBondContact O-N 2.95Å; D568-Q572 VanDerWaalsContact O-N 3.08Å; V569-Q572 PolarHBondContact O-N 2.78Å; Q570-Q572 VanDerWaalsContact C-N 3.34Å; Q570-Q572 PolarHBondContact O-N 2.69Å; Q572-R574 VanDerWaalsContact C-N 3.27Å; Q572-R574 PolarHBondContact O-N 3.3Å; Q572-E575 WeakPolarHBondContact O-CB 3.39Å; Q572-E575 PolarHBondContact O-N 3Å; Q572-I576 WeakPolarHBondContact O-CG1 3.36Å; Q572-I576 PolarHBondContact O-N 3.16Å
573	L	95.7	Very high	93.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-39.5	175.1	-67.4	178.2	0	0	0	110.7	F131 F474 L476 I484 L497 V500 V569 Q570 I576 C577	F131-L573 HydrophobicContact CE1-CD2 4.21Å; F131-L573 HydrophobicContact CE1-CG 4.4Å; F474-L573 HydrophobicContact CD1-CD2 3.98Å; L476-L573 HydrophobicContact CD1-CD1 4.29Å; L476-L573 HydrophobicContact CD1-CD2 3.76Å; L476-L573 HydrophobicContact CD2-CD2 4.3Å; L476-L573 HydrophobicContact CG-CD2 4.07Å; I484-L573 HydrophobicContact CD1-CD1 4.21Å; I484-L573 HydrophobicContact CD1-CD2 4.48Å; L497-L573 HydrophobicContact CD2-CB 3.64Å; L497-L573 HydrophobicContact CD2-CD1 4.49Å; V500-L573 HydrophobicContact CG1-CD1 4.23Å; V569-L573 HydrophobicContact CG1-CD1 3.87Å; V569-L573 HydrophobicContact CG1-CG 4.25Å; V569-L573 WeakPolarHBondContact O-CG 3.31Å; V569-L573 PolarHBondContact O-N 2.89Å; Q570-L573 PolarHBondContact O-N 3.1Å; L573-I576 HydrophobicContact CD2-CD1 4.48Å; L573-I576 PolarHBondContact O-N 2.86Å; L573-C577 PolarHBondContact O-N 2.63Å; L573-C577 PolarHBondContact O-SG 3.34Å
574	R	96.3	Very high	93.6	Very high	88 Å²	88	58.5 Å²	58.5	33%	0.332	30%	0.295	S	S	.	.	H	α-helix	trans	-58.1	-47	172.4	-167.8	-164.4	-169.9	76.7	6.2	111.6	E494 L497 Q570 A571 Q572 I576 C577 L578 L584	E494-R574 IonicContact OE1-CZ 3.99Å; E494-R574 IonicContact OE1-NH1 2.66Å; E494-R574 PolarHBondContact OE1-NH1 3.44Å; E494-R574 IonicContact OE1-NH2 3.36Å; E494-R574 PolarHBondContact OE1-NH2 3.45Å; E494-R574 IonicContact OE2-NH1 3.77Å; E494-R574 PolarHBondContact OE2-NH1 3.32Å; L497-R574 HydrophobicContact CD1-CB 4.5Å; Q570-R574 VanDerWaalsContact O-CB 3.29Å; Q570-R574 WeakPolarHBondContact O-CB 3.4Å; Q570-R574 PolarHBondContact O-N 3.3Å; A571-R574 WeakPolarHBondContact O-CB 3.4Å; A571-R574 PolarHBondContact O-N 3.4Å; Q572-R574 VanDerWaalsContact C-N 3.27Å; Q572-R574 PolarHBondContact O-N 3.3Å; R574-I576 VanDerWaalsContact C-N 3.31Å; R574-I576 PolarHBondContact O-N 3.48Å; R574-C577 WeakPolarHBondContact O-CB 3.24Å; R574-C577 PolarHBondContact O-N 2.99Å; R574-C577 VanDerWaalsContact O-N 3.13Å; R574-L578 HydrophobicContact CG-CD1 4.43Å; R574-L578 WeakPolarHBondContact O-CG 3.43Å; R574-L578 PolarHBondContact O-N 2.8Å; R574-L584 HydrophobicContact CG-CD1 3.45Å; R574-L584 VanDerWaalsContact CG-CD1 3.45Å
575	E	94.7	Very high	93.8	Very high	98 Å²	98	59.8 Å²	59.8	46%	0.458	29%	0.293	S	S	.	.	H	α-helix	trans	-59.8	-42.1	178.4	-168.1	-167.2	155.5	0	0	111.8	A571 Q572 C577 L578 K579	A571-E575 PolarHBondContact O-N 2.92Å; Q572-E575 WeakPolarHBondContact O-CB 3.39Å; Q572-E575 PolarHBondContact O-N 3Å; E575-C577 VanDerWaalsContact C-N 3.35Å; E575-L578 PolarHBondContact O-N 3.01Å; E575-K579 WeakPolarHBondContact O-CG 3.32Å; E575-K579 PolarHBondContact O-N 3.14Å; E575-K579 WeakPolarHBondContact OE1-CE 3.15Å; E575-K579 IonicContact OE1-NZ 3.25Å; E575-K579 PolarHBondContact OE1-NZ 3.47Å
576	I	94.1	Very high	94.2	Very high	22 Å²	22	61.6 Å²	61.6	11%	0.113	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-43.6	174.8	-62.9	164.3	0	0	0	110.3	F474 Q572 L573 R574 L578 K579 L580	F474-I576 HydrophobicContact CD1-CB 4.32Å; F474-I576 HydrophobicContact CD1-CD1 4.35Å; F474-I576 HydrophobicContact CD1-CG2 3.78Å; F474-I576 HydrophobicContact CE1-CB 4.03Å; F474-I576 HydrophobicContact CE1-CG2 3.54Å; F474-I576 HydrophobicContact CE2-CG2 4.34Å; F474-I576 HydrophobicContact CG-CG2 4.3Å; F474-I576 HydrophobicContact CZ-CG2 3.85Å; Q572-I576 WeakPolarHBondContact O-CG1 3.36Å; Q572-I576 PolarHBondContact O-N 3.16Å; L573-I576 HydrophobicContact CD2-CD1 4.48Å; L573-I576 PolarHBondContact O-N 2.86Å; R574-I576 VanDerWaalsContact C-N 3.31Å; R574-I576 PolarHBondContact O-N 3.48Å; I576-L578 VanDerWaalsContact C-N 3.32Å; I576-L578 PolarHBondContact O-N 2.82Å; I576-K579 PolarHBondContact O-N 2.82Å; I576-L580 HydrophobicContact CG2-CD1 3.95Å; I576-L580 HydrophobicContact CG2-CG 4.38Å; I576-L580 WeakPolarHBondContact O-CB 3.47Å; I576-L580 WeakPolarHBondContact O-CG 3.28Å; I576-L580 PolarHBondContact O-N 2.87Å
577	C	96.3	Very high	94.1	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.007	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-44.2	177.3	-66.4	0	0	0	0	111.9	I484 L573 R574 E575 L580 N581 L582 L584	I484-C577 VanDerWaalsContact CG2-SG 3.5Å; L573-C577 PolarHBondContact O-N 2.63Å; L573-C577 PolarHBondContact O-SG 3.34Å; R574-C577 WeakPolarHBondContact O-CB 3.24Å; R574-C577 PolarHBondContact O-N 2.99Å; R574-C577 VanDerWaalsContact O-N 3.13Å; E575-C577 VanDerWaalsContact C-N 3.35Å; C577-L580 CarbonylContact O-C 3.55Å; C577-L580 PolarHBondContact O-N 3.41Å; C577-N581 PolarHBondContact O-N 2.96Å; C577-L582 HydrophobicContact CB-CB 4.04Å; C577-L582 HydrophobicContact CB-CD1 3.88Å; C577-L582 HydrophobicContact CB-CG 4.49Å; C577-L582 WeakPolarHBondContact O-CB 3.5Å; C577-L582 PolarHBondContact O-N 3.3Å; C577-L584 HydrophobicContact CB-CD2 3.87Å
578	L	95.2	Very high	94	Very high	98 Å²	98	58.1 Å²	58.1	51%	0.513	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-43.4	176.1	-67.9	172.8	0	0	0	111.8	R574 E575 I576 L580 N581 L584	R574-L578 HydrophobicContact CG-CD1 4.43Å; R574-L578 WeakPolarHBondContact O-CG 3.43Å; R574-L578 PolarHBondContact O-N 2.8Å; E575-L578 PolarHBondContact O-N 3.01Å; I576-L578 VanDerWaalsContact C-N 3.32Å; I576-L578 PolarHBondContact O-N 2.82Å; L578-L580 PolarHBondContact O-N 2.9Å; L578-N581 PolarHBondContact O-N 3.47Å; L578-L584 HydrophobicContact CD2-CD1 3.78Å; L578-L584 HydrophobicContact CG-CD1 4.03Å
579	K	94.1	Very high	94	Very high	144 Å²	144	58.5 Å²	58.5	63%	0.626	32%	0.321	S	S	*	.	H	α-helix	trans	-62	-30.9	174.8	-73.5	175.5	-175.8	169.2	0	113	E575 I576 N581	E575-K579 WeakPolarHBondContact O-CG 3.32Å; E575-K579 PolarHBondContact O-N 3.14Å; E575-K579 WeakPolarHBondContact OE1-CE 3.15Å; E575-K579 IonicContact OE1-NZ 3.25Å; E575-K579 PolarHBondContact OE1-NZ 3.47Å; I576-K579 PolarHBondContact O-N 2.82Å; K579-N581 VanDerWaalsContact C-N 3.27Å
580	L	94.4	Very high	93.9	Very high	38 Å²	38	61.9 Å²	61.9	20%	0.199	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	9.7	175.8	-65.7	178.3	0	0	0	113.3	R470 F474 L485 I576 C577 L578 L582	R470-L580 HydrophobicContact CB-CD1 4.48Å; R470-L580 PolarHBondContact NH2-O 3.13Å; R470-L580 VanDerWaalsContact NH2-O 3.17Å; F474-L580 HydrophobicContact CD2-CD1 4.46Å; F474-L580 HydrophobicContact CE2-CD1 3.54Å; F474-L580 HydrophobicContact CZ-CD1 3.72Å; L485-L580 HydrophobicContact CD2-CD1 4.46Å; I576-L580 HydrophobicContact CG2-CD1 3.95Å; I576-L580 HydrophobicContact CG2-CG 4.38Å; I576-L580 WeakPolarHBondContact O-CB 3.47Å; I576-L580 WeakPolarHBondContact O-CG 3.28Å; I576-L580 PolarHBondContact O-N 2.87Å; C577-L580 CarbonylContact O-C 3.55Å; C577-L580 PolarHBondContact O-N 3.41Å; L578-L580 PolarHBondContact O-N 2.9Å; L580-L582 HydrophobicContact CB-CG 4.37Å; L580-L582 PolarHBondContact O-N 2.72Å
581	N	94.8	Very high	93.8	Very high	152 Å²	152	62.8 Å²	62.8	81%	0.813	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	37	-178.1	-59.8	-47.7	0	0	0	113.7	C577 L578 K579	C577-N581 PolarHBondContact O-N 2.96Å; L578-N581 PolarHBondContact O-N 3.47Å; K579-N581 VanDerWaalsContact C-N 3.27Å
582	L	94.8	Very high	93.8	Very high	18 Å²	18	60.5 Å²	60.5	9%	0.094	33%	0.328	C	S	.	.			trans	-78.2	135.6	173.2	-69.2	173.4	0	0	0	110.6	F474 I484 L485 P488 C577 L580 L584	F474-L582 HydrophobicContact CZ-CD1 4.34Å; I484-L582 HydrophobicContact CG2-CD1 4.46Å; L485-L582 HydrophobicContact CD2-CD1 3.94Å; L485-L582 HydrophobicContact CD2-CD2 4.22Å; P488-L582 HydrophobicContact CG-CD2 4.03Å; C577-L582 HydrophobicContact CB-CB 4.04Å; C577-L582 HydrophobicContact CB-CD1 3.88Å; C577-L582 HydrophobicContact CB-CG 4.49Å; C577-L582 WeakPolarHBondContact O-CB 3.5Å; C577-L582 PolarHBondContact O-N 3.3Å; L580-L582 HydrophobicContact CB-CG 4.37Å; L580-L582 PolarHBondContact O-N 2.72Å; L582-L584 PolarHBondContact O-N 3.3Å
583	K	93.8	Very high	93.9	Very high	129 Å²	129	58.5 Å²	58.5	56%	0.561	32%	0.32	S	S	*	.			trans	-72.2	123.8	172.2	-163.7	-175.7	176.6	-152.4	0	108.8	P488 S493 E585	P488-K583 HydrophobicContact CB-CB 4.42Å; S493-K583 PolarHBondContact OG-O 2.76Å; K583-E585 HydrophobicContact CD-CG 4.13Å; K583-E585 VanDerWaalsContact CD-OE2 3.26Å; K583-E585 WeakPolarHBondContact CD-OE2 3.29Å; K583-E585 WeakPolarHBondContact CE-OE1 3.31Å; K583-E585 WeakPolarHBondContact CE-OE2 3.46Å; K583-E585 HydrophobicContact CG-CG 3.98Å; K583-E585 IonicContact NZ-OE1 2.72Å; K583-E585 PolarHBondContact NZ-OE1 3.39Å; K583-E585 IonicContact NZ-OE2 3.97Å; K583-E585 PolarHBondContact NZ-OE2 3.38Å
584	L	94.6	Very high	94	Very high	35 Å²	35	58.6 Å²	58.6	18%	0.183	32%	0.32	C	S	.	.			trans	-102.1	106.3	-180	-63.9	178.8	0	0	0	109.5	L497 R574 C577 L578 L582	L497-L584 HydrophobicContact CD1-CD2 3.83Å; R574-L584 HydrophobicContact CG-CD1 3.45Å; R574-L584 VanDerWaalsContact CG-CD1 3.45Å; C577-L584 HydrophobicContact CB-CD2 3.87Å; L578-L584 HydrophobicContact CD2-CD1 3.78Å; L578-L584 HydrophobicContact CG-CD1 4.03Å; L582-L584 PolarHBondContact O-N 3.3Å
585	E	94.3	Very high	94	Very high	56 Å²	56	55.9 Å²	55.9	26%	0.262	31%	0.31	S	S	.	.			trans	-123.9	154.4	-179.7	-62.2	-174.6	110.7	0	0	111	C492 S493 E494 K583	C492-E585 CarbonylContact C-O 3.58Å; S493-E585 PolarHBondContact N-O 3.16Å; E494-E585 WeakPolarHBondContact CG-O 3.45Å; E494-E585 PolarHBondContact N-O 3.46Å; K583-E585 HydrophobicContact CD-CG 4.13Å; K583-E585 VanDerWaalsContact CD-OE2 3.26Å; K583-E585 WeakPolarHBondContact CD-OE2 3.29Å; K583-E585 WeakPolarHBondContact CE-OE1 3.31Å; K583-E585 WeakPolarHBondContact CE-OE2 3.46Å; K583-E585 HydrophobicContact CG-CG 3.98Å; K583-E585 IonicContact NZ-OE1 2.72Å; K583-E585 PolarHBondContact NZ-OE1 3.39Å; K583-E585 IonicContact NZ-OE2 3.97Å; K583-E585 PolarHBondContact NZ-OE2 3.38Å
586	S	94.4	Very high	94.1	Very high	70 Å²	70	55.7 Å²	55.7	49%	0.49	31%	0.305	S	S	.	.			trans	-113.9	133	172.3	174.2	0	0	0	0	109.4	S491 E495 G588	S491-S586 CarbonylContact O-C 3.54Å; E495-S586 PolarHBondContact OE1-OG 3.36Å; E495-S586 WeakPolarHBondContact OE2-CA 3.25Å; S586-G588 PolarHBondContact O-N 3.41Å; S586-G588 PolarHBondContact OG-N 2.87Å; S586-G588 VanDerWaalsContact OG-N 3.16Å
587	C	92.1	Very high	94.2	Very high	24 Å²	24	54.6 Å²	54.6	16%	0.162	30%	0.3	C	S	.	.			trans	-84.4	3.1	173.4	63.1	0	0	0	0	112.4	S491 C492 E495 A589 D590 V594	S491-C587 WeakPolarHBondContact O-CB 3.47Å; S491-C587 PolarHBondContact O-N 3.29Å; S491-C587 VanDerWaalsContact O-N 3.11Å; C492-C587 HydrophobicContact CB-CB 3.98Å; E495-C587 PolarHBondContact OE2-N 3.05Å; E495-C587 VanDerWaalsContact OE2-N 3.17Å; E495-C587 PolarHBondContact OE2-SG 2.93Å; C587-A589 PolarHBondContact O-N 3.49Å; C587-D590 HydrophobicContact CB-CB 4.33Å; C587-D590 WeakPolarHBondContact O-CB 3.33Å; C587-D590 PolarHBondContact O-N 3.33Å; C587-D590 PolarHBondContact SG-O 3.1Å; C587-V594 WeakPolarHBondContact SG-CG2 3.26Å
588	G	91.1	Very high	94.3	Very high	35 Å²	35	54.7 Å²	54.7	36%	0.361	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	-119.1	179.7	0	0	0	0	0	112.3	R541 S586	R541-G588 PolarHBondContact NH1-O 2.88Å; R541-G588 PolarHBondContact NH2-O 2.98Å; S586-G588 PolarHBondContact O-N 3.41Å; S586-G588 PolarHBondContact OG-N 2.87Å; S586-G588 VanDerWaalsContact OG-N 3.16Å
589	A	88.6	Confident	94.3	Very high	90 Å²	90	50 Å²	50	74%	0.744	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.9	-180	0	0	0	0	0	113.7	C587 T591	C587-A589 PolarHBondContact O-N 3.49Å; A589-T591 PolarHBondContact O-N 3.49Å
590	D	91.4	Very high	94.3	Very high	74 Å²	74	45 Å²	45	40%	0.396	25%	0.254	S	S	.	.			trans	-75	94.1	178.5	176.9	21.5	0	0	0	110.9	C587 G592 S593	C587-D590 HydrophobicContact CB-CB 4.33Å; C587-D590 WeakPolarHBondContact O-CB 3.33Å; C587-D590 PolarHBondContact O-N 3.33Å; C587-D590 PolarHBondContact SG-O 3.1Å; D590-G592 VanDerWaalsContact C-N 3.31Å; D590-G592 WeakPolarHBondContact OD1-CA 3.18Å; D590-G592 PolarHBondContact OD1-N 2.96Å; D590-S593 PolarHBondContact OD1-N 3.29Å; D590-S593 VanDerWaalsContact OD2-CB 3.32Å; D590-S593 WeakPolarHBondContact OD2-CB 3.32Å; D590-S593 PolarHBondContact OD2-OG 2.75Å
591	T	91.9	Very high	94.2	Very high	33 Å²	33	43.2 Å²	43.2	20%	0.202	25%	0.245	C	C	.	.	H	α-helix	trans	-71.8	-26.6	175.6	51.4	0	0	0	0	112	E530 M534 A589 S593 V594 R595	E530-T591 WeakPolarHBondContact OE1-CB 3.47Å; E530-T591 PolarHBondContact OE1-OG1 3.37Å; E530-T591 WeakPolarHBondContact OE2-CB 3.3Å; E530-T591 WeakPolarHBondContact OE2-CG2 3.27Å; E530-T591 PolarHBondContact OE2-OG1 3.21Å; M534-T591 HydrophobicContact CG-CG2 4.41Å; M534-T591 HydrophobicContact SD-CG2 4.05Å; A589-T591 PolarHBondContact O-N 3.49Å; T591-S593 VanDerWaalsContact C-N 3.31Å; T591-S593 PolarHBondContact O-N 2.8Å; T591-V594 WeakPolarHBondContact O-CB 3.22Å; T591-V594 PolarHBondContact O-N 3.29Å; T591-V594 VanDerWaalsContact O-N 3.11Å; T591-R595 VanDerWaalsContact O-CG 3.28Å; T591-R595 WeakPolarHBondContact O-CG 3.47Å; T591-R595 PolarHBondContact O-N 2.88Å
592	G	94.9	Very high	94.1	Very high	10 Å²	10	36.1 Å²	36.1	10%	0.103	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-39.4	-178.9	0	0	0	0	0	112.7	D590 R595 R596	D590-G592 VanDerWaalsContact C-N 3.31Å; D590-G592 WeakPolarHBondContact OD1-CA 3.18Å; D590-G592 PolarHBondContact OD1-N 2.96Å; G592-R595 PolarHBondContact O-N 2.88Å; G592-R596 WeakPolarHBondContact O-CB 3.44Å; G592-R596 WeakPolarHBondContact O-CG 3.48Å; G592-R596 PolarHBondContact O-N 2.9Å; G592-R596 PolarHBondContact O-NE 2.63Å
593	S	95.4	Very high	94	Very high	14 Å²	14	35.4 Å²	35.4	10%	0.098	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-39.4	175.1	-65.7	0	0	0	0	112.8	F490 D590 T591 R596 C597	F490-S593 WeakPolarHBondContact O-CB 3.42Å; D590-S593 PolarHBondContact OD1-N 3.29Å; D590-S593 VanDerWaalsContact OD2-CB 3.32Å; D590-S593 WeakPolarHBondContact OD2-CB 3.32Å; D590-S593 PolarHBondContact OD2-OG 2.75Å; T591-S593 VanDerWaalsContact C-N 3.31Å; T591-S593 PolarHBondContact O-N 2.8Å; S593-R596 PolarHBondContact OG-NH2 3.47Å; S593-C597 PolarHBondContact O-N 2.94Å
594	V	96.9	Very high	93.8	Very high	1 Å²	1	30 Å²	30	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-44.2	174.7	-167.9	0	0	0	0	111.1	C492 E495 I496 I499 M534 C587 T591 C597 L598	C492-V594 HydrophobicContact CB-CG2 4.05Å; E495-V594 HydrophobicContact CB-CG1 4.27Å; E495-V594 HydrophobicContact CB-CG2 3.77Å; E495-V594 HydrophobicContact CG-CG2 3.97Å; I496-V594 HydrophobicContact CD1-CG1 3.74Å; I496-V594 HydrophobicContact CG1-CG1 4.47Å; I499-V594 HydrophobicContact CD1-CG1 3.54Å; M534-V594 HydrophobicContact CE-CB 4.24Å; M534-V594 HydrophobicContact CE-CG1 3.66Å; M534-V594 HydrophobicContact SD-CB 4.26Å; M534-V594 HydrophobicContact SD-CG1 4.26Å; C587-V594 WeakPolarHBondContact SG-CG2 3.26Å; T591-V594 WeakPolarHBondContact O-CB 3.22Å; T591-V594 PolarHBondContact O-N 3.29Å; T591-V594 VanDerWaalsContact O-N 3.11Å; V594-C597 PolarHBondContact O-N 3.2Å; V594-L598 HydrophobicContact CG1-CD1 4.33Å; V594-L598 WeakPolarHBondContact O-CG 3.47Å; V594-L598 PolarHBondContact O-N 3.32Å
595	R	96.8	Very high	93.6	Very high	32 Å²	32	29.6 Å²	29.6	12%	0.121	18%	0.178	C	C	.	.	H	α-helix	trans	-65.1	-41.6	-179.6	-64.8	-166.2	-77.6	118.3	-4.4	112.2	E530 T591 G592 L598 A599 C657 L658 W663	E530-R595 IonicContact OE1-CZ 2.88Å; E530-R595 VanDerWaalsContact OE1-CZ 3.29Å; E530-R595 IonicContact OE1-NE 3.75Å; E530-R595 PolarHBondContact OE1-NE 2.87Å; E530-R595 IonicContact OE1-NH2 2.98Å; E530-R595 PolarHBondContact OE1-NH2 2.87Å; T591-R595 VanDerWaalsContact O-CG 3.28Å; T591-R595 WeakPolarHBondContact O-CG 3.47Å; T591-R595 PolarHBondContact O-N 2.88Å; G592-R595 PolarHBondContact O-N 2.88Å; R595-L598 PolarHBondContact O-N 3.21Å; R595-A599 WeakPolarHBondContact O-CB 3.39Å; R595-A599 PolarHBondContact O-N 3.06Å; R595-C657 VanDerWaalsContact CG-SG 3.52Å; R595-L658 VanDerWaalsContact CD-O 3.31Å; R595-L658 WeakPolarHBondContact CD-O 3.44Å; R595-W663 HydrophobicContact CB-CH2 4.45Å; R595-W663 HydrophobicContact CB-CZ3 3.8Å
596	R	96.6	Very high	93.6	Very high	93 Å²	93	27 Å²	27	35%	0.351	17%	0.166	S	C	.	.	H	α-helix	trans	-60	-47	171.7	-77	-178.5	-73.4	-173.5	1	111.7	F490 G592 S593 L598 A599 H600 W663	F490-R596 HydrophobicContact CD1-CB 3.77Å; F490-R596 HydrophobicContact CE1-CB 3.71Å; G592-R596 WeakPolarHBondContact O-CB 3.44Å; G592-R596 WeakPolarHBondContact O-CG 3.48Å; G592-R596 PolarHBondContact O-N 2.9Å; G592-R596 PolarHBondContact O-NE 2.63Å; S593-R596 PolarHBondContact OG-NH2 3.47Å; R596-L598 VanDerWaalsContact C-N 3.32Å; R596-L598 PolarHBondContact O-N 3.44Å; R596-A599 WeakPolarHBondContact O-CB 3.31Å; R596-A599 PolarHBondContact O-N 3.1Å; R596-H600 PolarHBondContact O-CD2 2.91Å; R596-H600 PolarHBondContact O-N 3.35Å; R596-W663 HydrophobicContact CG-CD2 3.43Å; R596-W663 VanDerWaalsContact CG-CD2 3.43Å; R596-W663 VanDerWaalsContact CG-CE2 3.49Å; R596-W663 HydrophobicContact CG-CE3 3.74Å; R596-W663 HydrophobicContact CG-CG 3.83Å; R596-W663 HydrophobicContact CG-CH2 4.14Å; R596-W663 HydrophobicContact CG-CZ2 3.85Å; R596-W663 HydrophobicContact CG-CZ3 4.09Å
597	C	96.9	Very high	93.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-41.4	176.2	-176.1	0	0	0	0	112.7	S487 F490 C492 I496 S593 V594 H600 G601	S487-C597 VanDerWaalsContact CA-SG 3.58Å; F490-C597 HydrophobicContact CB-CB 4.03Å; F490-C597 HydrophobicContact CD2-CB 3.59Å; F490-C597 HydrophobicContact CE2-CB 4.25Å; F490-C597 HydrophobicContact CG-CB 3.85Å; C492-C597 VanDerWaalsContact SG-CB 3.55Å; I496-C597 HydrophobicContact CD1-CB 4.04Å; I496-C597 HydrophobicContact CG1-CB 4.26Å; S593-C597 PolarHBondContact O-N 2.94Å; V594-C597 PolarHBondContact O-N 3.2Å; C597-H600 PolarHBondContact O-N 3.06Å; C597-G601 PolarHBondContact O-N 3.34Å
598	L	96.5	Very high	93.8	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-64.1	-42.9	175.3	-71.9	171	0	0	0	111.5	T483 I496 I499 H533 M534 V594 R595 R596 H600 G601 M602 C657	T483-L598 HydrophobicContact CG2-CD2 4.16Å; I496-L598 HydrophobicContact CD1-CD2 3.99Å; I496-L598 HydrophobicContact CD1-CG 3.99Å; I499-L598 HydrophobicContact CD1-CD1 4.47Å; H533-L598 HydrophobicContact CB-CD1 4.15Å; M534-L598 HydrophobicContact CE-CD1 4.04Å; V594-L598 HydrophobicContact CG1-CD1 4.33Å; V594-L598 WeakPolarHBondContact O-CG 3.47Å; V594-L598 PolarHBondContact O-N 3.32Å; R595-L598 PolarHBondContact O-N 3.21Å; R596-L598 VanDerWaalsContact C-N 3.32Å; R596-L598 PolarHBondContact O-N 3.44Å; L598-H600 VanDerWaalsContact C-N 3.33Å; L598-H600 PolarHBondContact O-N 3.02Å; L598-G601 PolarHBondContact O-N 2.95Å; L598-M602 HydrophobicContact CD2-SD 4.05Å; L598-M602 WeakPolarHBondContact O-CB 3.17Å; L598-M602 PolarHBondContact O-N 3.34Å; L598-C657 HydrophobicContact CD1-CB 4.29Å
599	A	95.4	Very high	93.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.2	-47.4	174.1	0	0	0	0	0	111.2	R595 R596 F603 V659 W663 L664	R595-A599 WeakPolarHBondContact O-CB 3.39Å; R595-A599 PolarHBondContact O-N 3.06Å; R596-A599 WeakPolarHBondContact O-CB 3.31Å; R596-A599 PolarHBondContact O-N 3.1Å; A599-F603 VanDerWaalsContact O-CA 3.27Å; A599-F603 WeakPolarHBondContact O-CA 3.21Å; A599-F603 WeakPolarHBondContact O-CB 3.5Å; A599-F603 PolarHBondContact O-N 3.46Å; A599-V659 HydrophobicContact CB-CB 4.4Å; A599-V659 HydrophobicContact CB-CG1 4Å; A599-W663 HydrophobicContact CB-CB 4.09Å; A599-L664 HydrophobicContact CB-CD2 4.21Å
600	H	94.4	Very high	94.2	Very high	39 Å²	39	22.9 Å²	22.9	18%	0.181	11%	0.113	C	C	.	.	H	α-helix	trans	-69.8	-35.1	179.8	-76.1	-119.8	0	0	0	114.5	L486 F490 R596 C597 L598 F603 A667	L486-H600 HydrophobicContact CD1-CB 4.03Å; F490-H600 HydrophobicContact CE2-CB 4.23Å; F490-H600 HydrophobicContact CZ-CB 4.16Å; F490-H600 AromaticContact CZ-CD2 3.65Å; F490-H600 AromaticContact CZ-CE1 3.91Å; F490-H600 AromaticContact CZ-CG 3.61Å; F490-H600 AromaticContact CZ-ND1 3.77Å; F490-H600 AromaticContact CZ-NE2 3.81Å; R596-H600 PolarHBondContact O-CD2 2.91Å; R596-H600 PolarHBondContact O-N 3.35Å; C597-H600 PolarHBondContact O-N 3.06Å; L598-H600 VanDerWaalsContact C-N 3.33Å; L598-H600 PolarHBondContact O-N 3.02Å; H600-F603 WeakPolarHBondContact O-CD1 3.31Å; H600-A667 HydrophobicContact CB-CB 4.12Å
601	G	92.8	Very high	94.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-80.5	-29.7	-179.1	0	0	0	0	0	114.1	T483 C597 L598	T483-G601 WeakPolarHBondContact OG1-CA 3.44Å; C597-G601 PolarHBondContact O-N 3.34Å; L598-G601 PolarHBondContact O-N 2.95Å
602	M	92.5	Very high	94	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.015	16%	0.159	C	C	.	.	H	α-helix	trans	-125.4	23	-170.2	-59	177.2	65.7	0	0	113	Y480 L598 I604 N605 V641	Y480-M602 HydrophobicContact CE1-CE 4.4Å; L598-M602 HydrophobicContact CD2-SD 4.05Å; L598-M602 WeakPolarHBondContact O-CB 3.17Å; L598-M602 PolarHBondContact O-N 3.34Å; M602-I604 PolarHBondContact O-N 3.48Å; M602-I604 VanDerWaalsContact O-N 3.08Å; M602-N605 CarbonylContact O-C 3.59Å; M602-N605 WeakPolarHBondContact O-CA 3.32Å; M602-N605 WeakPolarHBondContact O-CB 3.38Å; M602-N605 PolarHBondContact O-N 3Å; M602-V641 HydrophobicContact CB-CG1 3.65Å; M602-V641 HydrophobicContact CE-CG1 4.42Å; M602-V641 HydrophobicContact SD-CG1 4.48Å
603	F	92	Very high	93.7	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.013	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-54.9	-30.3	-175.6	69.6	-86.1	0	0	0	114.6	L451 L452 A599 H600 N605 A606 L664 A667 A668 Y671 F672	L451-F603 HydrophobicContact CB-CZ 4.27Å; L451-F603 WeakPolarHBondContact O-CZ 3.48Å; L452-F603 HydrophobicContact CD2-CE1 4.47Å; A599-F603 VanDerWaalsContact O-CA 3.27Å; A599-F603 WeakPolarHBondContact O-CA 3.21Å; A599-F603 WeakPolarHBondContact O-CB 3.5Å; A599-F603 PolarHBondContact O-N 3.46Å; H600-F603 WeakPolarHBondContact O-CD1 3.31Å; F603-N605 PolarHBondContact O-N 3.01Å; F603-A606 VanDerWaalsContact O-CB 3.25Å; F603-A606 WeakPolarHBondContact O-CB 3.43Å; F603-A606 PolarHBondContact O-N 3.24Å; F603-L664 HydrophobicContact CB-CD2 4.2Å; F603-A667 HydrophobicContact CB-CB 4.21Å; F603-A668 HydrophobicContact CD2-CB 3.67Å; F603-A668 HydrophobicContact CE1-CB 4.47Å; F603-A668 HydrophobicContact CE2-CB 3.57Å; F603-A668 HydrophobicContact CG-CB 4.18Å; F603-A668 HydrophobicContact CZ-CB 3.99Å; F603-Y671 AromaticContact CD2-CD1 3.83Å; F603-Y671 HydrophobicContact CD2-CD1 3.83Å; F603-Y671 HydrophobicContact CD2-CE1 4.01Å; F603-Y671 HydrophobicContact CD2-CG 4.41Å; F603-Y671 AromaticContact CE2-CD1 3.84Å; F603-Y671 HydrophobicContact CE2-CD1 3.84Å; F603-Y671 HydrophobicContact CE2-CD2 4.39Å; F603-Y671 HydrophobicContact CE2-CE1 4.15Å; F603-Y671 AromaticContact CE2-CG 3.96Å; F603-Y671 HydrophobicContact CE2-CG 3.96Å; F603-F672 HydrophobicContact CB-CE2 3.82Å; F603-F672 HydrophobicContact CB-CZ 4Å; F603-F672 AromaticContact CD2-CE2 3.73Å; F603-F672 HydrophobicContact CD2-CE2 3.73Å; F603-F672 HydrophobicContact CD2-CZ 4.03Å; F603-F672 HydrophobicContact CG-CE2 4.18Å; F603-F672 WeakPolarHBondContact O-CZ 3.29Å
604	I	89.8	Confident	93.4	Very high	16 Å²	16	32.9 Å²	32.9	8%	0.082	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-62.2	-32.1	176.1	-56.7	173.8	0	0	0	110.5	H448 L451 L452 M602 A606 D619	H448-I604 VanDerWaalsContact CD2-CD1 3.43Å; H448-I604 WeakPolarHBondContact CD2-CD1 3.01Å; L451-I604 HydrophobicContact CB-CD1 3.89Å; L451-I604 HydrophobicContact CD1-CD1 4.15Å; L452-I604 HydrophobicContact CD2-CD1 3.95Å; L452-I604 HydrophobicContact CG-CD1 4.21Å; M602-I604 PolarHBondContact O-N 3.48Å; M602-I604 VanDerWaalsContact O-N 3.08Å; I604-A606 VanDerWaalsContact C-N 3.29Å; I604-A606 PolarHBondContact O-N 2.94Å; I604-D619 HydrophobicContact CG2-CB 4.22Å
605	N	91.4	Very high	93.3	Very high	27 Å²	27	33.2 Å²	33.2	14%	0.144	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-92.8	49.8	178.2	-64.7	83.9	0	0	0	111.7	R479 M602 F603 V641 F642	R479-N605 PolarHBondContact NH1-ND2 3.1Å; M602-N605 CarbonylContact O-C 3.59Å; M602-N605 WeakPolarHBondContact O-CA 3.32Å; M602-N605 WeakPolarHBondContact O-CB 3.38Å; M602-N605 PolarHBondContact O-N 3Å; F603-N605 PolarHBondContact O-N 3.01Å; N605-V641 CarbonylContact O-C 3.58Å; N605-V641 VanDerWaalsContact O-CA 3.31Å; N605-V641 WeakPolarHBondContact O-CA 3.37Å; N605-F642 HydrophobicContact CB-CD2 4.06Å; N605-F642 HydrophobicContact CB-CE1 4.42Å; N605-F642 HydrophobicContact CB-CE2 3.78Å; N605-F642 HydrophobicContact CB-CG 4.47Å; N605-F642 HydrophobicContact CB-CZ 3.98Å; N605-F642 WeakPolarHBondContact CB-O 3.39Å; N605-F642 WeakPolarHBondContact ND2-CE2 3.45Å; N605-F642 WeakPolarHBondContact O-CD1 3.23Å; N605-F642 WeakPolarHBondContact O-CE1 3.46Å; N605-F642 PolarHBondContact O-N 3.01Å
606	A	93.8	Very high	93.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	149.5	177.2	0	0	0	0	0	112	F603 I604 L618 V640 V641 L664	F603-A606 VanDerWaalsContact O-CB 3.25Å; F603-A606 WeakPolarHBondContact O-CB 3.43Å; F603-A606 PolarHBondContact O-N 3.24Å; I604-A606 VanDerWaalsContact C-N 3.29Å; I604-A606 PolarHBondContact O-N 2.94Å; A606-L618 HydrophobicContact CB-CD1 3.81Å; A606-L618 HydrophobicContact CB-CG 4.43Å; A606-L618 PolarHBondContact O-N 3.02Å; A606-V640 CarbonylContact C-O 3.5Å; A606-V640 VanDerWaalsContact CA-O 3.29Å; A606-V640 WeakPolarHBondContact CA-O 3.45Å; A606-V641 HydrophobicContact CB-CG2 4.39Å; A606-L664 HydrophobicContact CB-CD1 3.88Å; A606-L664 HydrophobicContact CB-CD2 3.99Å
607	A	94.8	Very high	92.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	152.8	176	0	0	0	0	0	111.8	Y615 L616 V624 Y639 V640 F642 M653	A607-Y615 HydrophobicContact CB-CD1 4.39Å; A607-L616 CarbonylContact C-O 3.43Å; A607-L616 WeakPolarHBondContact CA-O 3.39Å; A607-L616 WeakPolarHBondContact CB-O 3.31Å; A607-V624 HydrophobicContact CB-CG2 4.15Å; A607-Y639 WeakPolarHBondContact O-CA 3.32Å; A607-V640 HydrophobicContact CB-CG2 3.97Å; A607-V640 PolarHBondContact N-O 2.92Å; A607-V640 PolarHBondContact O-N 3.32Å; A607-F642 HydrophobicContact CB-CD1 4.22Å; A607-F642 HydrophobicContact CB-CE1 4.08Å; A607-M653 HydrophobicContact CB-CE 4.19Å; A607-M653 HydrophobicContact CB-SD 3.39Å; A607-M653 WeakPolarHBondContact CB-SD 3.32Å
608	E	95.1	Very high	92.5	Very high	34 Å²	34	29.4 Å²	29.4	16%	0.159	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.5	-176.8	177.2	-177.5	-141.9	0	0	111	Q610 Y615 L616 L618 A638 Y639	E608-Q610 PolarHBondContact OE2-NE2 2.79Å; E608-Q610 VanDerWaalsContact OE2-NE2 3.13Å; E608-Y615 CarbonylContact O-C 3.59Å; E608-Y615 WeakPolarHBondContact O-CA 3.46Å; E608-L616 PolarHBondContact N-O 3.46Å; E608-L616 PolarHBondContact O-N 2.93Å; E608-L618 HydrophobicContact CB-CD2 3.87Å; E608-L618 HydrophobicContact CB-CG 4.5Å; E608-A638 CarbonylContact C-O 3.51Å; E608-A638 WeakPolarHBondContact CA-O 3.41Å; E608-Y639 HydrophobicContact CB-CD1 3.9Å; E608-Y639 HydrophobicContact CB-CE1 3.65Å; E608-Y639 HydrophobicContact CG-CD1 4.1Å; E608-Y639 HydrophobicContact CG-CE1 3.5Å; E608-Y639 VanDerWaalsContact OE1-CZ 3.26Å; E608-Y639 PolarHBondContact OE1-OH 2.92Å
609	L	94.9	Very high	91.9	Very high	50 Å²	50	32 Å²	32	26%	0.262	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	123.4	169.5	-178.8	70.5	0	0	0	110.1	Y615 K636 A638	L609-Y615 HydrophobicContact CB-CD1 4.27Å; L609-Y615 HydrophobicContact CB-CE1 3.77Å; L609-Y615 HydrophobicContact CB-CE2 4.45Å; L609-Y615 HydrophobicContact CD1-CD2 3.93Å; L609-Y615 HydrophobicContact CD1-CE1 4.4Å; L609-Y615 HydrophobicContact CD1-CE2 3.54Å; L609-K636 HydrophobicContact CD2-CB 4.4Å; L609-K636 WeakPolarHBondContact CD2-O 3.28Å; L609-A638 PolarHBondContact N-O 3.45Å
610	Q	94.1	Very high	91.2	Very high	50 Å²	50	34 Å²	34	23%	0.234	20%	0.197	C	C	.	.			trans	-86.7	158.7	178	-59.5	-58.4	-61.3	0	0	111.4	E608 D612 G613 S614 L616	E608-Q610 PolarHBondContact OE2-NE2 2.79Å; E608-Q610 VanDerWaalsContact OE2-NE2 3.13Å; Q610-D612 VanDerWaalsContact CB-OD1 3.29Å; Q610-D612 WeakPolarHBondContact CB-OD1 3.46Å; Q610-D612 PolarHBondContact O-N 2.96Å; Q610-D612 VanDerWaalsContact O-N 3.15Å; Q610-G613 PolarHBondContact O-N 3.38Å; Q610-S614 WeakPolarHBondContact CB-O 3.4Å; Q610-S614 PolarHBondContact N-O 3.23Å; Q610-L616 HydrophobicContact CG-CB 3.97Å
611	P	90	Very high	90.7	Very high	137 Å²	137	36.8 Å²	36.8	89%	0.89	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26	179.4	-26	35.2	0	0	0	114.7	G613	P611-G613 PolarHBondContact O-N 2.87Å
612	D	89.9	Confident	90.4	Very high	127 Å²	127	39 Å²	39	68%	0.679	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-1.8	175.8	73	-10.8	0	0	0	113.5	Q610 S614	Q610-D612 VanDerWaalsContact CB-OD1 3.29Å; Q610-D612 WeakPolarHBondContact CB-OD1 3.46Å; Q610-D612 PolarHBondContact O-N 2.96Å; Q610-D612 VanDerWaalsContact O-N 3.15Å; D612-S614 VanDerWaalsContact C-N 3.34Å; D612-S614 VanDerWaalsContact CG-OG 3.32Å; D612-S614 VanDerWaalsContact OD1-CB 3.25Å; D612-S614 WeakPolarHBondContact OD1-CB 3.43Å; D612-S614 PolarHBondContact OD1-N 3.09Å; D612-S614 PolarHBondContact OD1-OG 3.47Å; D612-S614 PolarHBondContact OD2-OG 3.25Å
613	G	87.1	Confident	90.3	Very high	32 Å²	32	42.1 Å²	42.1	33%	0.33	25%	0.246	S	C	.	.	S	Bend	trans	83.1	5	-179.8	0	0	0	0	0	114.8	Q610 P611	Q610-G613 PolarHBondContact O-N 3.38Å; P611-G613 PolarHBondContact O-N 2.87Å
614	S	90.6	Very high	90.3	Very high	44 Å²	44	42.5 Å²	42.5	31%	0.308	25%	0.249	S	C	.	.			trans	-83.7	162.9	169.9	75.1	0	0	0	0	111.3	Q610 D612	Q610-S614 WeakPolarHBondContact CB-O 3.4Å; Q610-S614 PolarHBondContact N-O 3.23Å; D612-S614 VanDerWaalsContact C-N 3.34Å; D612-S614 VanDerWaalsContact CG-OG 3.32Å; D612-S614 VanDerWaalsContact OD1-CB 3.25Å; D612-S614 WeakPolarHBondContact OD1-CB 3.43Å; D612-S614 PolarHBondContact OD1-N 3.09Å; D612-S614 PolarHBondContact OD1-OG 3.47Å; D612-S614 PolarHBondContact OD2-OG 3.25Å
615	Y	94.1	Very high	90.5	Very high	8 Å²	8	42.9 Å²	42.9	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	145.6	170.4	-82.2	-96.1	0	0	0	110.7	A607 E608 L609 A623 V624 I626 K636 P637 V640 M653	A607-Y615 HydrophobicContact CB-CD1 4.39Å; E608-Y615 CarbonylContact O-C 3.59Å; E608-Y615 WeakPolarHBondContact O-CA 3.46Å; L609-Y615 HydrophobicContact CB-CD1 4.27Å; L609-Y615 HydrophobicContact CB-CE1 3.77Å; L609-Y615 HydrophobicContact CB-CE2 4.45Å; L609-Y615 HydrophobicContact CD1-CD2 3.93Å; L609-Y615 HydrophobicContact CD1-CE1 4.4Å; L609-Y615 HydrophobicContact CD1-CE2 3.54Å; Y615-A623 WeakPolarHBondContact O-CA 3.18Å; Y615-V624 WeakPolarHBondContact CB-O 3.25Å; Y615-V624 PolarHBondContact N-O 3.36Å; Y615-V624 PolarHBondContact O-N 2.84Å; Y615-I626 HydrophobicContact CD2-CG1 4.33Å; Y615-I626 HydrophobicContact CE2-CD1 3.77Å; Y615-I626 HydrophobicContact CE2-CG1 3.94Å; Y615-K636 WeakPolarHBondContact OH-CA 3.14Å; Y615-P637 WeakPolarHBondContact CE1-O 3.19Å; Y615-P637 WeakPolarHBondContact OH-CD 3.41Å; Y615-P637 VanDerWaalsContact OH-N 3.14Å; Y615-P637 PolarHBondContact OH-O 3.36Å; Y615-V640 HydrophobicContact CD1-CG2 4.5Å; Y615-V640 HydrophobicContact CE1-CG2 4.27Å; Y615-M653 HydrophobicContact CD1-CE 3.91Å; Y615-M653 HydrophobicContact CD2-CE 4.38Å; Y615-M653 HydrophobicContact CG-CE 3.82Å
616	L	93	Very high	90.7	Very high	39 Å²	39	42 Å²	42	20%	0.204	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.4	174.6	-158.4	75.3	0	0	0	109.9	A607 E608 Q610 L618 H621	A607-L616 CarbonylContact C-O 3.43Å; A607-L616 WeakPolarHBondContact CA-O 3.39Å; A607-L616 WeakPolarHBondContact CB-O 3.31Å; E608-L616 PolarHBondContact N-O 3.46Å; E608-L616 PolarHBondContact O-N 2.93Å; Q610-L616 HydrophobicContact CG-CB 3.97Å; L616-L618 PolarHBondContact O-N 2.77Å; L616-H621 VanDerWaalsContact CD1-O 3.25Å; L616-H621 WeakPolarHBondContact CD1-O 3.45Å; L616-H621 HydrophobicContact CD2-CB 4.2Å
617	A	90.8	Very high	90.6	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.025	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.1	169.5	0	0	0	0	0	109.4	D619 H621 Q622 V624	A617-D619 VanDerWaalsContact C-N 3.32Å; A617-D619 PolarHBondContact O-N 3.43Å; A617-H621 WeakPolarHBondContact O-CA 3.37Å; A617-H621 PolarHBondContact O-N 2.84Å; A617-Q622 PolarHBondContact N-O 3.01Å; A617-V624 HydrophobicContact CB-CG1 4.2Å; A617-V624 HydrophobicContact CB-CG2 4.44Å
618	L	88.9	Confident	90.3	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.3	-174.4	-68.2	-179.7	0	0	0	112.5	A606 E608 L616 Y639 L664 F672 K675 L676	A606-L618 HydrophobicContact CB-CD1 3.81Å; A606-L618 HydrophobicContact CB-CG 4.43Å; A606-L618 PolarHBondContact O-N 3.02Å; E608-L618 HydrophobicContact CB-CD2 3.87Å; E608-L618 HydrophobicContact CB-CG 4.5Å; L616-L618 PolarHBondContact O-N 2.77Å; L618-Y639 HydrophobicContact CD1-CD1 4.43Å; L618-L664 HydrophobicContact CD1-CD1 4.05Å; L618-F672 HydrophobicContact CB-CE1 4.23Å; L618-F672 HydrophobicContact CD1-CD1 4.39Å; L618-F672 HydrophobicContact CD1-CE1 3.73Å; L618-K675 WeakPolarHBondContact O-CD 3.35Å; L618-L676 HydrophobicContact CD1-CD2 4.11Å; L618-L676 HydrophobicContact CD2-CD2 4.14Å
619	D	83.8	Confident	89.9	Confident	57 Å²	57	48.4 Å²	48.4	31%	0.305	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-51.9	-179.8	-172.4	41	0	0	0	112.5	I604 A617 Y671 K675	I604-D619 HydrophobicContact CG2-CB 4.22Å; A617-D619 VanDerWaalsContact C-N 3.32Å; A617-D619 PolarHBondContact O-N 3.43Å; D619-Y671 VanDerWaalsContact CA-OH 3.23Å; D619-Y671 WeakPolarHBondContact CA-OH 3.48Å; D619-Y671 WeakPolarHBondContact CB-OH 3.46Å; D619-Y671 PolarHBondContact OD1-OH 3.15Å; D619-K675 PolarHBondContact O-NZ 2.64Å; D619-K675 IonicContact OD1-NZ 3.57Å; D619-K675 PolarHBondContact OD1-NZ 3.35Å
620	T	80.9	Confident	89.7	Confident	40 Å²	40	46.5 Å²	46.5	25%	0.245	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-5.6	-166.7	56.9	0	0	0	0	113.4	S358 Q622	S358-T620 VanDerWaalsContact O-CG2 3.25Å; S358-T620 WeakPolarHBondContact O-CG2 3.46Å; T620-Q622 PolarHBondContact O-N 3.01Å; T620-Q622 VanDerWaalsContact O-N 3.13Å; T620-Q622 WeakPolarHBondContact OG1-CB 3.35Å
621	H	84.6	Confident	89.6	Confident	99 Å²	99	46.5 Å²	46.5	46%	0.458	29%	0.286	S	S	.	.			trans	51.8	30.6	-171.2	-62	-82.8	0	0	0	113.1	L616 A617	L616-H621 VanDerWaalsContact CD1-O 3.25Å; L616-H621 WeakPolarHBondContact CD1-O 3.45Å; L616-H621 HydrophobicContact CD2-CB 4.2Å; A617-H621 WeakPolarHBondContact O-CA 3.37Å; A617-H621 PolarHBondContact O-N 2.84Å
622	Q	86.3	Confident	89.7	Confident	46 Å²	46	40 Å²	40	22%	0.215	24%	0.244	C	C	.	.			trans	-90.1	138.7	179.1	-177.1	176	-8.7	0	0	111	A617 T620 V624	A617-Q622 PolarHBondContact N-O 3.01Å; T620-Q622 PolarHBondContact O-N 3.01Å; T620-Q622 VanDerWaalsContact O-N 3.13Å; T620-Q622 WeakPolarHBondContact OG1-CB 3.35Å; Q622-V624 PolarHBondContact O-N 3.17Å
623	A	91	Very high	89.8	Confident	69 Å²	69	38.3 Å²	38.3	57%	0.57	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	124.6	170.8	0	0	0	0	0	111.3	Y615	Y615-A623 WeakPolarHBondContact O-CA 3.18Å
624	V	92.4	Very high	89.9	Confident	10 Å²	10	45.3 Å²	45.3	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	166.9	-179.4	-63.7	0	0	0	0	110.3	A607 Y615 A617 Q622 L645 C651 M653	A607-V624 HydrophobicContact CB-CG2 4.15Å; Y615-V624 WeakPolarHBondContact CB-O 3.25Å; Y615-V624 PolarHBondContact N-O 3.36Å; Y615-V624 PolarHBondContact O-N 2.84Å; A617-V624 HydrophobicContact CB-CG1 4.2Å; A617-V624 HydrophobicContact CB-CG2 4.44Å; Q622-V624 PolarHBondContact O-N 3.17Å; V624-L645 HydrophobicContact CB-CD2 4.35Å; V624-L645 HydrophobicContact CG1-CD2 3.78Å; V624-C651 CarbonylContact C-O 3.42Å; V624-C651 WeakPolarHBondContact CA-O 3.34Å; V624-C651 HydrophobicContact CG1-CB 4.17Å; V624-M653 HydrophobicContact CB-CG 4.09Å; V624-M653 HydrophobicContact CB-SD 4.41Å; V624-M653 HydrophobicContact CG2-CE 3.85Å; V624-M653 HydrophobicContact CG2-CG 4.03Å; V624-M653 HydrophobicContact CG2-SD 3.7Å
625	A	93.7	Very high	89.8	Confident	24 Å²	24	46.6 Å²	46.6	20%	0.198	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.5	178.1	0	0	0	0	0	110.8	H627 C651 Y652 M653	A625-H627 PolarHBondContact O-N 2.98Å; A625-C651 PolarHBondContact N-O 2.94Å; A625-Y652 HydrophobicContact CB-CD1 3.95Å; A625-Y652 HydrophobicContact CB-CE1 4.05Å; A625-Y652 CarbonylContact O-C 3.5Å; A625-Y652 VanDerWaalsContact O-CA 3.23Å; A625-Y652 WeakPolarHBondContact O-CA 3.4Å; A625-M653 PolarHBondContact O-N 3.01Å
626	I	94.4	Very high	89.4	Confident	8 Å²	8	51.5 Å²	51.5	4%	0.041	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	131	172.3	-59	179.2	0	0	0	109	Y615 L632 F633 M653 L656	Y615-I626 HydrophobicContact CD2-CG1 4.33Å; Y615-I626 HydrophobicContact CE2-CD1 3.77Å; Y615-I626 HydrophobicContact CE2-CG1 3.94Å; I626-L632 HydrophobicContact CD1-CB 4.35Å; I626-F633 HydrophobicContact CB-CD2 4.4Å; I626-F633 HydrophobicContact CG2-CB 4.24Å; I626-F633 HydrophobicContact CG2-CD2 4.37Å; I626-F633 WeakPolarHBondContact O-CD2 3.37Å; I626-M653 HydrophobicContact CG1-CE 3.86Å; I626-L656 HydrophobicContact CB-CD2 4.46Å; I626-L656 HydrophobicContact CD1-CD2 4.31Å; I626-L656 HydrophobicContact CG1-CD2 3.85Å; I626-L656 HydrophobicContact CG2-CD1 4.05Å; I626-L656 HydrophobicContact CG2-CD2 4.14Å
627	H	91.4	Very high	89.4	Confident	46 Å²	46	50.4 Å²	50.4	21%	0.213	28%	0.284	C	S	.	.			trans	-64.8	139.1	176.7	-169.7	-97.5	0	0	0	111.5	A625 S629 S630 Y652 M653 R654	A625-H627 PolarHBondContact O-N 2.98Å; H627-S629 WeakPolarHBondContact ND1-CB 3.36Å; H627-S629 PolarHBondContact ND1-N 2.88Å; H627-S629 PolarHBondContact ND1-OG 3.24Å; H627-S629 PolarHBondContact O-N 3.21Å; H627-S630 WeakPolarHBondContact O-CB 3.38Å; H627-S630 PolarHBondContact O-N 2.58Å; H627-Y652 HydrophobicContact CB-CD1 4.45Å; H627-Y652 AromaticContact CD2-CG 3.92Å; H627-M653 WeakPolarHBondContact CB-O 3.24Å; H627-M653 PolarHBondContact N-O 3.44Å; H627-R654 HydrophobicContact CB-CG 3.86Å
628	P	88.8	Confident	89.5	Confident	50 Å²	50	53 Å²	53	33%	0.325	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-8.3	-178.1	-25.2	34.7	0	0	0	116.4	F633	P628-F633 HydrophobicContact CB-CD2 4.37Å; P628-F633 HydrophobicContact CB-CE2 4.19Å; P628-F633 HydrophobicContact CB-CZ 4.28Å; P628-F633 HydrophobicContact CG-CD2 4.44Å; P628-F633 HydrophobicContact CG-CE2 3.94Å; P628-F633 HydrophobicContact CG-CZ 4.21Å
629	S	86.5	Confident	89.8	Confident	74 Å²	74	54.5 Å²	54.5	52%	0.517	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-13	174	71.8	0	0	0	0	113.6	H627	H627-S629 WeakPolarHBondContact ND1-CB 3.36Å; H627-S629 PolarHBondContact ND1-N 2.88Å; H627-S629 PolarHBondContact ND1-OG 3.24Å; H627-S629 PolarHBondContact O-N 3.21Å
630	S	91.6	Very high	90.4	Very high	9 Å²	9	51.8 Å²	51.8	6%	0.063	30%	0.297	C	S	.	.	S	Bend	trans	-74.3	145.6	-178.6	-179.6	0	0	0	0	111	D532 H627 L632 F633	D532-S630 VanDerWaalsContact CG-OG 3.27Å; D532-S630 WeakPolarHBondContact OD1-CA 3.46Å; D532-S630 PolarHBondContact OD1-OG 2.95Å; D532-S630 VanDerWaalsContact OD2-CB 3.24Å; D532-S630 WeakPolarHBondContact OD2-CB 3.43Å; D532-S630 PolarHBondContact OD2-OG 3.31Å; H627-S630 WeakPolarHBondContact O-CB 3.38Å; H627-S630 PolarHBondContact O-N 2.58Å; S630-L632 PolarHBondContact O-N 2.87Å; S630-L632 PolarHBondContact OG-N 2.91Å; S630-L632 VanDerWaalsContact OG-N 3.15Å; S630-F633 WeakPolarHBondContact O-CB 3.26Å; S630-F633 PolarHBondContact O-N 3.13Å
631	V	91.8	Very high	91.2	Very high	51 Å²	51	49.9 Å²	49.9	31%	0.309	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.8	171.8	-55.5	0	0	0	0	112.3	T527 S528 D532 T535	T527-V631 HydrophobicContact CG2-CB 4.01Å; T527-V631 HydrophobicContact CG2-CG1 3.87Å; S528-V631 WeakPolarHBondContact O-CG2 3.42Å; D532-V631 WeakPolarHBondContact OD1-CG2 3.16Å; D532-V631 PolarHBondContact OD1-N 2.88Å; T535-V631 HydrophobicContact CG2-CG1 4.43Å
632	L	93	Very high	91.6	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-0.2	-179.8	-60.6	-179.9	0	0	0	113.9	S529 I626 S630 Q634 A635 K636 P637 V640 L656	S529-L632 WeakPolarHBondContact O-CD2 3.46Å; I626-L632 HydrophobicContact CD1-CB 4.35Å; S630-L632 PolarHBondContact O-N 2.87Å; S630-L632 PolarHBondContact OG-N 2.91Å; S630-L632 VanDerWaalsContact OG-N 3.15Å; L632-Q634 PolarHBondContact O-N 2.83Å; L632-Q634 VanDerWaalsContact O-N 3.15Å; L632-A635 HydrophobicContact CD2-CB 4.37Å; L632-A635 PolarHBondContact O-N 2.85Å; L632-A635 VanDerWaalsContact O-N 3.12Å; L632-K636 PolarHBondContact O-N 3.43Å; L632-P637 HydrophobicContact CD1-CG 4.25Å; L632-V640 HydrophobicContact CD1-CG1 4.41Å; L632-L656 HydrophobicContact CD1-CB 3.87Å
633	F	91.4	Very high	91.8	Very high	91 Å²	91	43.6 Å²	43.6	40%	0.399	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-37.4	-174.5	-179.4	-110.3	0	0	0	113.7	I626 P628 S630	I626-F633 HydrophobicContact CB-CD2 4.4Å; I626-F633 HydrophobicContact CG2-CB 4.24Å; I626-F633 HydrophobicContact CG2-CD2 4.37Å; I626-F633 WeakPolarHBondContact O-CD2 3.37Å; P628-F633 HydrophobicContact CB-CD2 4.37Å; P628-F633 HydrophobicContact CB-CE2 4.19Å; P628-F633 HydrophobicContact CB-CZ 4.28Å; P628-F633 HydrophobicContact CG-CD2 4.44Å; P628-F633 HydrophobicContact CG-CE2 3.94Å; P628-F633 HydrophobicContact CG-CZ 4.21Å; S630-F633 WeakPolarHBondContact O-CB 3.26Å; S630-F633 PolarHBondContact O-N 3.13Å
634	Q	88.2	Confident	91.5	Very high	179 Å²	179	43.7 Å²	43.7	84%	0.836	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-23.8	178.2	-66.7	-174.3	-13.5	0	0	113.7	L632	L632-Q634 PolarHBondContact O-N 2.83Å; L632-Q634 VanDerWaalsContact O-N 3.15Å
635	A	88.4	Confident	91.1	Very high	70 Å²	70	44.8 Å²	44.8	58%	0.579	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-31.8	-174.7	0	0	0	0	0	112.9	L632	L632-A635 HydrophobicContact CD2-CB 4.37Å; L632-A635 PolarHBondContact O-N 2.85Å; L632-A635 VanDerWaalsContact O-N 3.12Å
636	K	86.6	Confident	90.5	Very high	111 Å²	111	45.6 Å²	45.6	48%	0.483	25%	0.251	S	S	.	.			trans	44.4	62.3	-178.8	-63	-170.6	175.6	-167.3	0	113.9	L609 Y615 L632	L609-K636 HydrophobicContact CD2-CB 4.4Å; L609-K636 WeakPolarHBondContact CD2-O 3.28Å; Y615-K636 WeakPolarHBondContact OH-CA 3.14Å; L632-K636 PolarHBondContact O-N 3.43Å
637	P	93	Very high	89.6	Confident	16 Å²	16	48.6 Å²	48.6	10%	0.104	27%	0.265	C	S	.	.			trans	-67.9	153.3	178.1	30.4	-36.7	0	0	0	113.1	Y615 L632 Y639 V640 L658	Y615-P637 WeakPolarHBondContact CE1-O 3.19Å; Y615-P637 WeakPolarHBondContact OH-CD 3.41Å; Y615-P637 VanDerWaalsContact OH-N 3.14Å; Y615-P637 PolarHBondContact OH-O 3.36Å; L632-P637 HydrophobicContact CD1-CG 4.25Å; P637-Y639 PolarHBondContact O-N 3.03Å; P637-V640 HydrophobicContact CB-CG1 4.44Å; P637-V640 HydrophobicContact CG-CG1 3.46Å; P637-V640 VanDerWaalsContact CG-CG1 3.46Å; P637-L658 HydrophobicContact CB-CD1 3.54Å; P637-L658 HydrophobicContact CB-CG 4.08Å; P637-L658 HydrophobicContact CG-CD1 4.28Å
638	A	93.5	Very high	88.8	Confident	58 Å²	58	50 Å²	50	48%	0.479	28%	0.277	S	S	.	.	S	Bend	trans	-59	-48.1	-175.6	0	0	0	0	0	113.1	E608 L609	E608-A638 CarbonylContact C-O 3.51Å; E608-A638 WeakPolarHBondContact CA-O 3.41Å; L609-A638 PolarHBondContact N-O 3.45Å
639	Y	95.3	Very high	88.3	Confident	36 Å²	36	52.4 Å²	52.4	14%	0.141	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.9	178.1	-63.9	-88.3	0	0	0	111.6	A607 E608 L618 P637 V659 A661 L664 L676	A607-Y639 WeakPolarHBondContact O-CA 3.32Å; E608-Y639 HydrophobicContact CB-CD1 3.9Å; E608-Y639 HydrophobicContact CB-CE1 3.65Å; E608-Y639 HydrophobicContact CG-CD1 4.1Å; E608-Y639 HydrophobicContact CG-CE1 3.5Å; E608-Y639 VanDerWaalsContact OE1-CZ 3.26Å; E608-Y639 PolarHBondContact OE1-OH 2.92Å; L618-Y639 HydrophobicContact CD1-CD1 4.43Å; P637-Y639 PolarHBondContact O-N 3.03Å; Y639-V659 WeakPolarHBondContact CB-O 3.42Å; Y639-V659 PolarHBondContact O-N 2.83Å; Y639-A661 HydrophobicContact CD2-CB 3.96Å; Y639-A661 HydrophobicContact CE2-CB 3.67Å; Y639-L664 HydrophobicContact CD1-CD1 4.33Å; Y639-L676 HydrophobicContact CE1-CD2 4.1Å
640	V	96.5	Very high	88.2	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.6	177.6	-64.9	0	0	0	0	110.9	A606 A607 Y615 L632 P637 M653 L656 C657	A606-V640 CarbonylContact C-O 3.5Å; A606-V640 VanDerWaalsContact CA-O 3.29Å; A606-V640 WeakPolarHBondContact CA-O 3.45Å; A607-V640 HydrophobicContact CB-CG2 3.97Å; A607-V640 PolarHBondContact N-O 2.92Å; A607-V640 PolarHBondContact O-N 3.32Å; Y615-V640 HydrophobicContact CD1-CG2 4.5Å; Y615-V640 HydrophobicContact CE1-CG2 4.27Å; L632-V640 HydrophobicContact CD1-CG1 4.41Å; P637-V640 HydrophobicContact CB-CG1 4.44Å; P637-V640 HydrophobicContact CG-CG1 3.46Å; P637-V640 VanDerWaalsContact CG-CG1 3.46Å; V640-M653 HydrophobicContact CG2-CE 4.15Å; V640-M653 HydrophobicContact CG2-SD 3.99Å; V640-L656 HydrophobicContact CB-CD2 4.14Å; V640-L656 HydrophobicContact CG1-CD2 4.28Å; V640-L656 HydrophobicContact CG2-CD2 3.93Å; V640-C657 CarbonylContact C-O 3.56Å; V640-C657 VanDerWaalsContact CA-O 3.28Å; V640-C657 WeakPolarHBondContact CA-O 3.48Å
641	V	95.9	Very high	87.9	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	139.6	158.4	168.9	0	0	0	0	108.4	M602 N605 A606 L656 C657 V659 L664	M602-V641 HydrophobicContact CB-CG1 3.65Å; M602-V641 HydrophobicContact CE-CG1 4.42Å; M602-V641 HydrophobicContact SD-CG1 4.48Å; N605-V641 CarbonylContact O-C 3.58Å; N605-V641 VanDerWaalsContact O-CA 3.31Å; N605-V641 WeakPolarHBondContact O-CA 3.37Å; A606-V641 HydrophobicContact CB-CG2 4.39Å; V641-L656 CarbonylContact O-C 3.52Å; V641-L656 WeakPolarHBondContact O-CA 3.38Å; V641-C657 PolarHBondContact N-O 3.4Å; V641-C657 PolarHBondContact O-N 3.49Å; V641-V659 HydrophobicContact CB-CG1 4.24Å; V641-V659 HydrophobicContact CG2-CG1 3.82Å; V641-V659 HydrophobicContact CG2-CG2 4.02Å; V641-L664 HydrophobicContact CG2-CD2 4.24Å
642	F	94.1	Very high	87.8	Confident	5 Å²	5	56.3 Å²	56.3	2%	0.022	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	156.3	179.4	59.6	-95.3	0	0	0	111.6	N605 A607 L645 M653 L656	N605-F642 HydrophobicContact CB-CD2 4.06Å; N605-F642 HydrophobicContact CB-CE1 4.42Å; N605-F642 HydrophobicContact CB-CE2 3.78Å; N605-F642 HydrophobicContact CB-CG 4.47Å; N605-F642 HydrophobicContact CB-CZ 3.98Å; N605-F642 WeakPolarHBondContact CB-O 3.39Å; N605-F642 WeakPolarHBondContact ND2-CE2 3.45Å; N605-F642 WeakPolarHBondContact O-CD1 3.23Å; N605-F642 WeakPolarHBondContact O-CE1 3.46Å; N605-F642 PolarHBondContact O-N 3.01Å; A607-F642 HydrophobicContact CB-CD1 4.22Å; A607-F642 HydrophobicContact CB-CE1 4.08Å; F642-L645 HydrophobicContact CD2-CD2 4.13Å; F642-L645 HydrophobicContact CD2-CG 4Å; F642-L645 HydrophobicContact CE2-CD1 3.67Å; F642-L645 HydrophobicContact CE2-CD2 3.84Å; F642-L645 HydrophobicContact CE2-CG 3.43Å; F642-L645 VanDerWaalsContact CE2-CG 3.43Å; F642-L645 HydrophobicContact CZ-CD1 3.75Å; F642-L645 HydrophobicContact CZ-CD2 4.08Å; F642-L645 HydrophobicContact CZ-CG 3.94Å; F642-M653 HydrophobicContact CB-CB 3.9Å; F642-M653 HydrophobicContact CB-CG 4.14Å; F642-M653 HydrophobicContact CB-SD 4.34Å; F642-M653 HydrophobicContact CD1-CG 3.85Å; F642-M653 HydrophobicContact CD1-SD 3.52Å; F642-M653 VanDerWaalsContact CD1-SD 3.52Å; F642-M653 HydrophobicContact CE1-CG 4.4Å; F642-M653 HydrophobicContact CE1-SD 4.11Å; F642-M653 HydrophobicContact CG-CB 4.2Å; F642-M653 HydrophobicContact CG-CG 3.91Å; F642-M653 HydrophobicContact CG-SD 4.12Å; F642-L656 HydrophobicContact CB-CG 4.33Å
643	N	89.8	Confident	87.8	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.043	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-44.1	179.7	-170.8	51.6	0	0	0	113.2	R479 Y480 R654 D655	R479-N643 VanDerWaalsContact CZ-O 3.28Å; R479-N643 PolarHBondContact NH1-O 3.08Å; R479-N643 PolarHBondContact NH2-O 3.48Å; R479-N643 VanDerWaalsContact NH2-O 3.11Å; Y480-N643 WeakPolarHBondContact CE1-OD1 3.35Å; Y480-N643 PolarHBondContact OH-ND2 3.22Å; Y480-N643 PolarHBondContact OH-OD1 2.79Å; N643-R654 PolarHBondContact N-O 3.42Å; N643-D655 HydrophobicContact CB-CB 3.74Å; N643-D655 PolarHBondContact N-O 3.05Å; N643-D655 VanDerWaalsContact N-O 3.15Å
644	E	84.8	Confident	87.8	Confident	71 Å²	71	55.4 Å²	55.4	33%	0.332	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.5	-178.2	65.3	176.8	-164.7	0	0	111.3	R654	E644-R654 HydrophobicContact CG-CB 3.74Å; E644-R654 HydrophobicContact CG-CG 4.47Å; E644-R654 PolarHBondContact N-O 2.88Å; E644-R654 PolarHBondContact O-N 2.91Å; E644-R654 WeakPolarHBondContact OE1-CD 3.3Å; E644-R654 IonicContact OE1-CZ 3.12Å; E644-R654 IonicContact OE1-NE 2.8Å; E644-R654 IonicContact OE1-NH1 2.63Å; E644-R654 PolarHBondContact OE1-NH1 2.94Å
645	L	84.9	Confident	88	Confident	32 Å²	32	48.5 Å²	48.5	17%	0.168	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.1	169	-69.6	169.1	0	0	0	108.2	L360 V624 F642 Y652 M653	L360-L645 HydrophobicContact CD2-CB 3.38Å; L360-L645 HydrophobicContact CD2-CD1 3.3Å; L360-L645 HydrophobicContact CD2-CG 3.91Å; V624-L645 HydrophobicContact CB-CD2 4.35Å; V624-L645 HydrophobicContact CG1-CD2 3.78Å; F642-L645 HydrophobicContact CD2-CD2 4.13Å; F642-L645 HydrophobicContact CD2-CG 4Å; F642-L645 HydrophobicContact CE2-CD1 3.67Å; F642-L645 HydrophobicContact CE2-CD2 3.84Å; F642-L645 HydrophobicContact CE2-CG 3.43Å; F642-L645 VanDerWaalsContact CE2-CG 3.43Å; F642-L645 HydrophobicContact CZ-CD1 3.75Å; F642-L645 HydrophobicContact CZ-CD2 4.08Å; F642-L645 HydrophobicContact CZ-CG 3.94Å; L645-Y652 CarbonylContact C-O 3.6Å; L645-Y652 WeakPolarHBondContact CA-O 3.36Å; L645-M653 HydrophobicContact CD2-CB 4.36Å; L645-M653 HydrophobicContact CD2-CG 3.54Å
646	L	80.4	Confident	88.3	Confident	41 Å²	41	45.2 Å²	45.2	22%	0.215	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	109.2	177.8	179.8	68.9	0	0	0	108.7	T648 Y652 R654	L646-T648 HydrophobicContact CD2-CG2 4.26Å; L646-T648 HydrophobicContact CG-CG2 4.14Å; L646-Y652 PolarHBondContact N-O 3.44Å; L646-Y652 PolarHBondContact O-N 2.69Å; L646-R654 HydrophobicContact CB-CG 4.47Å
647	H	76.4	Confident	88.8	Confident	71 Å²	71	39.9 Å²	39.9	33%	0.329	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.5	173.8	-172.2	83.8	0	0	0	110.8	V362	V362-H647 HydrophobicContact CB-CB 4.28Å; V362-H647 HydrophobicContact CG1-CB 3.89Å; V362-H647 HydrophobicContact CG2-CB 3.66Å
648	T	74.6	Confident	88.9	Confident	76 Å²	76	41.3 Å²	41.3	47%	0.466	21%	0.212	S	C	.	.	S	Bend	trans	-119.3	-101.9	170.8	56.3	0	0	0	0	109.6	L646 R650 Y652	L646-T648 HydrophobicContact CD2-CG2 4.26Å; L646-T648 HydrophobicContact CG-CG2 4.14Å; T648-R650 PolarHBondContact N-O 3.49Å; T648-Y652 WeakPolarHBondContact OG1-CE2 3.41Å
649	S	77.3	Confident	89	Confident	100 Å²	100	38.8 Å²	38.8	70%	0.699	19%	0.19	S	C	*	.	S	Bend	trans	-82.5	-29.2	167.2	56.2	0	0	0	0	112
650	R	83.9	Confident	88.9	Confident	171 Å²	171	40.5 Å²	40.5	65%	0.645	20%	0.201	S	C	*	.	S	Bend	trans	-133.6	165.7	172.8	-60.3	-176.9	-178	-177.6	0.2	108.5	T648 Y652	T648-R650 PolarHBondContact N-O 3.49Å; R650-Y652 HydrophobicContact CB-CD2 4.43Å; R650-Y652 HydrophobicContact CB-CE2 3.88Å; R650-Y652 VanDerWaalsContact O-CD2 3.3Å; R650-Y652 WeakPolarHBondContact O-CD2 3.33Å; R650-Y652 PolarHBondContact O-N 3.39Å
651	C	86.5	Confident	88.7	Confident	8 Å²	8	41.7 Å²	41.7	5%	0.054	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	112.7	172.5	-161.3	0	0	0	0	109.4	V624 A625	V624-C651 CarbonylContact C-O 3.42Å; V624-C651 WeakPolarHBondContact CA-O 3.34Å; V624-C651 HydrophobicContact CG1-CB 4.17Å; A625-C651 PolarHBondContact N-O 2.94Å
652	Y	90.1	Very high	88.5	Confident	38 Å²	38	46.6 Å²	46.6	15%	0.149	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.5	-177.6	-69.9	-76.6	0	0	0	112.1	A625 H627 L645 L646 T648 R650	A625-Y652 HydrophobicContact CB-CD1 3.95Å; A625-Y652 HydrophobicContact CB-CE1 4.05Å; A625-Y652 CarbonylContact O-C 3.5Å; A625-Y652 VanDerWaalsContact O-CA 3.23Å; A625-Y652 WeakPolarHBondContact O-CA 3.4Å; H627-Y652 HydrophobicContact CB-CD1 4.45Å; H627-Y652 AromaticContact CD2-CG 3.92Å; L645-Y652 CarbonylContact C-O 3.6Å; L645-Y652 WeakPolarHBondContact CA-O 3.36Å; L646-Y652 PolarHBondContact N-O 3.44Å; L646-Y652 PolarHBondContact O-N 2.69Å; T648-Y652 WeakPolarHBondContact OG1-CE2 3.41Å; R650-Y652 HydrophobicContact CB-CD2 4.43Å; R650-Y652 HydrophobicContact CB-CE2 3.88Å; R650-Y652 VanDerWaalsContact O-CD2 3.3Å; R650-Y652 WeakPolarHBondContact O-CD2 3.33Å; R650-Y652 PolarHBondContact O-N 3.39Å
653	M	92.4	Very high	88.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	136	167	-65.1	178.4	-69	0	0	110.1	A607 Y615 V624 A625 I626 H627 V640 F642 L645 L656	A607-M653 HydrophobicContact CB-CE 4.19Å; A607-M653 HydrophobicContact CB-SD 3.39Å; A607-M653 WeakPolarHBondContact CB-SD 3.32Å; Y615-M653 HydrophobicContact CD1-CE 3.91Å; Y615-M653 HydrophobicContact CD2-CE 4.38Å; Y615-M653 HydrophobicContact CG-CE 3.82Å; V624-M653 HydrophobicContact CB-CG 4.09Å; V624-M653 HydrophobicContact CB-SD 4.41Å; V624-M653 HydrophobicContact CG2-CE 3.85Å; V624-M653 HydrophobicContact CG2-CG 4.03Å; V624-M653 HydrophobicContact CG2-SD 3.7Å; A625-M653 PolarHBondContact O-N 3.01Å; I626-M653 HydrophobicContact CG1-CE 3.86Å; H627-M653 WeakPolarHBondContact CB-O 3.24Å; H627-M653 PolarHBondContact N-O 3.44Å; V640-M653 HydrophobicContact CG2-CE 4.15Å; V640-M653 HydrophobicContact CG2-SD 3.99Å; F642-M653 HydrophobicContact CB-CB 3.9Å; F642-M653 HydrophobicContact CB-CG 4.14Å; F642-M653 HydrophobicContact CB-SD 4.34Å; F642-M653 HydrophobicContact CD1-CG 3.85Å; F642-M653 HydrophobicContact CD1-SD 3.52Å; F642-M653 VanDerWaalsContact CD1-SD 3.52Å; F642-M653 HydrophobicContact CE1-CG 4.4Å; F642-M653 HydrophobicContact CE1-SD 4.11Å; F642-M653 HydrophobicContact CG-CB 4.2Å; F642-M653 HydrophobicContact CG-CG 3.91Å; F642-M653 HydrophobicContact CG-SD 4.12Å; L645-M653 HydrophobicContact CD2-CB 4.36Å; L645-M653 HydrophobicContact CD2-CG 3.54Å; M653-L656 HydrophobicContact CB-CD1 4.32Å; M653-L656 HydrophobicContact CB-CD2 3.98Å; M653-L656 HydrophobicContact CB-CG 4.26Å; M653-L656 HydrophobicContact CE-CD2 4.15Å; M653-L656 HydrophobicContact SD-CD2 4.38Å
654	R	90.4	Very high	88.6	Confident	72 Å²	72	47.9 Å²	47.9	27%	0.272	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153	174.7	-65.7	-171.2	62.2	-149.2	-2.1	112.1	H627 N643 E644 L646	H627-R654 HydrophobicContact CB-CG 3.86Å; N643-R654 PolarHBondContact N-O 3.42Å; E644-R654 HydrophobicContact CG-CB 3.74Å; E644-R654 HydrophobicContact CG-CG 4.47Å; E644-R654 PolarHBondContact N-O 2.88Å; E644-R654 PolarHBondContact O-N 2.91Å; E644-R654 WeakPolarHBondContact OE1-CD 3.3Å; E644-R654 IonicContact OE1-CZ 3.12Å; E644-R654 IonicContact OE1-NE 2.8Å; E644-R654 IonicContact OE1-NH1 2.63Å; E644-R654 PolarHBondContact OE1-NH1 2.94Å; L646-R654 HydrophobicContact CB-CG 4.47Å
655	D	92.5	Very high	88.9	Confident	35 Å²	35	47.3 Å²	47.3	19%	0.187	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.2	82.5	-175.7	-48.5	-58	0	0	0	110.7	L503 H533 N643	L503-D655 HydrophobicContact CD2-CB 4.23Å; H533-D655 PolarHBondContact CE1-O 2.8Å; H533-D655 PolarHBondContact ND1-O 2.85Å; N643-D655 HydrophobicContact CB-CB 3.74Å; N643-D655 PolarHBondContact N-O 3.05Å; N643-D655 VanDerWaalsContact N-O 3.15Å
656	L	95.8	Very high	89.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	154.5	-171	-65.2	92	0	0	0	112	G531 D532 H533 I626 L632 V640 V641 F642 M653	G531-L656 CarbonylContact C-O 3.49Å; G531-L656 WeakPolarHBondContact CA-O 3.44Å; D532-L656 PolarHBondContact N-O 3.42Å; D532-L656 PolarHBondContact OD2-N 2.9Å; H533-L656 PolarHBondContact N-O 3.29Å; H533-L656 PolarHBondContact ND1-O 3.09Å; I626-L656 HydrophobicContact CB-CD2 4.46Å; I626-L656 HydrophobicContact CD1-CD2 4.31Å; I626-L656 HydrophobicContact CG1-CD2 3.85Å; I626-L656 HydrophobicContact CG2-CD1 4.05Å; I626-L656 HydrophobicContact CG2-CD2 4.14Å; L632-L656 HydrophobicContact CD1-CB 3.87Å; V640-L656 HydrophobicContact CB-CD2 4.14Å; V640-L656 HydrophobicContact CG1-CD2 4.28Å; V640-L656 HydrophobicContact CG2-CD2 3.93Å; V641-L656 CarbonylContact O-C 3.52Å; V641-L656 WeakPolarHBondContact O-CA 3.38Å; F642-L656 HydrophobicContact CB-CG 4.33Å; M653-L656 HydrophobicContact CB-CD1 4.32Å; M653-L656 HydrophobicContact CB-CD2 3.98Å; M653-L656 HydrophobicContact CB-CG 4.26Å; M653-L656 HydrophobicContact CE-CD2 4.15Å; M653-L656 HydrophobicContact SD-CD2 4.38Å
657	C	96.5	Very high	89.5	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.7	168.9	-169.7	0	0	0	0	109.3	R595 L598 V640 V641	R595-C657 VanDerWaalsContact CG-SG 3.52Å; L598-C657 HydrophobicContact CD1-CB 4.29Å; V640-C657 CarbonylContact C-O 3.56Å; V640-C657 VanDerWaalsContact CA-O 3.28Å; V640-C657 WeakPolarHBondContact CA-O 3.48Å; V641-C657 PolarHBondContact N-O 3.4Å; V641-C657 PolarHBondContact O-N 3.49Å
658	L	95.9	Very high	90	Very high	46 Å²	46	47.2 Å²	47.2	24%	0.241	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	134.4	172	-175	148	0	0	0	109.7	E530 R595 P637	E530-L658 WeakPolarHBondContact O-CB 3.49Å; E530-L658 PolarHBondContact O-N 3.06Å; R595-L658 VanDerWaalsContact CD-O 3.31Å; R595-L658 WeakPolarHBondContact CD-O 3.44Å; P637-L658 HydrophobicContact CB-CD1 3.54Å; P637-L658 HydrophobicContact CB-CG 4.08Å; P637-L658 HydrophobicContact CG-CD1 4.28Å
659	V	95.8	Very high	90.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.024	25%	0.252	C	S	.	.			trans	-138.7	160.3	177.5	-62.1	0	0	0	0	110.4	A599 Y639 V641 W663 L664	A599-V659 HydrophobicContact CB-CB 4.4Å; A599-V659 HydrophobicContact CB-CG1 4Å; Y639-V659 WeakPolarHBondContact CB-O 3.42Å; Y639-V659 PolarHBondContact O-N 2.83Å; V641-V659 HydrophobicContact CB-CG1 4.24Å; V641-V659 HydrophobicContact CG2-CG1 3.82Å; V641-V659 HydrophobicContact CG2-CG2 4.02Å; V659-W663 HydrophobicContact CB-CE3 4.18Å; V659-L664 HydrophobicContact CG2-CD1 4.14Å; V659-L664 HydrophobicContact CG2-CD2 4.46Å; V659-L664 HydrophobicContact CG2-CG 4.31Å
660	D	93.5	Very high	90.7	Very high	72 Å²	72	51.4 Å²	51.4	39%	0.385	26%	0.259	S	S	.	.			trans	-96.1	149.2	173.4	-61	-32.7	0	0	0	110.6	D662 W663	D660-D662 VanDerWaalsContact C-N 3.3Å; D660-D662 PolarHBondContact O-N 2.71Å; D660-W663 HydrophobicContact CB-CD2 3.82Å; D660-W663 HydrophobicContact CB-CE3 4.14Å; D660-W663 HydrophobicContact CB-CG 4.21Å; D660-W663 HydrophobicContact CB-CZ2 4.27Å; D660-W663 HydrophobicContact CB-CZ3 4.49Å; D660-W663 PolarHBondContact O-N 3Å; D660-W663 VanDerWaalsContact OD2-CH2 3.3Å; D660-W663 WeakPolarHBondContact OD2-CH2 3.31Å; D660-W663 WeakPolarHBondContact OD2-CZ2 3.35Å
661	A	90.6	Very high	90.7	Very high	25 Å²	25	44.6 Å²	44.6	21%	0.207	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-39.3	-178.6	0	0	0	0	0	112.5	Y639 W663 L664 L665	Y639-A661 HydrophobicContact CD2-CB 3.96Å; Y639-A661 HydrophobicContact CE2-CB 3.67Å; A661-W663 PolarHBondContact O-N 3.4Å; A661-L664 WeakPolarHBondContact O-CB 3.25Å; A661-L664 PolarHBondContact O-N 2.79Å; A661-L664 VanDerWaalsContact O-N 3.1Å; A661-L665 PolarHBondContact O-N 3.28Å
662	D	92.9	Very high	90.3	Very high	104 Å²	104	44.2 Å²	44.2	56%	0.556	23%	0.231	S	C	*	.	H	α-helix	trans	-61.2	-35.1	-179.6	-64.2	-24.1	0	0	0	111.5	D660 L664 L665 D666	D660-D662 VanDerWaalsContact C-N 3.3Å; D660-D662 PolarHBondContact O-N 2.71Å; D662-L664 VanDerWaalsContact C-N 3.34Å; D662-L664 PolarHBondContact O-N 3.15Å; D662-L665 WeakPolarHBondContact O-CB 3.5Å; D662-L665 PolarHBondContact O-N 3.29Å; D662-D666 WeakPolarHBondContact O-CB 3.4Å; D662-D666 PolarHBondContact O-N 3.18Å
663	W	94.4	Very high	89.2	Confident	40 Å²	40	44 Å²	44	15%	0.152	24%	0.239	C	C	.	.	H	α-helix	trans	-70.2	-31.9	177.6	-53.4	-17.7	0	0	0	112.6	R595 R596 A599 V659 D660 A661 A667	R595-W663 HydrophobicContact CB-CH2 4.45Å; R595-W663 HydrophobicContact CB-CZ3 3.8Å; R596-W663 HydrophobicContact CG-CD2 3.43Å; R596-W663 VanDerWaalsContact CG-CD2 3.43Å; R596-W663 VanDerWaalsContact CG-CE2 3.49Å; R596-W663 HydrophobicContact CG-CE3 3.74Å; R596-W663 HydrophobicContact CG-CG 3.83Å; R596-W663 HydrophobicContact CG-CH2 4.14Å; R596-W663 HydrophobicContact CG-CZ2 3.85Å; R596-W663 HydrophobicContact CG-CZ3 4.09Å; A599-W663 HydrophobicContact CB-CB 4.09Å; V659-W663 HydrophobicContact CB-CE3 4.18Å; D660-W663 HydrophobicContact CB-CD2 3.82Å; D660-W663 HydrophobicContact CB-CE3 4.14Å; D660-W663 HydrophobicContact CB-CG 4.21Å; D660-W663 HydrophobicContact CB-CZ2 4.27Å; D660-W663 HydrophobicContact CB-CZ3 4.49Å; D660-W663 PolarHBondContact O-N 3Å; D660-W663 VanDerWaalsContact OD2-CH2 3.3Å; D660-W663 WeakPolarHBondContact OD2-CH2 3.31Å; D660-W663 WeakPolarHBondContact OD2-CZ2 3.35Å; A661-W663 PolarHBondContact O-N 3.4Å; W663-A667 VanDerWaalsContact O-CB 3.24Å; W663-A667 WeakPolarHBondContact O-CB 3.43Å; W663-A667 PolarHBondContact O-N 3.37Å
664	L	91.6	Very high	87.6	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.5	-44.1	173.2	-65.7	174.7	0	0	0	109.9	A599 F603 A606 L618 Y639 V641 V659 A661 D662 D666 A667 A668 F672	A599-L664 HydrophobicContact CB-CD2 4.21Å; F603-L664 HydrophobicContact CB-CD2 4.2Å; A606-L664 HydrophobicContact CB-CD1 3.88Å; A606-L664 HydrophobicContact CB-CD2 3.99Å; L618-L664 HydrophobicContact CD1-CD1 4.05Å; Y639-L664 HydrophobicContact CD1-CD1 4.33Å; V641-L664 HydrophobicContact CG2-CD2 4.24Å; V659-L664 HydrophobicContact CG2-CD1 4.14Å; V659-L664 HydrophobicContact CG2-CD2 4.46Å; V659-L664 HydrophobicContact CG2-CG 4.31Å; A661-L664 WeakPolarHBondContact O-CB 3.25Å; A661-L664 PolarHBondContact O-N 2.79Å; A661-L664 VanDerWaalsContact O-N 3.1Å; D662-L664 VanDerWaalsContact C-N 3.34Å; D662-L664 PolarHBondContact O-N 3.15Å; L664-D666 PolarHBondContact O-N 3.12Å; L664-A667 WeakPolarHBondContact O-CB 3.46Å; L664-A667 PolarHBondContact O-N 2.94Å; L664-A668 PolarHBondContact O-N 3.26Å; L664-A668 VanDerWaalsContact O-N 3.16Å; L664-F672 VanDerWaalsContact C-CD2 3.5Å; L664-F672 HydrophobicContact CB-CD2 4.17Å; L664-F672 HydrophobicContact CB-CE1 4.43Å; L664-F672 HydrophobicContact CB-CE2 3.76Å; L664-F672 HydrophobicContact CB-CZ 3.9Å; L664-F672 HydrophobicContact CD2-CE2 4.47Å; L664-F672 HydrophobicContact CD2-CZ 4.2Å; L664-F672 HydrophobicContact CG-CZ 4.45Å; L664-F672 WeakPolarHBondContact O-CD2 3.44Å; L664-F672 WeakPolarHBondContact O-CE2 3.39Å
665	L	89.9	Confident	86.3	Confident	59 Å²	59	54 Å²	54	31%	0.309	28%	0.278	S	S	.	.	H	α-helix	trans	-57.5	-47.3	173.5	-74.9	166	0	0	0	111.7	A661 D662 A667 A668 P669 F672 L676	A661-L665 PolarHBondContact O-N 3.28Å; D662-L665 WeakPolarHBondContact O-CB 3.5Å; D662-L665 PolarHBondContact O-N 3.29Å; L665-A667 VanDerWaalsContact C-N 3.31Å; L665-A667 PolarHBondContact O-N 3.25Å; L665-A668 CarbonylContact O-C 3.59Å; L665-A668 PolarHBondContact O-N 3.31Å; L665-P669 WeakPolarHBondContact O-CA 3.35Å; L665-P669 VanDerWaalsContact O-CD 3.24Å; L665-P669 WeakPolarHBondContact O-CD 3.4Å; L665-P669 VanDerWaalsContact O-CG 3.26Å; L665-P669 WeakPolarHBondContact O-CG 3.35Å; L665-F672 HydrophobicContact CD2-CB 3.8Å; L665-L676 HydrophobicContact CD1-CD1 4.33Å; L665-L676 HydrophobicContact CD2-CB 4.4Å; L665-L676 HydrophobicContact CD2-CD1 3.7Å; L665-L676 HydrophobicContact CG-CD1 3.65Å
666	D	89.9	Confident	84.6	Confident	107 Å²	107	53.4 Å²	53.4	57%	0.572	28%	0.275	S	S	*	.	H	α-helix	trans	-63.6	-36.2	177.8	-70.5	-19.4	0	0	0	112.3	D662 L664	D662-D666 WeakPolarHBondContact O-CB 3.4Å; D662-D666 PolarHBondContact O-N 3.18Å; L664-D666 PolarHBondContact O-N 3.12Å
667	A	88.7	Confident	82.3	Confident	22 Å²	22	60.1 Å²	60.1	18%	0.182	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-40.1	179	0	0	0	0	0	113.4	H600 F603 W663 L664 L665	H600-A667 HydrophobicContact CB-CB 4.12Å; F603-A667 HydrophobicContact CB-CB 4.21Å; W663-A667 VanDerWaalsContact O-CB 3.24Å; W663-A667 WeakPolarHBondContact O-CB 3.43Å; W663-A667 PolarHBondContact O-N 3.37Å; L664-A667 WeakPolarHBondContact O-CB 3.46Å; L664-A667 PolarHBondContact O-N 2.94Å; L665-A667 VanDerWaalsContact C-N 3.31Å; L665-A667 PolarHBondContact O-N 3.25Å
668	A	87.7	Confident	79.9	Confident	13 Å²	13	67.3 Å²	67.3	11%	0.107	34%	0.344	C	S	.	.			trans	-150.5	77	-178	0	0	0	0	0	111.4	F603 L664 L665 E670 Y671 F672	F603-A668 HydrophobicContact CD2-CB 3.67Å; F603-A668 HydrophobicContact CE1-CB 4.47Å; F603-A668 HydrophobicContact CE2-CB 3.57Å; F603-A668 HydrophobicContact CG-CB 4.18Å; F603-A668 HydrophobicContact CZ-CB 3.99Å; L664-A668 PolarHBondContact O-N 3.26Å; L664-A668 VanDerWaalsContact O-N 3.16Å; L665-A668 CarbonylContact O-C 3.59Å; L665-A668 PolarHBondContact O-N 3.31Å; A668-E670 PolarHBondContact O-N 2.94Å; A668-Y671 HydrophobicContact CB-CD1 4.45Å; A668-Y671 HydrophobicContact CB-CG 4.42Å; A668-Y671 PolarHBondContact O-N 3.31Å; A668-Y671 VanDerWaalsContact O-N 3.15Å; A668-F672 HydrophobicContact CB-CD2 4.07Å; A668-F672 HydrophobicContact CB-CE2 4.17Å; A668-F672 WeakPolarHBondContact O-CD2 3.17Å; A668-F672 PolarHBondContact O-N 3.12Å
669	P	85.8	Confident	77.1	Confident	85 Å²	85	70 Å²	70	55%	0.552	36%	0.362	S	S	*	.	H	α-helix	trans	-59.4	-42.2	-173.1	-24.7	31.9	0	0	0	113.3	L665 G673	L665-P669 WeakPolarHBondContact O-CA 3.35Å; L665-P669 VanDerWaalsContact O-CD 3.24Å; L665-P669 WeakPolarHBondContact O-CD 3.4Å; L665-P669 VanDerWaalsContact O-CG 3.26Å; L665-P669 WeakPolarHBondContact O-CG 3.35Å; P669-G673 WeakPolarHBondContact O-CA 3.25Å; P669-G673 PolarHBondContact O-N 2.79Å
670	E	81.1	Confident	74.2	Confident	179 Å²	179	80.5 Å²	80.5	84%	0.836	40%	0.401	S	S	*	.	H	α-helix	trans	-69.4	-35.1	179.7	-63.1	-174.1	172.3	0	0	112.6	A668	A668-E670 PolarHBondContact O-N 2.94Å
671	Y	82.1	Confident	71.1	Confident	28 Å²	28	85.8 Å²	85.8	11%	0.11	44%	0.444	C	S	.	.	H	α-helix	trans	-71	-45.5	-179	176.9	-96.8	0	0	0	111.2	L451 F603 D619 A668 K675	L451-Y671 HydrophobicContact CD1-CD2 4.17Å; L451-Y671 HydrophobicContact CD1-CE2 3.85Å; L451-Y671 HydrophobicContact CD2-CD2 3.62Å; L451-Y671 HydrophobicContact CD2-CE2 4.17Å; F603-Y671 AromaticContact CD2-CD1 3.83Å; F603-Y671 HydrophobicContact CD2-CD1 3.83Å; F603-Y671 HydrophobicContact CD2-CE1 4.01Å; F603-Y671 HydrophobicContact CD2-CG 4.41Å; F603-Y671 AromaticContact CE2-CD1 3.84Å; F603-Y671 HydrophobicContact CE2-CD1 3.84Å; F603-Y671 HydrophobicContact CE2-CD2 4.39Å; F603-Y671 HydrophobicContact CE2-CE1 4.15Å; F603-Y671 AromaticContact CE2-CG 3.96Å; F603-Y671 HydrophobicContact CE2-CG 3.96Å; D619-Y671 VanDerWaalsContact CA-OH 3.23Å; D619-Y671 WeakPolarHBondContact CA-OH 3.48Å; D619-Y671 WeakPolarHBondContact CB-OH 3.46Å; D619-Y671 PolarHBondContact OD1-OH 3.15Å; A668-Y671 HydrophobicContact CB-CD1 4.45Å; A668-Y671 HydrophobicContact CB-CG 4.42Å; A668-Y671 PolarHBondContact O-N 3.31Å; A668-Y671 VanDerWaalsContact O-N 3.15Å; Y671-K675 HydrophobicContact CE1-CD 4.22Å; Y671-K675 PolarHBondContact OH-NZ 3.38Å; Y671-K675 VanDerWaalsContact OH-NZ 3.16Å
672	F	79.8	Confident	70.1	Confident	0 Å²	0	88.9 Å²	88.9	0%	0	46%	0.456	C	S	.	.	H	α-helix	trans	-89	-22.8	-179.1	-71	-67.3	0	0	0	114.4	F603 L618 L664 L665 A668 R674 K675 L676	F603-F672 HydrophobicContact CB-CE2 3.82Å; F603-F672 HydrophobicContact CB-CZ 4Å; F603-F672 AromaticContact CD2-CE2 3.73Å; F603-F672 HydrophobicContact CD2-CE2 3.73Å; F603-F672 HydrophobicContact CD2-CZ 4.03Å; F603-F672 HydrophobicContact CG-CE2 4.18Å; F603-F672 WeakPolarHBondContact O-CZ 3.29Å; L618-F672 HydrophobicContact CB-CE1 4.23Å; L618-F672 HydrophobicContact CD1-CD1 4.39Å; L618-F672 HydrophobicContact CD1-CE1 3.73Å; L664-F672 VanDerWaalsContact C-CD2 3.5Å; L664-F672 HydrophobicContact CB-CD2 4.17Å; L664-F672 HydrophobicContact CB-CE1 4.43Å; L664-F672 HydrophobicContact CB-CE2 3.76Å; L664-F672 HydrophobicContact CB-CZ 3.9Å; L664-F672 HydrophobicContact CD2-CE2 4.47Å; L664-F672 HydrophobicContact CD2-CZ 4.2Å; L664-F672 HydrophobicContact CG-CZ 4.45Å; L664-F672 WeakPolarHBondContact O-CD2 3.44Å; L664-F672 WeakPolarHBondContact O-CE2 3.39Å; L665-F672 HydrophobicContact CD2-CB 3.8Å; A668-F672 HydrophobicContact CB-CD2 4.07Å; A668-F672 HydrophobicContact CB-CE2 4.17Å; A668-F672 WeakPolarHBondContact O-CD2 3.17Å; A668-F672 PolarHBondContact O-N 3.12Å; F672-R674 PolarHBondContact O-N 3.24Å; F672-K675 PolarHBondContact O-N 2.59Å; F672-L676 HydrophobicContact CB-CD1 3.64Å; F672-L676 HydrophobicContact CB-CG 3.98Å; F672-L676 HydrophobicContact CD1-CD1 3.77Å; F672-L676 HydrophobicContact CD1-CG 3.85Å; F672-L676 HydrophobicContact CG-CD1 3.83Å; F672-L676 HydrophobicContact CG-CG 4.25Å; F672-L676 PolarHBondContact O-N 3.15Å
673	G	66.3	Low	68.9	Low	32 Å²	32	88.1 Å²	88.1	33%	0.33	45%	0.451	S	S	.	.	H	α-helix	trans	-57.1	-23.4	174.5	0	0	0	0	0	113	P669 H677	P669-G673 WeakPolarHBondContact O-CA 3.25Å; P669-G673 PolarHBondContact O-N 2.79Å; G673-H677 PolarHBondContact O-CD2 2.91Å
674	R	59.3	Low	67.5	Low	232 Å²	232	90.7 Å²	90.7	88%	0.875	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-18.8	171.9	-63.4	-176.8	-176.1	177.4	3.2	114.5	F672	F672-R674 PolarHBondContact O-N 3.24Å
675	K	61.8	Low	66.1	Low	50 Å²	50	96.1 Å²	96.1	22%	0.217	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-26.8	-168.7	-65.6	-171.1	176.5	-165.8	0	114.8	L618 D619 Y671 F672	L618-K675 WeakPolarHBondContact O-CD 3.35Å; D619-K675 PolarHBondContact O-NZ 2.64Å; D619-K675 IonicContact OD1-NZ 3.57Å; D619-K675 PolarHBondContact OD1-NZ 3.35Å; Y671-K675 HydrophobicContact CE1-CD 4.22Å; Y671-K675 PolarHBondContact OH-NZ 3.38Å; Y671-K675 VanDerWaalsContact OH-NZ 3.16Å; F672-K675 PolarHBondContact O-N 2.59Å
676	L	58	Low	64.6	Low	23 Å²	23	98.4 Å²	98.4	12%	0.12	51%	0.507	C	S	.	.	S	Bend	trans	-95	-4.1	-180	-69.7	176.8	0	0	0	113.5	L618 Y639 L665 F672 L678	L618-L676 HydrophobicContact CD1-CD2 4.11Å; L618-L676 HydrophobicContact CD2-CD2 4.14Å; Y639-L676 HydrophobicContact CE1-CD2 4.1Å; L665-L676 HydrophobicContact CD1-CD1 4.33Å; L665-L676 HydrophobicContact CD2-CB 4.4Å; L665-L676 HydrophobicContact CD2-CD1 3.7Å; L665-L676 HydrophobicContact CG-CD1 3.65Å; F672-L676 HydrophobicContact CB-CD1 3.64Å; F672-L676 HydrophobicContact CB-CG 3.98Å; F672-L676 HydrophobicContact CD1-CD1 3.77Å; F672-L676 HydrophobicContact CD1-CG 3.85Å; F672-L676 HydrophobicContact CG-CD1 3.83Å; F672-L676 HydrophobicContact CG-CG 4.25Å; F672-L676 PolarHBondContact O-N 3.15Å; L676-L678 VanDerWaalsContact C-N 3.25Å; L676-L678 PolarHBondContact O-N 2.9Å
677	H	47.8	Very low	63	Low	142 Å²	142	97.8 Å²	97.8	66%	0.657	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	59	174.7	-82.2	-39.6	0	0	0	113.2	G673	G673-H677 PolarHBondContact O-CD2 2.91Å
678	L	44.3	Very low	61.1	Low	150 Å²	150	103.2 Å²	103.2	79%	0.785	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	3	164.9	-86.3	163.9	0	0	0	113.9	L676	L676-L678 VanDerWaalsContact C-N 3.25Å; L676-L678 PolarHBondContact O-N 2.9Å
679	T	37.8	Very low	59.1	Low	103 Å²	103	110.2 Å²	110.2	63%	0.632	56%	0.558	S	S	*	*	S	Bend	trans	-129.8	16.5	-177.1	43.3	0	0	0	0	115.2
680	R	34.1	Very low	56.8	Low	224 Å²	224	112.3 Å²	112.3	85%	0.845	56%	0.558	S	S	*	*			trans	-116.5	69.9	163.9	-75.3	-169	179.7	178.2	2.9	111
681	S	29.8	Very low	54.6	Low	184 Å²	184	106.2 Å²	106.2	100%	1.287	53%	0.533	S	S	*	.			trans	-156.3	0	157.2	51.7	0	0	0	0	109.2

Retrieved 681 of 681 residues in 733.9 ms (Link to these results)

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