A0A087Y2X9_POEFO Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors that functions in the canonical Wnt/beta-catenin signaling pathway. Required for normal fusion of the chorion and the allantois during placenta development. Required for central nervous system (CNS) angiogenesis and blood-brain barrier regulation.

AlphaFold DB , UniProt , Accession A0A087Y2X9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 274 aa.

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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	40.1	Very low	32.8	Very low	243 Å²	243	138.3 Å²	138.3	100%	1.197	83%	0.829	S	S	*	*				0	107.9	0	-75.6	174.3	177	0	0	109.4
2	K	28.8	Very low	32.6	Very low	207 Å²	207	138.3 Å²	138.3	90%	0.9	82%	0.822	S	S	*	*			trans	-178	91.6	155.5	-101.3	174.8	-172.8	-175.1	0	105.4	T4	K2-T4 PolarHBondContact O-N 3.3Å
3	H	29.5	Very low	32.3	Very low	190 Å²	190	136 Å²	136	88%	0.88	82%	0.816	S	S	*	*			trans	-76.8	109.7	171.5	-80.6	-75.8	0	0	0	107.8	S5	H3-S5 PolarHBondContact O-N 2.92Å
4	T	33.6	Very low	32.4	Very low	132 Å²	132	135.2 Å²	135.2	81%	0.81	81%	0.812	S	S	*	*			trans	-87.4	100.4	164.6	39.9	0	0	0	0	108.2	K2 T6	K2-T4 PolarHBondContact O-N 3.3Å; T4-T6 PolarHBondContact O-N 3.41Å
5	S	30.4	Very low	32	Very low	116 Å²	116	130.7 Å²	130.7	81%	0.811	80%	0.796	S	S	*	*			trans	-66.4	108.9	171.2	-55.5	0	0	0	0	109.5	H3 A7	H3-S5 PolarHBondContact O-N 2.92Å; S5-A7 PolarHBondContact O-N 2.88Å
6	T	35.8	Very low	32.1	Very low	136 Å²	136	129.4 Å²	129.4	83%	0.834	80%	0.802	S	S	*	*			trans	-76.5	108.1	167.3	47.9	0	0	0	0	108.5	T4 G8	T4-T6 PolarHBondContact O-N 3.41Å; T6-G8 PolarHBondContact O-N 3Å
7	A	32.3	Very low	32.2	Very low	102 Å²	102	127.4 Å²	127.4	84%	0.843	79%	0.794	S	S	*	*			trans	-59.4	115	170.9	0	0	0	0	0	109.3	S5	S5-A7 PolarHBondContact O-N 2.88Å
8	G	32	Very low	32.2	Very low	58 Å²	58	124.2 Å²	124.2	60%	0.598	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-66.2	157	167.9	0	0	0	0	0	110.7	T6	T6-G8 PolarHBondContact O-N 3Å
9	P	35.4	Very low	32.4	Very low	120 Å²	120	122.7 Å²	122.7	78%	0.779	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-57.7	146.1	175.3	25.9	-32.2	0	0	0	109.5	S11	P9-S11 PolarHBondContact O-N 3.25Å
10	P	30.6	Very low	33	Very low	110 Å²	110	121.2 Å²	121.2	71%	0.714	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-57.9	122.1	179.9	24	-31	0	0	0	108.2	N12	P10-N12 PolarHBondContact O-N 3.5Å
11	S	32.7	Very low	33.7	Very low	107 Å²	107	124.5 Å²	124.5	75%	0.748	77%	0.773	S	S	*	*			trans	-59.5	95.3	164.4	51.3	0	0	0	0	106.9	P9 S13	P9-S11 PolarHBondContact O-N 3.25Å; S11-S13 PolarHBondContact O-N 3.18Å
12	N	30.1	Very low	34.4	Very low	139 Å²	139	115 Å²	115	74%	0.743	73%	0.733	S	S	*	*			trans	-66.8	83.9	164.3	-85.5	-7.8	0	0	0	106.8	P10 V14	P10-N12 PolarHBondContact O-N 3.5Å; N12-V14 HydrophobicContact CB-CG2 4.43Å; N12-V14 PolarHBondContact O-N 3.23Å
13	S	28.3	Very low	36	Very low	108 Å²	108	111.2 Å²	111.2	76%	0.755	72%	0.723	S	S	*	*			trans	-60.2	85.7	151.9	50.7	0	0	0	0	106.1	S11 A15	S11-S13 PolarHBondContact O-N 3.18Å; S13-A15 PolarHBondContact O-N 3.39Å
14	V	33.2	Very low	38.4	Very low	125 Å²	125	107.5 Å²	107.5	76%	0.758	70%	0.701	S	S	*	*			trans	-64.4	93.6	163.3	179.2	0	0	0	0	104.5	N12 A16	N12-V14 HydrophobicContact CB-CG2 4.43Å; N12-V14 PolarHBondContact O-N 3.23Å; V14-A16 PolarHBondContact O-N 2.86Å
15	A	27.7	Very low	41.1	Very low	68 Å²	68	101.3 Å²	101.3	56%	0.562	66%	0.663	S	S	*	*			trans	-55	114.2	168.9	0	0	0	0	0	106.1	S13 S17	S13-A15 PolarHBondContact O-N 3.39Å; A15-S17 WeakPolarHBondContact CB-OG 3.39Å; A15-S17 PolarHBondContact O-N 2.04Å
16	A	33.1	Very low	44.1	Very low	109 Å²	109	96.1 Å²	96.1	90%	0.901	63%	0.627	S	S	*	*	S	Bend	trans	-71.3	47.2	172.1	0	0	0	0	0	110.4	V14	V14-A16 PolarHBondContact O-N 2.86Å
17	S	33.2	Very low	47	Very low	96 Å²	96	92.8 Å²	92.8	67%	0.671	60%	0.599	S	S	*	*			trans	-116.7	14.7	-176.4	-12.7	0	0	0	0	111.8	A15 S19	A15-S17 WeakPolarHBondContact CB-OG 3.39Å; A15-S17 PolarHBondContact O-N 2.04Å; S17-S19 PolarHBondContact O-N 2.85Å
18	G	33.2	Very low	50	Low	69 Å²	69	90 Å²	90	71%	0.711	57%	0.569	S	S	*	*			trans	-73.7	81.5	156.1	0	0	0	0	0	108	C20	G18-C20 PolarHBondContact O-N 2.88Å
19	S	36.2	Very low	53	Low	96 Å²	96	87.3 Å²	87.3	67%	0.671	54%	0.541	S	S	*	.			trans	-63.1	88.1	165.1	168	0	0	0	0	106.7	S17 R21	S17-S19 PolarHBondContact O-N 2.85Å; S19-R21 PolarHBondContact O-N 3.38Å
20	C	43.2	Very low	55.9	Low	93 Å²	93	81.6 Å²	81.6	63%	0.628	50%	0.504	S	S	*	.			trans	-51.9	96.5	154.6	-71.9	0	0	0	0	104.5	G18 A22	G18-C20 PolarHBondContact O-N 2.88Å; C20-A22 PolarHBondContact O-N 3.31Å
21	R	48.8	Very low	59.1	Low	191 Å²	191	78.7 Å²	78.7	72%	0.721	48%	0.48	S	S	*	.			trans	-66.1	82.1	162.2	-80.4	-176.2	178.5	-173.8	1.2	103	S19 N23	S19-R21 PolarHBondContact O-N 3.38Å; R21-N23 PolarHBondContact O-N 3.1Å
22	A	54.1	Low	62.2	Low	44 Å²	44	77.1 Å²	77.1	36%	0.364	47%	0.466	S	S	.	.			trans	-67.5	65.9	168.5	0	0	0	0	0	105.5	C20 R24 A29 R102	C20-A22 PolarHBondContact O-N 3.31Å; A22-R24 PolarHBondContact O-N 2.95Å; A22-A29 HydrophobicContact CB-CB 4.37Å; A22-R102 PolarHBondContact O-NH1 2.96Å; A22-R102 PolarHBondContact O-NH2 3.19Å
23	N	61.6	Low	65.4	Low	127 Å²	127	73.2 Å²	73.2	68%	0.679	44%	0.441	S	S	*	.			trans	-77.1	-9.2	-179	-129.8	-0.1	0	0	0	109.9	R21 R102	R21-N23 PolarHBondContact O-N 3.1Å; N23-R102 PolarHBondContact O-NH1 3.16Å
24	R	80.6	Confident	68.7	Low	112 Å²	112	68 Å²	68	42%	0.423	41%	0.405	S	S	.	.	S	Bend	trans	-94.2	146.2	173.5	-67.8	-162	172.7	-169.1	1.3	113.6	A22 S26 R102 E197	A22-R24 PolarHBondContact O-N 2.95Å; R24-S26 PolarHBondContact O-N 2Å; R24-S26 VanDerWaalsContact O-N 3.16Å; R24-R102 VanDerWaalsContact N-NH1 3.19Å; R24-R102 PolarHBondContact O-NH1 3.04Å; R24-R102 PolarHBondContact O-NH2 3.49Å; R24-E197 WeakPolarHBondContact CA-OE2 3.4Å; R24-E197 WeakPolarHBondContact CB-OE2 3.03Å; R24-E197 WeakPolarHBondContact CG-OE2 3.08Å
25	G	90.8	Very high	71.8	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.01	38%	0.377	C	S	.	.			trans	-85.8	51.9	176.3	0	0	0	0	0	111.7	I196 E197	G25-I196 PolarHBondContact O-N 2.87Å; G25-E197 PolarHBondContact N-OE2 3.16Å; G25-E197 PolarHBondContact O-N 3.48Å
26	S	94.3	Very high	75.2	Confident	7 Å²	7	63.8 Å²	63.8	5%	0.049	37%	0.371	C	S	.	.			trans	-84	173	-174.6	77	0	0	0	0	112.7	R24 E28 A29 A30 E197	R24-S26 PolarHBondContact O-N 2Å; R24-S26 VanDerWaalsContact O-N 3.16Å; S26-E28 VanDerWaalsContact C-N 3.29Å; S26-E28 WeakPolarHBondContact CB-OE2 3.46Å; S26-E28 PolarHBondContact O-N 2.9Å; S26-E28 PolarHBondContact OG-N 3.19Å; S26-E28 PolarHBondContact OG-OE2 3.35Å; S26-A29 WeakPolarHBondContact O-CB 2.99Å; S26-A29 PolarHBondContact O-N 3.46Å; S26-A29 PolarHBondContact OG-N 3.2Å; S26-A30 PolarHBondContact O-N 2.96Å; S26-E197 WeakPolarHBondContact CA-O 3.46Å
27	R	95.1	Very high	78.3	Confident	66 Å²	66	58.6 Å²	58.6	25%	0.249	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-36.6	177.2	-166.3	-172.6	-74	-165	3.7	112.5	A30 F31 Y157 N158 A160 Y195	R27-A30 WeakPolarHBondContact O-CB 3.33Å; R27-A30 PolarHBondContact O-N 3.45Å; R27-F31 PolarHBondContact O-N 2.82Å; R27-F31 VanDerWaalsContact O-N 3.14Å; R27-Y157 HydrophobicContact CB-CD2 4.46Å; R27-Y157 HydrophobicContact CB-CE2 3.94Å; R27-Y157 WeakPolarHBondContact CD-O 3.35Å; R27-Y157 HydrophobicContact CG-CD2 3.6Å; R27-Y157 HydrophobicContact CG-CE2 3.44Å; R27-Y157 VanDerWaalsContact CG-CE2 3.44Å; R27-Y157 HydrophobicContact CG-CG 4.33Å; R27-Y157 WeakPolarHBondContact O-CD2 3.02Å; R27-N158 PolarHBondContact NH1-O 3.25Å; R27-A160 HydrophobicContact CG-CB 3.83Å; R27-Y195 HydrophobicContact CB-CD1 4.27Å; R27-Y195 HydrophobicContact CB-CG 4.37Å; R27-Y195 HydrophobicContact CG-CD1 4.34Å; R27-Y195 PolarHBondContact NH2-OH 2.76Å
28	E	95.1	Very high	81.4	Confident	44 Å²	44	54 Å²	54	21%	0.206	30%	0.296	C	S	.	.	H	α-helix	trans	-70.5	-36.2	179.1	-54.1	73.7	-159.5	0	0	110.8	S26 T32 Y157 S199 Y202	S26-E28 VanDerWaalsContact C-N 3.29Å; S26-E28 WeakPolarHBondContact CB-OE2 3.46Å; S26-E28 PolarHBondContact O-N 2.9Å; S26-E28 PolarHBondContact OG-N 3.19Å; S26-E28 PolarHBondContact OG-OE2 3.35Å; E28-T32 WeakPolarHBondContact O-CB 3.39Å; E28-T32 PolarHBondContact O-N 3.15Å; E28-T32 PolarHBondContact O-OG1 2.93Å; E28-Y157 HydrophobicContact CB-CE2 4.47Å; E28-Y157 HydrophobicContact CG-CE2 4.05Å; E28-Y157 PolarHBondContact OE1-OH 2.81Å; E28-S199 VanDerWaalsContact CD-OG 3.23Å; E28-S199 VanDerWaalsContact OE1-CB 3.31Å; E28-S199 WeakPolarHBondContact OE1-CB 3.48Å; E28-S199 PolarHBondContact OE1-OG 3.05Å; E28-S199 PolarHBondContact OE2-OG 3.45Å; E28-Y202 HydrophobicContact CG-CE2 4.36Å; E28-Y202 PolarHBondContact OE2-OH 3.43Å
29	A	94.8	Very high	84.5	Confident	2 Å²	2	51.7 Å²	51.7	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-49.8	170.4	0	0	0	0	0	109.9	A22 S26 F31 T32 Y33	A22-A29 HydrophobicContact CB-CB 4.37Å; S26-A29 WeakPolarHBondContact O-CB 2.99Å; S26-A29 PolarHBondContact O-N 3.46Å; S26-A29 PolarHBondContact OG-N 3.2Å; A29-F31 VanDerWaalsContact C-N 3.31Å; A29-F31 PolarHBondContact O-N 3Å; A29-T32 WeakPolarHBondContact O-CB 3.43Å; A29-T32 PolarHBondContact O-N 3.06Å; A29-Y33 VanDerWaalsContact O-CD2 3.26Å; A29-Y33 WeakPolarHBondContact O-CD2 3.25Å; A29-Y33 PolarHBondContact O-N 2.82Å
30	A	97.1	Very high	87.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-51.8	-48.2	179.2	0	0	0	0	0	112.9	S26 R27 Y33 A34 N109 L193 V194	S26-A30 PolarHBondContact O-N 2.96Å; R27-A30 WeakPolarHBondContact O-CB 3.33Å; R27-A30 PolarHBondContact O-N 3.45Å; A30-Y33 PolarHBondContact O-N 3.22Å; A30-A34 PolarHBondContact O-N 2.91Å; A30-A34 VanDerWaalsContact O-N 3.12Å; A30-N109 VanDerWaalsContact CA-ND2 3.34Å; A30-N109 WeakPolarHBondContact CA-ND2 3.35Å; A30-N109 WeakPolarHBondContact CB-ND2 3.44Å; A30-L193 HydrophobicContact CB-CB 4.37Å; A30-V194 VanDerWaalsContact CB-O 3.29Å; A30-V194 WeakPolarHBondContact CB-O 3.19Å
31	F	97.9	Very high	90.1	Very high	49 Å²	49	44.1 Å²	44.1	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-43.1	175.4	175.9	-95.4	0	0	0	112.8	R27 A29 Y33 A34 I35 L153 K154 Y157 L193	R27-F31 PolarHBondContact O-N 2.82Å; R27-F31 VanDerWaalsContact O-N 3.14Å; A29-F31 VanDerWaalsContact C-N 3.31Å; A29-F31 PolarHBondContact O-N 3Å; F31-Y33 VanDerWaalsContact C-N 3.35Å; F31-Y33 PolarHBondContact O-N 2.83Å; F31-A34 PolarHBondContact O-N 3.2Å; F31-I35 HydrophobicContact CD1-CG2 4.32Å; F31-I35 HydrophobicContact CE1-CB 4.35Å; F31-I35 HydrophobicContact CE1-CG2 4.08Å; F31-I35 HydrophobicContact CZ-CB 4.31Å; F31-I35 HydrophobicContact CZ-CG1 4.47Å; F31-I35 VanDerWaalsContact O-CG2 3.3Å; F31-I35 WeakPolarHBondContact O-CG2 3.4Å; F31-I35 PolarHBondContact O-N 2.03Å; F31-L153 HydrophobicContact CD2-CB 4.03Å; F31-L153 WeakPolarHBondContact CD2-O 3.2Å; F31-L153 HydrophobicContact CE2-CB 3.64Å; F31-K154 HydrophobicContact CE2-CB 4.26Å; F31-Y157 HydrophobicContact CB-CD2 3.68Å; F31-Y157 HydrophobicContact CB-CG 4.34Å; F31-Y157 HydrophobicContact CG-CD2 4.33Å; F31-L193 HydrophobicContact CB-CD1 4.23Å; F31-L193 HydrophobicContact CD2-CD1 4.46Å
32	T	97.1	Very high	92.5	Very high	73 Å²	73	36.6 Å²	36.6	45%	0.448	19%	0.192	S	C	.	.	H	α-helix	trans	-60.2	-43.5	179.8	-57	0	0	0	0	111.9	E28 A29 I35 T36	E28-T32 WeakPolarHBondContact O-CB 3.39Å; E28-T32 PolarHBondContact O-N 3.15Å; E28-T32 PolarHBondContact O-OG1 2.93Å; A29-T32 WeakPolarHBondContact O-CB 3.43Å; A29-T32 PolarHBondContact O-N 3.06Å; T32-I35 WeakPolarHBondContact O-CG2 3.32Å; T32-T36 WeakPolarHBondContact O-CB 3.19Å; T32-T36 PolarHBondContact O-N 2.83Å; T32-T36 PolarHBondContact O-OG1 2.83Å
33	Y	97.3	Very high	94.6	Very high	57 Å²	57	37.1 Å²	37.1	22%	0.224	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-47.7	175.9	-84.2	-89.1	0	0	0	111	A29 A30 F31 T36 A37 E96 N106 N110	A29-Y33 VanDerWaalsContact O-CD2 3.26Å; A29-Y33 WeakPolarHBondContact O-CD2 3.25Å; A29-Y33 PolarHBondContact O-N 2.82Å; A30-Y33 PolarHBondContact O-N 3.22Å; F31-Y33 VanDerWaalsContact C-N 3.35Å; F31-Y33 PolarHBondContact O-N 2.83Å; Y33-T36 PolarHBondContact O-N 3.29Å; Y33-A37 WeakPolarHBondContact O-CB 3.37Å; Y33-A37 PolarHBondContact O-N 3.15Å; Y33-E96 WeakPolarHBondContact CE1-OE1 3.32Å; Y33-N106 HydrophobicContact CD1-CB 3.9Å; Y33-N106 HydrophobicContact CE1-CB 3.83Å; Y33-N106 VanDerWaalsContact CE1-CG 3.43Å; Y33-N106 WeakPolarHBondContact CE1-ND2 3.34Å; Y33-N106 WeakPolarHBondContact CE2-OD1 3.23Å; Y33-N106 HydrophobicContact CG-CB 4.39Å; Y33-N106 VanDerWaalsContact CZ-CG 3.41Å; Y33-N106 PolarHBondContact OH-ND2 2.62Å; Y33-N106 VanDerWaalsContact OH-ND2 3.13Å; Y33-N110 VanDerWaalsContact CB-OD1 3.29Å; Y33-N110 WeakPolarHBondContact CB-OD1 3.39Å; Y33-N110 WeakPolarHBondContact CD1-OD1 3.5Å; Y33-N110 PolarHBondContact O-OD1 3.46Å
34	A	98.5	Very high	96.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-50.4	179.2	0	0	0	0	0	113.4	A30 F31 T36 A37 A38 N109 G113 L153 L193	A30-A34 PolarHBondContact O-N 2.91Å; A30-A34 VanDerWaalsContact O-N 3.12Å; F31-A34 PolarHBondContact O-N 3.2Å; A34-T36 VanDerWaalsContact C-N 3.31Å; A34-T36 PolarHBondContact O-N 3.42Å; A34-A37 PolarHBondContact O-N 2.99Å; A34-A38 WeakPolarHBondContact O-CB 3.04Å; A34-A38 PolarHBondContact O-N 3.41Å; A34-N109 WeakPolarHBondContact CA-O 3.06Å; A34-N109 WeakPolarHBondContact CB-O 3.19Å; A34-G113 WeakPolarHBondContact O-CA 3.45Å; A34-L153 HydrophobicContact CB-CD1 4.38Å; A34-L153 HydrophobicContact CB-CD2 4.09Å; A34-L193 HydrophobicContact CB-CD2 3.53Å
35	I	98.5	Very high	97.2	Very high	34 Å²	34	27.3 Å²	27.3	17%	0.174	15%	0.152	C	C	.	.	H	α-helix	trans	-67.3	-33.4	-178.9	-166.3	65.3	0	0	0	111.6	F31 T32 G39 F146 L153	F31-I35 HydrophobicContact CD1-CG2 4.32Å; F31-I35 HydrophobicContact CE1-CB 4.35Å; F31-I35 HydrophobicContact CE1-CG2 4.08Å; F31-I35 HydrophobicContact CZ-CB 4.31Å; F31-I35 HydrophobicContact CZ-CG1 4.47Å; F31-I35 VanDerWaalsContact O-CG2 3.3Å; F31-I35 WeakPolarHBondContact O-CG2 3.4Å; F31-I35 PolarHBondContact O-N 2.03Å; T32-I35 WeakPolarHBondContact O-CG2 3.32Å; I35-G39 WeakPolarHBondContact O-CA 3.26Å; I35-G39 PolarHBondContact O-N 3.27Å; I35-F146 HydrophobicContact CD1-CE1 3.81Å; I35-F146 HydrophobicContact CD1-CE2 4.37Å; I35-F146 HydrophobicContact CD1-CZ 3.51Å; I35-F146 HydrophobicContact CG1-CE1 4.21Å; I35-F146 HydrophobicContact CG1-CZ 4Å; I35-L153 HydrophobicContact CB-CD1 4.17Å; I35-L153 HydrophobicContact CD1-CD1 3.69Å
36	T	98.3	Very high	97.5	Very high	69 Å²	69	28.2 Å²	28.2	42%	0.423	16%	0.159	S	C	.	.	H	α-helix	trans	-69.1	-46.7	176.7	-57.4	0	0	0	0	110.8	T32 Y33 A34 A38 G39 V40	T32-T36 WeakPolarHBondContact O-CB 3.19Å; T32-T36 PolarHBondContact O-N 2.83Å; T32-T36 PolarHBondContact O-OG1 2.83Å; Y33-T36 PolarHBondContact O-N 3.29Å; A34-T36 VanDerWaalsContact C-N 3.31Å; A34-T36 PolarHBondContact O-N 3.42Å; T36-A38 PolarHBondContact O-N 2.79Å; T36-G39 PolarHBondContact O-N 3.09Å; T36-V40 WeakPolarHBondContact O-CG2 3.48Å; T36-V40 PolarHBondContact O-N 3.34Å
37	A	98.5	Very high	97.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.8	-42.5	177.9	0	0	0	0	0	112.2	Y33 A34 A41 S88 V92 N110 R114	Y33-A37 WeakPolarHBondContact O-CB 3.37Å; Y33-A37 PolarHBondContact O-N 3.15Å; A34-A37 PolarHBondContact O-N 2.99Å; A37-A41 PolarHBondContact O-N 3.01Å; A37-S88 PolarHBondContact O-OG 3.49Å; A37-V92 HydrophobicContact CB-CG1 4.42Å; A37-N110 HydrophobicContact CB-CB 3.8Å; A37-N110 WeakPolarHBondContact CB-O 3.47Å; A37-R114 HydrophobicContact CB-CG 4.29Å
38	A	98.7	Very high	97.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-43	173.1	0	0	0	0	0	111.8	A34 T36 A41 H42 G113 F146 I149 L153	A34-A38 WeakPolarHBondContact O-CB 3.04Å; A34-A38 PolarHBondContact O-N 3.41Å; T36-A38 PolarHBondContact O-N 2.79Å; A38-A41 PolarHBondContact O-N 3.28Å; A38-H42 VanDerWaalsContact O-CB 3.28Å; A38-H42 WeakPolarHBondContact O-CB 3.45Å; A38-H42 PolarHBondContact O-N 3.24Å; A38-G113 WeakPolarHBondContact CB-O 3.02Å; A38-F146 HydrophobicContact CB-CE2 4.34Å; A38-I149 HydrophobicContact CB-CG2 4.19Å; A38-L153 HydrophobicContact CB-CD1 4.33Å
39	G	98.6	Very high	97.8	Very high	20 Å²	20	25.1 Å²	25.1	21%	0.206	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-43.5	179.9	0	0	0	0	0	113	I35 T36 H42 A43 F146	I35-G39 WeakPolarHBondContact O-CA 3.26Å; I35-G39 PolarHBondContact O-N 3.27Å; T36-G39 PolarHBondContact O-N 3.09Å; G39-H42 PolarHBondContact O-N 2.02Å; G39-A43 VanDerWaalsContact O-CB 3.29Å; G39-A43 WeakPolarHBondContact O-CB 3.47Å; G39-A43 PolarHBondContact O-N 3.08Å; G39-F146 VanDerWaalsContact CA-CE2 3.46Å; G39-F146 VanDerWaalsContact CA-CZ 3.46Å
40	V	98.5	Very high	97.9	Very high	31 Å²	31	31.5 Å²	31.5	19%	0.188	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-47.8	174.6	172.8	0	0	0	0	110.7	T36 H42 A43 I44 F87 V92	T36-V40 WeakPolarHBondContact O-CG2 3.48Å; T36-V40 PolarHBondContact O-N 3.34Å; V40-H42 VanDerWaalsContact C-N 3.34Å; V40-H42 PolarHBondContact O-N 3.01Å; V40-A43 PolarHBondContact O-N 2.8Å; V40-I44 HydrophobicContact CG1-CG1 4.35Å; V40-I44 WeakPolarHBondContact O-CB 3.39Å; V40-I44 VanDerWaalsContact O-CG1 3.26Å; V40-I44 WeakPolarHBondContact O-CG1 3.46Å; V40-I44 PolarHBondContact O-N 2.95Å; V40-F87 HydrophobicContact CG1-CD1 3.94Å; V40-F87 HydrophobicContact CG1-CE1 4.14Å; V40-V92 HydrophobicContact CB-CG2 4.15Å; V40-V92 HydrophobicContact CG1-CG2 4.35Å; V40-V92 HydrophobicContact CG2-CG2 3.9Å
41	A	98.6	Very high	97.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-42.7	178.9	0	0	0	0	0	112	A37 A38 T45 G84 I85 L117	A37-A41 PolarHBondContact O-N 3.01Å; A38-A41 PolarHBondContact O-N 3.28Å; A41-T45 VanDerWaalsContact O-CB 3.27Å; A41-T45 WeakPolarHBondContact O-CB 3.34Å; A41-T45 PolarHBondContact O-N 3.45Å; A41-T45 PolarHBondContact O-OG1 3.48Å; A41-G84 WeakPolarHBondContact CA-O 3.05Å; A41-I85 HydrophobicContact CB-CG1 4.24Å; A41-L117 HydrophobicContact CB-CD2 3.76Å
42	H	98.6	Very high	97.7	Very high	32 Å²	32	37.4 Å²	37.4	15%	0.148	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-51.8	177.9	-175.9	-78	0	0	0	111.7	A38 G39 V40 I44 T45 A46 L117 L143 P144 F146	A38-H42 VanDerWaalsContact O-CB 3.28Å; A38-H42 WeakPolarHBondContact O-CB 3.45Å; A38-H42 PolarHBondContact O-N 3.24Å; G39-H42 PolarHBondContact O-N 2.02Å; V40-H42 VanDerWaalsContact C-N 3.34Å; V40-H42 PolarHBondContact O-N 3.01Å; H42-I44 PolarHBondContact O-N 3.19Å; H42-T45 PolarHBondContact O-N 3.49Å; H42-A46 WeakPolarHBondContact O-CB 3.23Å; H42-A46 PolarHBondContact O-N 2.81Å; H42-L117 HydrophobicContact CB-CD1 4.38Å; H42-L117 HydrophobicContact CB-CD2 3.89Å; H42-L143 WeakPolarHBondContact O-CD1 3Å; H42-P144 PolarHBondContact NE2-O 2.88Å; H42-F146 HydrophobicContact CB-CD2 3.92Å; H42-F146 HydrophobicContact CB-CE2 4.17Å; H42-F146 AromaticContact CD2-CD2 3.92Å; H42-F146 AromaticContact CG-CD2 3.75Å
43	A	98.4	Very high	97.6	Very high	56 Å²	56	37.2 Å²	37.2	46%	0.463	23%	0.227	S	C	.	.	H	α-helix	trans	-63.2	-42.7	-176.9	0	0	0	0	0	112.5	G39 V40 A46 A47	G39-A43 VanDerWaalsContact O-CB 3.29Å; G39-A43 WeakPolarHBondContact O-CB 3.47Å; G39-A43 PolarHBondContact O-N 3.08Å; V40-A43 PolarHBondContact O-N 2.8Å; A43-A46 PolarHBondContact O-N 3.49Å; A43-A47 WeakPolarHBondContact O-CB 3.07Å; A43-A47 PolarHBondContact O-N 2.03Å
44	I	98.1	Very high	97.4	Very high	32 Å²	32	40.5 Å²	40.5	16%	0.164	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-47.6	177.8	-65.7	-66.6	0	0	0	110.7	V40 H42 A46 A47 C48 L53 Y83 F87	V40-I44 HydrophobicContact CG1-CG1 4.35Å; V40-I44 WeakPolarHBondContact O-CB 3.39Å; V40-I44 VanDerWaalsContact O-CG1 3.26Å; V40-I44 WeakPolarHBondContact O-CG1 3.46Å; V40-I44 PolarHBondContact O-N 2.95Å; H42-I44 PolarHBondContact O-N 3.19Å; I44-A46 VanDerWaalsContact C-N 3.27Å; I44-A46 PolarHBondContact O-N 2.82Å; I44-A47 PolarHBondContact O-N 3.03Å; I44-C48 PolarHBondContact O-N 3.16Å; I44-C48 PolarHBondContact O-SG 3.05Å; I44-L53 HydrophobicContact CD1-CD1 4.45Å; I44-Y83 HydrophobicContact CG2-CD1 4.11Å; I44-Y83 HydrophobicContact CG2-CE1 3.94Å; I44-F87 HydrophobicContact CD1-CD1 4.13Å; I44-F87 HydrophobicContact CD1-CE1 3.89Å; I44-F87 HydrophobicContact CD1-CZ 4.2Å; I44-F87 HydrophobicContact CG1-CD1 3.67Å; I44-F87 HydrophobicContact CG1-CE1 3.88Å; I44-F87 HydrophobicContact CG1-CG 4.26Å; I44-F87 HydrophobicContact CG2-CB 4.25Å; I44-F87 HydrophobicContact CG2-CD1 4.46Å; I44-F87 HydrophobicContact CG2-CG 4.22Å
45	T	98.1	Very high	97.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.3	-42	177.4	-56.2	0	0	0	0	111.4	A41 H42 C48 S49 A79 D80 G84 L143	A41-T45 VanDerWaalsContact O-CB 3.27Å; A41-T45 WeakPolarHBondContact O-CB 3.34Å; A41-T45 PolarHBondContact O-N 3.45Å; A41-T45 PolarHBondContact O-OG1 3.48Å; H42-T45 PolarHBondContact O-N 3.49Å; T45-C48 PolarHBondContact O-N 2.02Å; T45-S49 WeakPolarHBondContact O-CB 3.06Å; T45-S49 PolarHBondContact O-N 3.47Å; T45-S49 PolarHBondContact O-OG 2.91Å; T45-A79 HydrophobicContact CG2-CB 3.85Å; T45-D80 WeakPolarHBondContact CG2-O 3.04Å; T45-G84 WeakPolarHBondContact OG1-CA 3.3Å; T45-L143 HydrophobicContact CG2-CD1 3.88Å; T45-L143 HydrophobicContact CG2-CD2 3.96Å; T45-L143 HydrophobicContact CG2-CG 4.05Å
46	A	97.7	Very high	96.9	Very high	20 Å²	20	48.1 Å²	48.1	17%	0.165	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-46	177.4	0	0	0	0	0	111.6	H42 A43 I44 C48 S49 Q50 L143	H42-A46 WeakPolarHBondContact O-CB 3.23Å; H42-A46 PolarHBondContact O-N 2.81Å; A43-A46 PolarHBondContact O-N 3.49Å; I44-A46 VanDerWaalsContact C-N 3.27Å; I44-A46 PolarHBondContact O-N 2.82Å; A46-C48 PolarHBondContact O-N 2.96Å; A46-S49 PolarHBondContact O-N 3.49Å; A46-Q50 WeakPolarHBondContact O-CB 3Å; A46-Q50 VanDerWaalsContact O-CG 3.26Å; A46-Q50 WeakPolarHBondContact O-CG 3.01Å; A46-Q50 PolarHBondContact O-N 2.91Å; A46-L143 HydrophobicContact CB-CD1 3.69Å
47	A	98	Very high	96.8	Very high	20 Å²	20	46.3 Å²	46.3	17%	0.165	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-39.9	178.8	0	0	0	0	0	112.4	A43 I44 Q50 G51 N52 L53	A43-A47 WeakPolarHBondContact O-CB 3.07Å; A43-A47 PolarHBondContact O-N 2.03Å; I44-A47 PolarHBondContact O-N 3.03Å; A47-Q50 PolarHBondContact O-N 3.19Å; A47-G51 PolarHBondContact O-N 3.33Å; A47-N52 HydrophobicContact CB-CB 4.38Å; A47-N52 PolarHBondContact O-N 3.37Å; A47-L53 HydrophobicContact CB-CD1 3.73Å; A47-L53 HydrophobicContact CB-CG 3.95Å
48	C	97.3	Very high	96.6	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.02	31%	0.307	C	S	.	.	H	α-helix	trans	-61.3	-46.2	173.3	-64	0	0	0	0	111.7	I44 T45 A46 Q50 G51 C56	I44-C48 PolarHBondContact O-N 3.16Å; I44-C48 PolarHBondContact O-SG 3.05Å; T45-C48 PolarHBondContact O-N 2.02Å; A46-C48 PolarHBondContact O-N 2.96Å; C48-Q50 VanDerWaalsContact C-N 3.26Å; C48-Q50 PolarHBondContact O-N 3.45Å; C48-G51 PolarHBondContact O-N 2.9Å; C48-G51 VanDerWaalsContact O-N 3.09Å; C48-C56 VanDerWaalsContact CA-SG 3.51Å; C48-C56 HydrophobicContact CB-CB 3.75Å; C48-C56 WeakPolarHBondContact CB-SG 3.29Å; C48-C56 WeakPolarHBondContact SG-CB 3.34Å; C48-C56 CovalentContact SG-SG 2.02Å; C48-C56 PolarHBondContact SG-SG 3.44Å
49	S	95.8	Very high	96.4	Very high	30 Å²	30	49.2 Å²	49.2	21%	0.21	31%	0.31	C	S	.	.	H	α-helix	trans	-68.5	-25.8	-178.5	-51.4	0	0	0	0	112.9	T45 A46 G51 C77 A79	T45-S49 WeakPolarHBondContact O-CB 3.06Å; T45-S49 PolarHBondContact O-N 3.47Å; T45-S49 PolarHBondContact O-OG 2.91Å; A46-S49 PolarHBondContact O-N 3.49Å; S49-G51 VanDerWaalsContact C-N 3.34Å; S49-C77 PolarHBondContact O-SG 2.95Å; S49-A79 VanDerWaalsContact OG-CA 3.32Å; S49-A79 WeakPolarHBondContact OG-CA 3.34Å; S49-A79 WeakPolarHBondContact OG-CB 3.39Å
50	Q	95.7	Very high	95.9	Very high	135 Å²	135	58 Å²	58	63%	0.631	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.7	175	-70.3	169.1	12.9	0	0	113.1	A46 A47 C48 N52	A46-Q50 WeakPolarHBondContact O-CB 3Å; A46-Q50 VanDerWaalsContact O-CG 3.26Å; A46-Q50 WeakPolarHBondContact O-CG 3.01Å; A46-Q50 PolarHBondContact O-N 2.91Å; A47-Q50 PolarHBondContact O-N 3.19Å; C48-Q50 VanDerWaalsContact C-N 3.26Å; C48-Q50 PolarHBondContact O-N 3.45Å; Q50-N52 VanDerWaalsContact C-N 3.29Å; Q50-N52 PolarHBondContact OE1-ND2 2.75Å; Q50-N52 VanDerWaalsContact OE1-ND2 3.15Å
51	G	95.1	Very high	95.4	Very high	60 Å²	60	63.3 Å²	63.3	62%	0.619	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	17.2	-174.8	0	0	0	0	0	114.2	A47 C48 S49 L53	A47-G51 PolarHBondContact O-N 3.33Å; C48-G51 PolarHBondContact O-N 2.9Å; C48-G51 VanDerWaalsContact O-N 3.09Å; S49-G51 VanDerWaalsContact C-N 3.34Å; G51-L53 PolarHBondContact O-N 3.06Å
52	N	96.9	Very high	94.6	Very high	114 Å²	114	66 Å²	66	61%	0.61	37%	0.371	S	S	*	.			trans	-75.9	-12.8	178	-70.2	-15.2	0	0	0	112.8	A47 Q50	A47-N52 HydrophobicContact CB-CB 4.38Å; A47-N52 PolarHBondContact O-N 3.37Å; Q50-N52 VanDerWaalsContact C-N 3.29Å; Q50-N52 PolarHBondContact OE1-ND2 2.75Å; Q50-N52 VanDerWaalsContact OE1-ND2 3.15Å
53	L	94.9	Very high	93.6	Very high	69 Å²	69	70.6 Å²	70.6	36%	0.361	39%	0.393	S	S	.	.			trans	-123.2	131.5	-179.3	-63.7	177.2	0	0	0	109.5	I44 A47 G51 C56	I44-L53 HydrophobicContact CD1-CD1 4.45Å; A47-L53 HydrophobicContact CB-CD1 3.73Å; A47-L53 HydrophobicContact CB-CG 3.95Å; G51-L53 PolarHBondContact O-N 3.06Å; L53-C56 VanDerWaalsContact CB-SG 3.57Å
54	S	92.9	Very high	92.4	Very high	125 Å²	125	69.9 Å²	69.9	87%	0.874	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-20	-178.1	54.3	0	0	0	0	114.2
55	Q	92	Very high	90.9	Very high	168 Å²	168	76.2 Å²	76.2	79%	0.785	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.4	-174	-60.8	-178.2	20.2	0	0	113.8
56	C	95.2	Very high	89.4	Confident	27 Å²	27	83.4 Å²	83.4	18%	0.182	44%	0.442	C	S	.	.			trans	-149.5	172.7	-177.3	56.9	0	0	0	0	110.4	C48 L53 Y83	C48-C56 VanDerWaalsContact CA-SG 3.51Å; C48-C56 HydrophobicContact CB-CB 3.75Å; C48-C56 WeakPolarHBondContact CB-SG 3.29Å; C48-C56 WeakPolarHBondContact SG-CB 3.34Å; C48-C56 CovalentContact SG-SG 2.02Å; C48-C56 PolarHBondContact SG-SG 3.44Å; L53-C56 VanDerWaalsContact CB-SG 3.57Å; C56-Y83 HydrophobicContact CB-CD1 3.87Å; C56-Y83 HydrophobicContact CB-CD2 4.35Å; C56-Y83 HydrophobicContact CB-CE1 3.51Å; C56-Y83 HydrophobicContact CB-CE2 4.01Å; C56-Y83 HydrophobicContact CB-CG 4.28Å
57	G	94.5	Very high	87.8	Confident	30 Å²	30	85.2 Å²	85.2	31%	0.309	45%	0.449	S	S	.	.			trans	-163.9	-152.5	-179.9	0	0	0	0	0	112.2
58	C	94.8	Very high	86.1	Confident	52 Å²	52	92.7 Å²	92.7	35%	0.351	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-71.3	152.8	175.3	-44.5	0	0	0	0	111.5	R60 C77 S78	C58-R60 PolarHBondContact O-N 3.22Å; C58-C77 HydrophobicContact CB-CB 4.02Å; C58-C77 WeakPolarHBondContact CB-SG 3.44Å; C58-C77 VanDerWaalsContact SG-CA 3.56Å; C58-C77 WeakPolarHBondContact SG-CB 3.49Å; C58-C77 CovalentContact SG-SG 2.02Å; C58-C77 PolarHBondContact SG-SG 2.9Å; C58-S78 CarbonylContact C-O 3.44Å; C58-S78 WeakPolarHBondContact CA-O 3.46Å
59	D	94	Very high	84.6	Confident	10 Å²	10	101.2 Å²	101.2	5%	0.053	52%	0.52	C	S	.	.			trans	-60.8	118.2	171.9	-176.6	-7.7	0	0	0	110.2	E61 K62 S78 D80	D59-E61 WeakPolarHBondContact OD1-CB 3.41Å; D59-E61 PolarHBondContact OD1-N 2.77Å; D59-K62 IonicContact OD2-NZ 2.67Å; D59-K62 PolarHBondContact OD2-NZ 2.91Å; D59-S78 WeakPolarHBondContact CB-O 3.4Å; D59-S78 PolarHBondContact N-O 3.25Å; D59-D80 HydrophobicContact CB-CB 4.05Å
60	R	89.2	Confident	83.2	Confident	205 Å²	205	105.2 Å²	105.2	77%	0.774	54%	0.535	S	S	*	.	S	Bend	trans	-86.7	-14.5	-177.2	-59.5	-178.6	70.9	170.7	2.5	112.9	C58 K62	C58-R60 PolarHBondContact O-N 3.22Å; R60-K62 VanDerWaalsContact C-N 3.27Å
61	E	87.5	Confident	82.2	Confident	142 Å²	142	100.6 Å²	100.6	66%	0.664	52%	0.523	S	S	*	.	S	Bend	trans	-73.6	-24.5	178.4	-60.8	179	170.3	0	0	111.2	D59 Q63 K82	D59-E61 WeakPolarHBondContact OD1-CB 3.41Å; D59-E61 PolarHBondContact OD1-N 2.77Å; E61-Q63 PolarHBondContact O-N 3.16Å; E61-K82 IonicContact OE1-NZ 3.02Å; E61-K82 PolarHBondContact OE1-NZ 3.43Å; E61-K82 IonicContact OE2-NZ 3.37Å; E61-K82 PolarHBondContact OE2-NZ 3.31Å
62	K	82.7	Confident	81.5	Confident	55 Å²	55	98.4 Å²	98.4	24%	0.239	50%	0.497	C	S	.	.	S	Bend	trans	-101.2	69.1	-177.6	-63	-171.9	-171	108.2	0	111.8	D59 R60 W74 T141	D59-K62 IonicContact OD2-NZ 2.67Å; D59-K62 PolarHBondContact OD2-NZ 2.91Å; R60-K62 VanDerWaalsContact C-N 3.27Å; K62-W74 HydrophobicContact CB-CD2 3.84Å; K62-W74 HydrophobicContact CB-CE3 3.91Å; K62-W74 HydrophobicContact CB-CG 4.26Å; K62-W74 HydrophobicContact CB-CZ3 4.31Å; K62-W74 HydrophobicContact CD-CE3 4.23Å; K62-W74 HydrophobicContact CD-CH2 3.68Å; K62-W74 HydrophobicContact CD-CZ2 4.04Å; K62-W74 HydrophobicContact CD-CZ3 3.78Å; K62-W74 HydrophobicContact CG-CD2 4.46Å; K62-W74 HydrophobicContact CG-CH2 4.37Å; K62-W74 HydrophobicContact CG-CZ2 4.27Å; K62-W74 HydrophobicContact CG-CZ3 4.48Å; K62-W74 WeakPolarHBondContact O-CB 3.32Å; K62-T141 HydrophobicContact CD-CG2 3.69Å; K62-T141 PolarHBondContact NZ-OG1 2.81Å
63	Q	77.1	Confident	81	Confident	129 Å²	129	96.7 Å²	96.7	60%	0.603	48%	0.484	S	S	*	.			trans	-132	146.1	179.3	-62.8	-175.8	-12.8	0	0	111.1	E61	E61-Q63 PolarHBondContact O-N 3.16Å
64	G	72.5	Confident	80.7	Confident	41 Å²	41	95 Å²	95	42%	0.423	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.6	-163.5	175.1	0	0	0	0	0	115.2	Y66 W74	G64-Y66 PolarHBondContact O-N 3.18Å; G64-W74 WeakPolarHBondContact O-CB 3.37Å; G64-W74 PolarHBondContact O-N 3.01Å
65	Y	66.4	Low	80.5	Confident	165 Å²	165	90 Å²	90	65%	0.647	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	123.8	179.8	-82.6	-85.1	0	0	0	110.4	K73	Y65-K73 HydrophobicContact CD1-CB 4.04Å; Y65-K73 HydrophobicContact CE1-CB 4.09Å; Y65-K73 HydrophobicContact CG-CB 4.39Å
66	Y	67.5	Low	80.3	Confident	151 Å²	151	85.5 Å²	85.5	59%	0.592	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	-47.6	176.4	-172.4	-112.8	0	0	0	111.4	G64 W72 W74	G64-Y66 PolarHBondContact O-N 3.18Å; Y66-W72 HydrophobicContact CD1-CH2 4.03Å; Y66-W72 AromaticContact CD1-CZ2 3.54Å; Y66-W72 HydrophobicContact CD1-CZ2 3.54Å; Y66-W72 HydrophobicContact CE1-CZ2 4.24Å; Y66-W72 HydrophobicContact CG-CH2 4.15Å; Y66-W72 HydrophobicContact CG-CZ2 4.1Å; Y66-W74 HydrophobicContact CD2-CZ2 4.31Å; Y66-W74 AromaticContact CD2-NE1 3.15Å; Y66-W74 AromaticContact CG-NE1 3.47Å
67	N	64.8	Low	80.3	Confident	58 Å²	58	86 Å²	86	31%	0.31	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	122.4	-178.9	-158.2	-9	0	0	0	110.5	E69 E70	N67-E69 VanDerWaalsContact C-N 3.27Å; N67-E69 PolarHBondContact O-N 3.44Å; N67-E70 HydrophobicContact CB-CB 4.4Å; N67-E70 HydrophobicContact CB-CG 4.36Å
68	Q	60.8	Low	80.3	Confident	178 Å²	178	84.6 Å²	84.6	83%	0.832	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-26.8	-178.8	-76.1	178.7	-10.4	0	0	112.2
69	E	66.6	Low	80.4	Confident	181 Å²	181	82.3 Å²	82.3	85%	0.846	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-29.2	-177.8	-62.9	-177.4	170.9	0	0	113.4	N67	N67-E69 VanDerWaalsContact C-N 3.27Å; N67-E69 PolarHBondContact O-N 3.44Å
70	E	67	Low	80.5	Confident	115 Å²	115	83.8 Å²	83.8	54%	0.537	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0.1	-177.3	-63.7	-170.6	157.2	0	0	114.1	N67 W72	N67-E70 HydrophobicContact CB-CB 4.4Å; N67-E70 HydrophobicContact CB-CG 4.36Å; E70-W72 VanDerWaalsContact C-N 3.27Å; E70-W72 PolarHBondContact O-N 2.84Å; E70-W72 PolarHBondContact OE2-NE1 3.01Å
71	G	73.8	Confident	80.9	Confident	37 Å²	37	74.6 Å²	74.6	38%	0.381	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	20	171.8	0	0	0	0	0	115.8
72	W	81.3	Confident	81.4	Confident	15 Å²	15	73.2 Å²	73.2	6%	0.057	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.2	177.7	75	-83.6	0	0	0	113.9	Y66 E70 W74 L123 K137 C139	Y66-W72 HydrophobicContact CD1-CH2 4.03Å; Y66-W72 AromaticContact CD1-CZ2 3.54Å; Y66-W72 HydrophobicContact CD1-CZ2 3.54Å; Y66-W72 HydrophobicContact CE1-CZ2 4.24Å; Y66-W72 HydrophobicContact CG-CH2 4.15Å; Y66-W72 HydrophobicContact CG-CZ2 4.1Å; E70-W72 VanDerWaalsContact C-N 3.27Å; E70-W72 PolarHBondContact O-N 2.84Å; E70-W72 PolarHBondContact OE2-NE1 3.01Å; W72-W74 HydrophobicContact CH2-CD2 4.06Å; W72-W74 AromaticContact CH2-CE2 3.7Å; W72-W74 HydrophobicContact CH2-CE3 4.29Å; W72-W74 AromaticContact CH2-CH2 3.83Å; W72-W74 HydrophobicContact CH2-CH2 3.83Å; W72-W74 AromaticContact CH2-CZ2 3.6Å; W72-W74 HydrophobicContact CH2-CZ2 3.6Å; W72-W74 HydrophobicContact CH2-CZ3 4.18Å; W72-W74 AromaticContact CZ3-CD2 3.76Å; W72-W74 HydrophobicContact CZ3-CD2 3.76Å; W72-W74 AromaticContact CZ3-CE2 3.9Å; W72-W74 AromaticContact CZ3-CE3 3.89Å; W72-W74 HydrophobicContact CZ3-CE3 3.89Å; W72-W74 HydrophobicContact CZ3-CG 4.27Å; W72-W74 HydrophobicContact CZ3-CH2 4.25Å; W72-W74 HydrophobicContact CZ3-CZ2 4.16Å; W72-W74 HydrophobicContact CZ3-CZ3 4.12Å; W72-L123 HydrophobicContact CH2-CD1 4.25Å; W72-L123 HydrophobicContact CH2-CD2 4.13Å; W72-L123 HydrophobicContact CZ2-CD2 4.23Å; W72-L123 HydrophobicContact CZ3-CD1 4.4Å; W72-K137 VanDerWaalsContact CA-O 3.32Å; W72-K137 WeakPolarHBondContact CA-O 3.41Å; W72-K137 HydrophobicContact CB-CD 4.09Å; W72-K137 VanDerWaalsContact CB-CE 3.49Å; W72-K137 HydrophobicContact CB-CG 3.37Å; W72-K137 WeakPolarHBondContact CB-O 3.47Å; W72-K137 HydrophobicContact CG-CG 4.39Å; W72-C139 HydrophobicContact CD2-CB 4.45Å; W72-C139 HydrophobicContact CE3-CB 3.52Å; W72-C139 HydrophobicContact CH2-CB 4.49Å; W72-C139 HydrophobicContact CZ3-CB 3.56Å
73	K	86.6	Confident	82.1	Confident	77 Å²	77	73.6 Å²	73.6	34%	0.335	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.8	-179.6	64.3	-177.4	-178.7	-179.1	0	111.3	Y65 K137 T138 C139	Y65-K73 HydrophobicContact CD1-CB 4.04Å; Y65-K73 HydrophobicContact CE1-CB 4.09Å; Y65-K73 HydrophobicContact CG-CB 4.39Å; K73-K137 PolarHBondContact N-O 3.19Å; K73-T138 VanDerWaalsContact CE-OG1 3.25Å; K73-T138 WeakPolarHBondContact CE-OG1 3.11Å; K73-T138 HydrophobicContact CG-CG2 4.35Å; K73-T138 WeakPolarHBondContact O-CA 3.46Å; K73-C139 PolarHBondContact O-N 3.33Å
74	W	88.5	Confident	83	Confident	33 Å²	33	67.5 Å²	67.5	13%	0.125	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	137.9	164	-68.3	112.4	0	0	0	109.9	K62 G64 Y66 W72 L123 C139 T141	K62-W74 HydrophobicContact CB-CD2 3.84Å; K62-W74 HydrophobicContact CB-CE3 3.91Å; K62-W74 HydrophobicContact CB-CG 4.26Å; K62-W74 HydrophobicContact CB-CZ3 4.31Å; K62-W74 HydrophobicContact CD-CE3 4.23Å; K62-W74 HydrophobicContact CD-CH2 3.68Å; K62-W74 HydrophobicContact CD-CZ2 4.04Å; K62-W74 HydrophobicContact CD-CZ3 3.78Å; K62-W74 HydrophobicContact CG-CD2 4.46Å; K62-W74 HydrophobicContact CG-CH2 4.37Å; K62-W74 HydrophobicContact CG-CZ2 4.27Å; K62-W74 HydrophobicContact CG-CZ3 4.48Å; K62-W74 WeakPolarHBondContact O-CB 3.32Å; G64-W74 WeakPolarHBondContact O-CB 3.37Å; G64-W74 PolarHBondContact O-N 3.01Å; Y66-W74 HydrophobicContact CD2-CZ2 4.31Å; Y66-W74 AromaticContact CD2-NE1 3.15Å; Y66-W74 AromaticContact CG-NE1 3.47Å; W72-W74 HydrophobicContact CH2-CD2 4.06Å; W72-W74 AromaticContact CH2-CE2 3.7Å; W72-W74 HydrophobicContact CH2-CE3 4.29Å; W72-W74 AromaticContact CH2-CH2 3.83Å; W72-W74 HydrophobicContact CH2-CH2 3.83Å; W72-W74 AromaticContact CH2-CZ2 3.6Å; W72-W74 HydrophobicContact CH2-CZ2 3.6Å; W72-W74 HydrophobicContact CH2-CZ3 4.18Å; W72-W74 AromaticContact CZ3-CD2 3.76Å; W72-W74 HydrophobicContact CZ3-CD2 3.76Å; W72-W74 AromaticContact CZ3-CE2 3.9Å; W72-W74 AromaticContact CZ3-CE3 3.89Å; W72-W74 HydrophobicContact CZ3-CE3 3.89Å; W72-W74 HydrophobicContact CZ3-CG 4.27Å; W72-W74 HydrophobicContact CZ3-CH2 4.25Å; W72-W74 HydrophobicContact CZ3-CZ2 4.16Å; W72-W74 HydrophobicContact CZ3-CZ3 4.12Å; W74-L123 HydrophobicContact CE3-CD1 4.48Å; W74-L123 HydrophobicContact CH2-CD1 3.6Å; W74-L123 HydrophobicContact CZ3-CD1 3.43Å; W74-L123 VanDerWaalsContact CZ3-CD1 3.43Å; W74-C139 WeakPolarHBondContact CA-O 3.29Å; W74-T141 HydrophobicContact CH2-CG2 3.94Å; W74-T141 HydrophobicContact CZ3-CG2 3.92Å
75	G	87.6	Confident	84.3	Confident	21 Å²	21	65.7 Å²	65.7	22%	0.216	33%	0.332	C	S	.	.			trans	-173	179.7	171.5	0	0	0	0	0	110.9	C139 W140	G75-C139 PolarHBondContact N-O 3.17Å; G75-C139 VanDerWaalsContact N-O 3.08Å; G75-C139 VanDerWaalsContact O-O 3.14Å; G75-W140 WeakPolarHBondContact O-CB 3.27Å
76	G	88.8	Confident	85.8	Confident	73 Å²	73	62 Å²	62	75%	0.753	32%	0.32	S	S	*	.	S	Bend	trans	72.1	-155.2	-168.6	0	0	0	0	0	111.9
77	C	93.6	Very high	87.2	Confident	37 Å²	37	58.4 Å²	58.4	25%	0.25	31%	0.308	C	S	.	.			trans	-110.6	98.2	179.8	-176	0	0	0	0	109.9	S49 C58 A79	S49-C77 PolarHBondContact O-SG 2.95Å; C58-C77 HydrophobicContact CB-CB 4.02Å; C58-C77 WeakPolarHBondContact CB-SG 3.44Å; C58-C77 VanDerWaalsContact SG-CA 3.56Å; C58-C77 WeakPolarHBondContact SG-CB 3.49Å; C58-C77 CovalentContact SG-SG 2.02Å; C58-C77 PolarHBondContact SG-SG 2.9Å; C77-A79 PolarHBondContact O-N 2.84Å
78	S	95.7	Very high	88.8	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.014	29%	0.293	C	S	.	.			trans	-69.1	128.4	169.6	-74.8	0	0	0	0	109.5	C58 D59 D80 T141	C58-S78 CarbonylContact C-O 3.44Å; C58-S78 WeakPolarHBondContact CA-O 3.46Å; D59-S78 WeakPolarHBondContact CB-O 3.4Å; D59-S78 PolarHBondContact N-O 3.25Å; S78-D80 PolarHBondContact O-N 2.98Å; S78-T141 CarbonylContact C-O 3.55Å; S78-T141 WeakPolarHBondContact CA-O 3.42Å; S78-T141 WeakPolarHBondContact CB-OG1 3.45Å; S78-T141 PolarHBondContact OG-N 3.32Å
79	A	96.4	Very high	90.6	Very high	4 Å²	4	52 Å²	52	3%	0.033	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-69.2	124.4	178.3	0	0	0	0	0	111.8	T45 S49 C77 I81 M121 T141 L143	T45-A79 HydrophobicContact CG2-CB 3.85Å; S49-A79 VanDerWaalsContact OG-CA 3.32Å; S49-A79 WeakPolarHBondContact OG-CA 3.34Å; S49-A79 WeakPolarHBondContact OG-CB 3.39Å; C77-A79 PolarHBondContact O-N 2.84Å; A79-I81 PolarHBondContact O-N 3.06Å; A79-I81 VanDerWaalsContact O-N 3.16Å; A79-M121 HydrophobicContact CB-CE 3.88Å; A79-T141 PolarHBondContact N-O 2.82Å; A79-L143 HydrophobicContact CB-CG 4.35Å
80	D	96.8	Very high	92	Very high	40 Å²	40	51.7 Å²	51.7	21%	0.214	26%	0.263	C	S	.	.			trans	-84.3	84.1	177.7	-173.4	-5.3	0	0	0	111.4	T45 D59 S78 K82 Y83 G84	T45-D80 WeakPolarHBondContact CG2-O 3.04Å; D59-D80 HydrophobicContact CB-CB 4.05Å; S78-D80 PolarHBondContact O-N 2.98Å; D80-K82 VanDerWaalsContact C-N 3.26Å; D80-K82 PolarHBondContact O-N 3.19Å; D80-K82 WeakPolarHBondContact OD1-CB 3.39Å; D80-K82 PolarHBondContact OD1-N 3.02Å; D80-K82 VanDerWaalsContact OD1-N 3.13Å; D80-Y83 PolarHBondContact OD1-N 3.26Å; D80-Y83 VanDerWaalsContact OD1-N 3.12Å; D80-G84 PolarHBondContact O-N 2.85Å
81	I	97.1	Very high	93.4	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.067	27%	0.266	C	S	.	.	H	α-helix	trans	-67.1	-27	178.5	-172.1	53.3	0	0	0	112.9	A79 Y83 G84 I85 L117 M121 L143	A79-I81 PolarHBondContact O-N 3.06Å; A79-I81 VanDerWaalsContact O-N 3.16Å; I81-Y83 VanDerWaalsContact C-N 3.34Å; I81-Y83 PolarHBondContact O-N 2.79Å; I81-G84 PolarHBondContact O-N 3.44Å; I81-I85 HydrophobicContact CD1-CD1 4.24Å; I81-I85 HydrophobicContact CD1-CG1 4.07Å; I81-I85 HydrophobicContact CG1-CD1 3.82Å; I81-I85 HydrophobicContact CG1-CG1 4.13Å; I81-I85 WeakPolarHBondContact O-CB 3.39Å; I81-I85 WeakPolarHBondContact O-CG1 3.37Å; I81-I85 PolarHBondContact O-N 2.92Å; I81-L117 HydrophobicContact CD1-CD2 3.6Å; I81-L117 HydrophobicContact CD1-CG 3.82Å; I81-M121 HydrophobicContact CB-CE 4Å; I81-M121 HydrophobicContact CB-CG 4.3Å; I81-M121 HydrophobicContact CB-SD 3.9Å; I81-M121 HydrophobicContact CD1-SD 4.45Å; I81-M121 HydrophobicContact CG1-CG 4.36Å; I81-M121 HydrophobicContact CG1-SD 4.06Å; I81-M121 HydrophobicContact CG2-CE 4.26Å; I81-M121 HydrophobicContact CG2-CG 4.13Å; I81-M121 HydrophobicContact CG2-SD 4.34Å; I81-L143 HydrophobicContact CD1-CD2 4.15Å
82	K	96.9	Very high	94.5	Very high	113 Å²	113	51.8 Å²	51.8	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-63.6	-45.6	-179.7	-64.9	174.5	179.5	171.5	0	109.6	E61 D80 G84 I85 E86	E61-K82 IonicContact OE1-NZ 3.02Å; E61-K82 PolarHBondContact OE1-NZ 3.43Å; E61-K82 IonicContact OE2-NZ 3.37Å; E61-K82 PolarHBondContact OE2-NZ 3.31Å; D80-K82 VanDerWaalsContact C-N 3.26Å; D80-K82 PolarHBondContact O-N 3.19Å; D80-K82 WeakPolarHBondContact OD1-CB 3.39Å; D80-K82 PolarHBondContact OD1-N 3.02Å; D80-K82 VanDerWaalsContact OD1-N 3.13Å; K82-G84 PolarHBondContact O-N 2.78Å; K82-I85 PolarHBondContact O-N 3.15Å; K82-E86 WeakPolarHBondContact O-CB 3.22Å; K82-E86 PolarHBondContact O-N 3.23Å
83	Y	97.1	Very high	95.2	Very high	63 Å²	63	52.7 Å²	52.7	25%	0.247	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-47.8	175.2	-176.8	-88.8	0	0	0	112.1	I44 C56 D80 I81 I85 E86 F87	I44-Y83 HydrophobicContact CG2-CD1 4.11Å; I44-Y83 HydrophobicContact CG2-CE1 3.94Å; C56-Y83 HydrophobicContact CB-CD1 3.87Å; C56-Y83 HydrophobicContact CB-CD2 4.35Å; C56-Y83 HydrophobicContact CB-CE1 3.51Å; C56-Y83 HydrophobicContact CB-CE2 4.01Å; C56-Y83 HydrophobicContact CB-CG 4.28Å; D80-Y83 PolarHBondContact OD1-N 3.26Å; D80-Y83 VanDerWaalsContact OD1-N 3.12Å; I81-Y83 VanDerWaalsContact C-N 3.34Å; I81-Y83 PolarHBondContact O-N 2.79Å; Y83-I85 PolarHBondContact O-N 2.67Å; Y83-E86 PolarHBondContact O-N 2.93Å; Y83-F87 PolarHBondContact O-N 3.44Å
84	G	97.8	Very high	95.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-39.4	179.5	0	0	0	0	0	113.7	A41 T45 D80 I81 K82 F87 S88	A41-G84 WeakPolarHBondContact CA-O 3.05Å; T45-G84 WeakPolarHBondContact OG1-CA 3.3Å; D80-G84 PolarHBondContact O-N 2.85Å; I81-G84 PolarHBondContact O-N 3.44Å; K82-G84 PolarHBondContact O-N 2.78Å; G84-F87 PolarHBondContact O-N 2.84Å; G84-S88 WeakPolarHBondContact O-CB 3.31Å; G84-S88 PolarHBondContact O-N 2.95Å
85	I	98.3	Very high	95.5	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-43.9	174.8	-74.7	176.8	0	0	0	110.8	A41 I81 K82 Y83 S88 R89 R114 E118	A41-I85 HydrophobicContact CB-CG1 4.24Å; I81-I85 HydrophobicContact CD1-CD1 4.24Å; I81-I85 HydrophobicContact CD1-CG1 4.07Å; I81-I85 HydrophobicContact CG1-CD1 3.82Å; I81-I85 HydrophobicContact CG1-CG1 4.13Å; I81-I85 WeakPolarHBondContact O-CB 3.39Å; I81-I85 WeakPolarHBondContact O-CG1 3.37Å; I81-I85 PolarHBondContact O-N 2.92Å; K82-I85 PolarHBondContact O-N 3.15Å; Y83-I85 PolarHBondContact O-N 2.67Å; I85-S88 PolarHBondContact O-N 3.3Å; I85-R89 VanDerWaalsContact CG2-CZ 3.49Å; I85-R89 PolarHBondContact O-N 3.12Å; I85-R114 HydrophobicContact CD1-CB 4.4Å; I85-R114 HydrophobicContact CG1-CB 4.16Å; I85-R114 HydrophobicContact CG2-CB 4.33Å; I85-E118 HydrophobicContact CD1-CB 3.8Å; I85-E118 HydrophobicContact CD1-CG 4.08Å
86	E	97.9	Very high	95.7	Very high	87 Å²	87	60.8 Å²	60.8	41%	0.407	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-43.5	177.6	-177.7	171.5	-154.8	0	0	111.9	K82 Y83 S88 R89 R90	K82-E86 WeakPolarHBondContact O-CB 3.22Å; K82-E86 PolarHBondContact O-N 3.23Å; Y83-E86 PolarHBondContact O-N 2.93Å; E86-S88 VanDerWaalsContact C-N 3.34Å; E86-S88 PolarHBondContact O-N 3.5Å; E86-R89 WeakPolarHBondContact O-CB 3.49Å; E86-R89 PolarHBondContact O-N 2.82Å; E86-R90 WeakPolarHBondContact O-CG 3.5Å; E86-R90 PolarHBondContact O-N 3.43Å; E86-R90 IonicContact OE1-CZ 2.93Å; E86-R90 IonicContact OE1-NE 3.36Å; E86-R90 IonicContact OE1-NH2 2.74Å; E86-R90 PolarHBondContact OE1-NH2 3.41Å; E86-R90 IonicContact OE2-NH2 2.69Å
87	F	98	Very high	95.6	Very high	75 Å²	75	63.8 Å²	63.8	33%	0.329	29%	0.292	S	S	.	.	H	α-helix	trans	-59.6	-46.8	173.5	-174.6	-82.2	0	0	0	111	V40 I44 Y83 G84 R89 R90 F91	V40-F87 HydrophobicContact CG1-CD1 3.94Å; V40-F87 HydrophobicContact CG1-CE1 4.14Å; I44-F87 HydrophobicContact CD1-CD1 4.13Å; I44-F87 HydrophobicContact CD1-CE1 3.89Å; I44-F87 HydrophobicContact CD1-CZ 4.2Å; I44-F87 HydrophobicContact CG1-CD1 3.67Å; I44-F87 HydrophobicContact CG1-CE1 3.88Å; I44-F87 HydrophobicContact CG1-CG 4.26Å; I44-F87 HydrophobicContact CG2-CB 4.25Å; I44-F87 HydrophobicContact CG2-CD1 4.46Å; I44-F87 HydrophobicContact CG2-CG 4.22Å; Y83-F87 PolarHBondContact O-N 3.44Å; G84-F87 PolarHBondContact O-N 2.84Å; F87-R89 VanDerWaalsContact C-N 3.32Å; F87-R89 PolarHBondContact O-N 3.33Å; F87-R90 PolarHBondContact O-N 3.17Å; F87-F91 HydrophobicContact CD1-CB 4.24Å; F87-F91 HydrophobicContact CE1-CB 3.93Å; F87-F91 HydrophobicContact CE1-CD2 4.47Å; F87-F91 HydrophobicContact CE1-CG 4.15Å; F87-F91 VanDerWaalsContact O-CB 3.32Å; F87-F91 WeakPolarHBondContact O-CB 3.26Å; F87-F91 PolarHBondContact O-N 2.86Å
88	S	98.3	Very high	95.2	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-39.5	177.2	177.5	0	0	0	0	112.3	A37 G84 I85 E86 V92 R114	A37-S88 PolarHBondContact O-OG 3.49Å; G84-S88 WeakPolarHBondContact O-CB 3.31Å; G84-S88 PolarHBondContact O-N 2.95Å; I85-S88 PolarHBondContact O-N 3.3Å; E86-S88 VanDerWaalsContact C-N 3.34Å; E86-S88 PolarHBondContact O-N 3.5Å; S88-V92 VanDerWaalsContact O-CB 3.22Å; S88-V92 WeakPolarHBondContact O-CB 3.31Å; S88-V92 WeakPolarHBondContact O-CG2 3.43Å; S88-V92 PolarHBondContact O-N 3.48Å; S88-R114 VanDerWaalsContact C-NH2 3.35Å; S88-R114 PolarHBondContact O-NH2 2.93Å; S88-R114 PolarHBondContact OG-NE 2.67Å
89	R	97.9	Very high	94.6	Very high	102 Å²	102	76.9 Å²	76.9	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-57.9	-56.4	171.4	-80.1	172.9	-172.2	149.7	2.2	110.9	I85 E86 F87 F91 D93 E111 R114	I85-R89 VanDerWaalsContact CG2-CZ 3.49Å; I85-R89 PolarHBondContact O-N 3.12Å; E86-R89 WeakPolarHBondContact O-CB 3.49Å; E86-R89 PolarHBondContact O-N 2.82Å; F87-R89 VanDerWaalsContact C-N 3.32Å; F87-R89 PolarHBondContact O-N 3.33Å; R89-F91 VanDerWaalsContact C-N 3.3Å; R89-F91 PolarHBondContact O-N 2.89Å; R89-D93 WeakPolarHBondContact O-CB 3.5Å; R89-D93 PolarHBondContact O-N 3.48Å; R89-D93 VanDerWaalsContact O-N 3.11Å; R89-E111 IonicContact CZ-OE1 3.44Å; R89-E111 IonicContact CZ-OE2 2.7Å; R89-E111 IonicContact NE-OE1 2.77Å; R89-E111 IonicContact NE-OE2 2.75Å; R89-E111 PolarHBondContact NE-OE2 3.4Å; R89-E111 IonicContact NH2-OE1 3.1Å; R89-E111 PolarHBondContact NH2-OE1 3.13Å; R89-E111 IonicContact NH2-OE2 3.94Å; R89-E111 PolarHBondContact NH2-OE2 3.48Å; R89-R114 VanDerWaalsContact CA-NH2 3.33Å; R89-R114 VanDerWaalsContact CG-CZ 3.44Å
90	R	97.1	Very high	94.2	Very high	175 Å²	175	79.2 Å²	79.2	66%	0.66	36%	0.358	S	S	*	.	H	α-helix	trans	-61.8	-36.7	-177.4	-66.1	175.6	-171.7	-178.3	1	112.7	E86 F87 A94	E86-R90 WeakPolarHBondContact O-CG 3.5Å; E86-R90 PolarHBondContact O-N 3.43Å; E86-R90 IonicContact OE1-CZ 2.93Å; E86-R90 IonicContact OE1-NE 3.36Å; E86-R90 IonicContact OE1-NH2 2.74Å; E86-R90 PolarHBondContact OE1-NH2 3.41Å; E86-R90 IonicContact OE2-NH2 2.69Å; F87-R90 PolarHBondContact O-N 3.17Å; R90-A94 VanDerWaalsContact O-CB 3.24Å; R90-A94 WeakPolarHBondContact O-CB 3.45Å
91	F	96.6	Very high	93.8	Very high	135 Å²	135	78.6 Å²	78.6	59%	0.592	36%	0.356	S	S	*	.	H	α-helix	trans	-86.7	-51.3	-174.9	-174	-97.9	0	0	0	113.3	F87 R89	F87-F91 HydrophobicContact CD1-CB 4.24Å; F87-F91 HydrophobicContact CE1-CB 3.93Å; F87-F91 HydrophobicContact CE1-CD2 4.47Å; F87-F91 HydrophobicContact CE1-CG 4.15Å; F87-F91 VanDerWaalsContact O-CB 3.32Å; F87-F91 WeakPolarHBondContact O-CB 3.26Å; F87-F91 PolarHBondContact O-N 2.86Å; R89-F91 VanDerWaalsContact C-N 3.3Å; R89-F91 PolarHBondContact O-N 2.89Å
92	V	96.4	Very high	93.5	Very high	18 Å²	18	79.9 Å²	79.9	11%	0.109	36%	0.36	C	S	.	.	H	α-helix	trans	-76.5	-39.3	-174.4	-176.5	0	0	0	0	110.8	A37 V40 S88 A94	A37-V92 HydrophobicContact CB-CG1 4.42Å; V40-V92 HydrophobicContact CB-CG2 4.15Å; V40-V92 HydrophobicContact CG1-CG2 4.35Å; V40-V92 HydrophobicContact CG2-CG2 3.9Å; S88-V92 VanDerWaalsContact O-CB 3.22Å; S88-V92 WeakPolarHBondContact O-CB 3.31Å; S88-V92 WeakPolarHBondContact O-CG2 3.43Å; S88-V92 PolarHBondContact O-N 3.48Å; V92-A94 VanDerWaalsContact C-N 3.32Å; V92-A94 PolarHBondContact O-N 2.74Å
93	D	96	Very high	93.3	Very high	34 Å²	34	78.5 Å²	78.5	18%	0.182	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-79.6	-15.4	-177.1	-54.8	-18.4	0	0	0	112.4	R89 R95 E96 L107 N110 R114	R89-D93 WeakPolarHBondContact O-CB 3.5Å; R89-D93 PolarHBondContact O-N 3.48Å; R89-D93 VanDerWaalsContact O-N 3.11Å; D93-R95 PolarHBondContact O-N 3.25Å; D93-R95 VanDerWaalsContact O-N 3.08Å; D93-E96 WeakPolarHBondContact O-CB 3.28Å; D93-E96 PolarHBondContact O-N 2.93Å; D93-L107 HydrophobicContact CB-CD2 3.63Å; D93-N110 PolarHBondContact OD1-ND2 3.27Å; D93-R114 IonicContact OD1-CZ 3.85Å; D93-R114 IonicContact OD1-NH1 3.62Å; D93-R114 IonicContact OD1-NH2 3.78Å; D93-R114 PolarHBondContact OD1-NH2 3.29Å; D93-R114 IonicContact OD2-CZ 3.66Å; D93-R114 IonicContact OD2-NH1 2.68Å; D93-R114 PolarHBondContact OD2-NH1 3.16Å; D93-R114 IonicContact OD2-NH2 2.62Å; D93-R114 PolarHBondContact OD2-NH2 2.87Å; D93-R114 VanDerWaalsContact OD2-NH2 3.1Å
94	A	93.5	Very high	93.1	Very high	60 Å²	60	77.3 Å²	77.3	50%	0.496	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-58.6	-23.6	177.5	0	0	0	0	0	113.5	R90 V92 E96 I97	R90-A94 VanDerWaalsContact O-CB 3.24Å; R90-A94 WeakPolarHBondContact O-CB 3.45Å; V92-A94 VanDerWaalsContact C-N 3.32Å; V92-A94 PolarHBondContact O-N 2.74Å; A94-E96 VanDerWaalsContact C-N 3.31Å; A94-I97 VanDerWaalsContact O-CG1 3.26Å; A94-I97 WeakPolarHBondContact O-CG1 3.34Å
95	R	88.4	Confident	93	Very high	216 Å²	216	77.3 Å²	77.3	82%	0.815	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-78.4	-16.1	176.7	-61	-175.9	71.1	-179.6	2	112.9	D93 I97	D93-R95 PolarHBondContact O-N 3.25Å; D93-R95 VanDerWaalsContact O-N 3.08Å; R95-I97 VanDerWaalsContact C-N 3.3Å; R95-I97 PolarHBondContact O-N 2.77Å; R95-I97 VanDerWaalsContact O-N 3.08Å
96	E	90.6	Very high	92.9	Very high	25 Å²	25	77.1 Å²	77.1	12%	0.117	35%	0.349	C	S	.	.			trans	-88.8	57.1	-175.2	-59.8	-56.7	141.6	0	0	112.6	Y33 D93 A94 R103 N106 L107	Y33-E96 WeakPolarHBondContact CE1-OE1 3.32Å; D93-E96 WeakPolarHBondContact O-CB 3.28Å; D93-E96 PolarHBondContact O-N 2.93Å; A94-E96 VanDerWaalsContact C-N 3.31Å; E96-R103 HydrophobicContact CB-CG 4.16Å; E96-R103 WeakPolarHBondContact O-CD 3.41Å; E96-R103 PolarHBondContact O-NE 2.69Å; E96-N106 HydrophobicContact CG-CB 4.12Å; E96-N106 PolarHBondContact OE1-ND2 2.76Å; E96-N106 WeakPolarHBondContact OE2-CB 3.43Å; E96-N106 PolarHBondContact OE2-ND2 3.01Å; E96-L107 HydrophobicContact CB-CD2 4.09Å; E96-L107 HydrophobicContact CB-CG 4.34Å; E96-L107 HydrophobicContact CG-CD2 4.26Å
97	I	86.3	Confident	92.8	Very high	137 Å²	137	75.1 Å²	75.1	70%	0.703	34%	0.341	S	S	*	.			trans	-84.1	-41.7	-173.4	-52.5	175.8	0	0	0	111.9	A94 R95 K99	A94-I97 VanDerWaalsContact O-CG1 3.26Å; A94-I97 WeakPolarHBondContact O-CG1 3.34Å; R95-I97 VanDerWaalsContact C-N 3.3Å; R95-I97 PolarHBondContact O-N 2.77Å; R95-I97 VanDerWaalsContact O-N 3.08Å; I97-K99 PolarHBondContact O-N 2.04Å
98	K	85.7	Confident	92.7	Very high	169 Å²	169	74.2 Å²	74.2	74%	0.735	34%	0.337	S	S	*	.	S	Bend	trans	-70.4	131.9	-172.5	-63.4	-175.2	178.4	-179.7	0	110.6	T100 R103	K98-T100 HydrophobicContact CB-CG2 3.88Å; K98-T100 PolarHBondContact O-N 3.02Å; K98-R103 WeakPolarHBondContact O-CB 3.44Å; K98-R103 WeakPolarHBondContact O-CD 3.27Å
99	K	83.6	Confident	92.7	Very high	145 Å²	145	74.2 Å²	74.2	63%	0.63	34%	0.337	S	S	*	.			trans	-71.1	61.8	174.6	-66	-175	178.2	-178	0	112.3	I97 P174	I97-K99 PolarHBondContact O-N 2.04Å; K99-P174 WeakPolarHBondContact O-CG 3.44Å
100	T	88.3	Confident	92.7	Very high	53 Å²	53	69.4 Å²	69.4	33%	0.325	32%	0.319	S	S	.	.			trans	-104.1	157.7	178.1	63.1	0	0	0	0	110	K98 R102 R103	K98-T100 HydrophobicContact CB-CG2 3.88Å; K98-T100 PolarHBondContact O-N 3.02Å; T100-R102 PolarHBondContact O-N 3.21Å; T100-R103 WeakPolarHBondContact O-CB 3.47Å; T100-R103 PolarHBondContact O-N 3.42Å; T100-R103 VanDerWaalsContact O-N 3.14Å; T100-R103 PolarHBondContact OG1-N 3.41Å
101	P	88.8	Confident	92.8	Very high	27 Å²	27	63.3 Å²	63.3	18%	0.175	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-30.7	173.9	-15.9	27	0	0	0	113	R103 L104 M105 V165 P174 I196	P101-R103 VanDerWaalsContact C-N 3.29Å; P101-R103 PolarHBondContact O-N 3.17Å; P101-L104 WeakPolarHBondContact O-CB 3.33Å; P101-L104 PolarHBondContact O-N 3.27Å; P101-L104 VanDerWaalsContact O-N 3.15Å; P101-M105 PolarHBondContact O-N 3.4Å; P101-V165 HydrophobicContact CB-CB 4.01Å; P101-V165 HydrophobicContact CB-CG1 3.59Å; P101-V165 HydrophobicContact CB-CG2 3.25Å; P101-V165 HydrophobicContact CG-CB 4.39Å; P101-V165 HydrophobicContact CG-CG1 3.81Å; P101-V165 HydrophobicContact CG-CG2 3.97Å; P101-P174 HydrophobicContact CB-CB 4.22Å; P101-P174 HydrophobicContact CG-CB 4.04Å; P101-P174 HydrophobicContact CG-CG 4.29Å; P101-I196 HydrophobicContact CB-CD1 4.44Å
102	R	90.6	Very high	92.9	Very high	39 Å²	39	56.9 Å²	56.9	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-57.5	-40.1	173.6	-171.9	-170.2	177.1	90.5	22	112.4	A22 N23 R24 T100 L104 M105 N106 I196	A22-R102 PolarHBondContact O-NH1 2.96Å; A22-R102 PolarHBondContact O-NH2 3.19Å; N23-R102 PolarHBondContact O-NH1 3.16Å; R24-R102 VanDerWaalsContact N-NH1 3.19Å; R24-R102 PolarHBondContact O-NH1 3.04Å; R24-R102 PolarHBondContact O-NH2 3.49Å; T100-R102 PolarHBondContact O-N 3.21Å; R102-L104 VanDerWaalsContact C-N 3.28Å; R102-L104 PolarHBondContact O-N 2.84Å; R102-M105 HydrophobicContact CG-CE 4.28Å; R102-M105 WeakPolarHBondContact O-CB 3.17Å; R102-M105 PolarHBondContact O-N 3.31Å; R102-M105 VanDerWaalsContact O-N 3.13Å; R102-N106 WeakPolarHBondContact O-CB 3.27Å; R102-N106 VanDerWaalsContact O-CG 3.31Å; R102-N106 PolarHBondContact O-N 3.45Å; R102-I196 HydrophobicContact CB-CD1 4.49Å
103	R	92.8	Very high	93	Very high	85 Å²	85	56 Å²	56	32%	0.321	27%	0.265	S	S	.	.	H	α-helix	trans	-55.8	-43.5	175.3	162.7	176.5	-175.6	-95.6	-2.7	111.8	E96 K98 T100 P101 M105 N106 L107	E96-R103 HydrophobicContact CB-CG 4.16Å; E96-R103 WeakPolarHBondContact O-CD 3.41Å; E96-R103 PolarHBondContact O-NE 2.69Å; K98-R103 WeakPolarHBondContact O-CB 3.44Å; K98-R103 WeakPolarHBondContact O-CD 3.27Å; T100-R103 WeakPolarHBondContact O-CB 3.47Å; T100-R103 PolarHBondContact O-N 3.42Å; T100-R103 VanDerWaalsContact O-N 3.14Å; T100-R103 PolarHBondContact OG1-N 3.41Å; P101-R103 VanDerWaalsContact C-N 3.29Å; P101-R103 PolarHBondContact O-N 3.17Å; R103-M105 VanDerWaalsContact C-N 3.32Å; R103-M105 PolarHBondContact O-N 3.46Å; R103-N106 PolarHBondContact O-N 3.15Å; R103-L107 HydrophobicContact CG-CD1 3.8Å; R103-L107 HydrophobicContact CG-CG 4.3Å; R103-L107 WeakPolarHBondContact O-CB 3.31Å; R103-L107 VanDerWaalsContact O-CG 3.27Å; R103-L107 WeakPolarHBondContact O-CG 3.17Å; R103-L107 PolarHBondContact O-N 3.38Å
104	L	93.3	Very high	93.1	Very high	37 Å²	37	54.4 Å²	54.4	19%	0.194	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-42	178.8	-61.7	175.4	0	0	0	111.3	P101 R102 H108 P174 L177	P101-L104 WeakPolarHBondContact O-CB 3.33Å; P101-L104 PolarHBondContact O-N 3.27Å; P101-L104 VanDerWaalsContact O-N 3.15Å; R102-L104 VanDerWaalsContact C-N 3.28Å; R102-L104 PolarHBondContact O-N 2.84Å; L104-H108 WeakPolarHBondContact O-CB 3.42Å; L104-H108 PolarHBondContact O-N 2.87Å; L104-H108 VanDerWaalsContact O-N 3.1Å; L104-P174 HydrophobicContact CD1-CB 4.14Å; L104-L177 HydrophobicContact CB-CD1 3.95Å; L104-L177 HydrophobicContact CB-CD2 4.2Å; L104-L177 HydrophobicContact CB-CG 3.94Å; L104-L177 HydrophobicContact CD1-CD2 4.33Å; L104-L177 HydrophobicContact CD1-CG 4.39Å
105	M	95.1	Very high	93.3	Very high	0 Å²	0	54 Å²	54	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-47.6	176.5	-177	-158.1	75	0	0	111.2	P101 R102 R103 H108 N109 L177 V194 I196	P101-M105 PolarHBondContact O-N 3.4Å; R102-M105 HydrophobicContact CG-CE 4.28Å; R102-M105 WeakPolarHBondContact O-CB 3.17Å; R102-M105 PolarHBondContact O-N 3.31Å; R102-M105 VanDerWaalsContact O-N 3.13Å; R103-M105 VanDerWaalsContact C-N 3.32Å; R103-M105 PolarHBondContact O-N 3.46Å; M105-H108 PolarHBondContact O-N 2.59Å; M105-N109 WeakPolarHBondContact CG-ND2 3.29Å; M105-N109 WeakPolarHBondContact O-CB 3.35Å; M105-N109 PolarHBondContact O-N 3.13Å; M105-N109 PolarHBondContact O-ND2 3.02Å; M105-L177 HydrophobicContact CB-CD1 4.31Å; M105-V194 HydrophobicContact CG-CG2 4.18Å; M105-V194 VanDerWaalsContact CG-O 3.3Å; M105-V194 WeakPolarHBondContact CG-O 3.37Å; M105-I196 HydrophobicContact CB-CG2 4.44Å; M105-I196 HydrophobicContact SD-CG1 3.89Å
106	N	95.8	Very high	93.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-48.4	-179.8	-73.7	-5.4	0	0	0	111.4	Y33 E96 R102 R103 H108 N109 N110	Y33-N106 HydrophobicContact CD1-CB 3.9Å; Y33-N106 HydrophobicContact CE1-CB 3.83Å; Y33-N106 VanDerWaalsContact CE1-CG 3.43Å; Y33-N106 WeakPolarHBondContact CE1-ND2 3.34Å; Y33-N106 WeakPolarHBondContact CE2-OD1 3.23Å; Y33-N106 HydrophobicContact CG-CB 4.39Å; Y33-N106 VanDerWaalsContact CZ-CG 3.41Å; Y33-N106 PolarHBondContact OH-ND2 2.62Å; Y33-N106 VanDerWaalsContact OH-ND2 3.13Å; E96-N106 HydrophobicContact CG-CB 4.12Å; E96-N106 PolarHBondContact OE1-ND2 2.76Å; E96-N106 WeakPolarHBondContact OE2-CB 3.43Å; E96-N106 PolarHBondContact OE2-ND2 3.01Å; R102-N106 WeakPolarHBondContact O-CB 3.27Å; R102-N106 VanDerWaalsContact O-CG 3.31Å; R102-N106 PolarHBondContact O-N 3.45Å; R103-N106 PolarHBondContact O-N 3.15Å; N106-H108 PolarHBondContact O-N 3.31Å; N106-N109 PolarHBondContact O-N 2.86Å; N106-N110 WeakPolarHBondContact O-CB 3.39Å; N106-N110 PolarHBondContact O-N 3.39Å; N106-N110 PolarHBondContact O-ND2 3.29Å; N106-N110 PolarHBondContact O-OD1 2.73Å
107	L	96	Very high	94.2	Very high	45 Å²	45	42.7 Å²	42.7	24%	0.236	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-42.9	178.5	-69.8	174.4	0	0	0	112.3	D93 E96 R103 E111	D93-L107 HydrophobicContact CB-CD2 3.63Å; E96-L107 HydrophobicContact CB-CD2 4.09Å; E96-L107 HydrophobicContact CB-CG 4.34Å; E96-L107 HydrophobicContact CG-CD2 4.26Å; R103-L107 HydrophobicContact CG-CD1 3.8Å; R103-L107 HydrophobicContact CG-CG 4.3Å; R103-L107 WeakPolarHBondContact O-CB 3.31Å; R103-L107 VanDerWaalsContact O-CG 3.27Å; R103-L107 WeakPolarHBondContact O-CG 3.17Å; R103-L107 PolarHBondContact O-N 3.38Å; L107-E111 WeakPolarHBondContact O-CB 3.44Å; L107-E111 PolarHBondContact O-N 2.64Å
108	H	96.4	Very high	94.7	Very high	56 Å²	56	39.1 Å²	39.1	26%	0.259	18%	0.18	S	C	.	.	H	α-helix	trans	-58.9	-50.9	175.1	178.2	95.1	0	0	0	111.2	L104 M105 N106 N110 E111 A112 D192 V194	L104-H108 WeakPolarHBondContact O-CB 3.42Å; L104-H108 PolarHBondContact O-N 2.87Å; L104-H108 VanDerWaalsContact O-N 3.1Å; M105-H108 PolarHBondContact O-N 2.59Å; N106-H108 PolarHBondContact O-N 3.31Å; H108-N110 PolarHBondContact O-N 3.49Å; H108-E111 PolarHBondContact O-N 3.06Å; H108-A112 PolarHBondContact O-N 3.37Å; H108-D192 PolarHBondContact CD2-O 3.48Å; H108-D192 PolarHBondContact NE2-O 3.28Å; H108-V194 HydrophobicContact CB-CG2 4.16Å; H108-V194 VanDerWaalsContact CD2-CG2 3.49Å; H108-V194 WeakPolarHBondContact CD2-CG2 3.05Å
109	N	98	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.5	-35.8	-176.9	-68.8	-39.5	0	0	0	112.6	A30 A34 M105 N106 E111 A112 G113 L193 V194	A30-N109 VanDerWaalsContact CA-ND2 3.34Å; A30-N109 WeakPolarHBondContact CA-ND2 3.35Å; A30-N109 WeakPolarHBondContact CB-ND2 3.44Å; A34-N109 WeakPolarHBondContact CA-O 3.06Å; A34-N109 WeakPolarHBondContact CB-O 3.19Å; M105-N109 WeakPolarHBondContact CG-ND2 3.29Å; M105-N109 WeakPolarHBondContact O-CB 3.35Å; M105-N109 PolarHBondContact O-N 3.13Å; M105-N109 PolarHBondContact O-ND2 3.02Å; N106-N109 PolarHBondContact O-N 2.86Å; N109-E111 VanDerWaalsContact C-N 3.31Å; N109-E111 PolarHBondContact O-N 2.93Å; N109-A112 PolarHBondContact O-N 2.91Å; N109-G113 PolarHBondContact O-N 3.22Å; N109-L193 HydrophobicContact CB-CD2 4.29Å; N109-L193 WeakPolarHBondContact OD1-CA 3.42Å; N109-V194 PolarHBondContact ND2-O 3.24Å; N109-V194 PolarHBondContact OD1-N 3.11Å; N109-V194 PolarHBondContact OD1-O 3.2Å
110	N	98.3	Very high	95.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58	-46.8	171.8	-74.4	-13.7	0	0	0	110.8	Y33 A37 D93 N106 H108 G113 R114	Y33-N110 VanDerWaalsContact CB-OD1 3.29Å; Y33-N110 WeakPolarHBondContact CB-OD1 3.39Å; Y33-N110 WeakPolarHBondContact CD1-OD1 3.5Å; Y33-N110 PolarHBondContact O-OD1 3.46Å; A37-N110 HydrophobicContact CB-CB 3.8Å; A37-N110 WeakPolarHBondContact CB-O 3.47Å; D93-N110 PolarHBondContact OD1-ND2 3.27Å; N106-N110 WeakPolarHBondContact O-CB 3.39Å; N106-N110 PolarHBondContact O-N 3.39Å; N106-N110 PolarHBondContact O-ND2 3.29Å; N106-N110 PolarHBondContact O-OD1 2.73Å; H108-N110 PolarHBondContact O-N 3.49Å; N110-G113 PolarHBondContact O-N 2.91Å; N110-R114 WeakPolarHBondContact O-CG 3.38Å; N110-R114 PolarHBondContact O-N 2.98Å; N110-R114 VanDerWaalsContact O-N 3.12Å
111	E	98.3	Very high	96.3	Very high	48 Å²	48	32.8 Å²	32.8	22%	0.224	15%	0.148	C	C	.	.	H	α-helix	trans	-67.4	-39.9	179	-168.5	56.2	-152	0	0	112	R89 L107 H108 N109 G113 R114 K115	R89-E111 IonicContact CZ-OE1 3.44Å; R89-E111 IonicContact CZ-OE2 2.7Å; R89-E111 IonicContact NE-OE1 2.77Å; R89-E111 IonicContact NE-OE2 2.75Å; R89-E111 PolarHBondContact NE-OE2 3.4Å; R89-E111 IonicContact NH2-OE1 3.1Å; R89-E111 PolarHBondContact NH2-OE1 3.13Å; R89-E111 IonicContact NH2-OE2 3.94Å; R89-E111 PolarHBondContact NH2-OE2 3.48Å; L107-E111 WeakPolarHBondContact O-CB 3.44Å; L107-E111 PolarHBondContact O-N 2.64Å; H108-E111 PolarHBondContact O-N 3.06Å; N109-E111 VanDerWaalsContact C-N 3.31Å; N109-E111 PolarHBondContact O-N 2.93Å; E111-G113 VanDerWaalsContact C-N 3.28Å; E111-G113 PolarHBondContact O-N 2.74Å; E111-R114 PolarHBondContact O-N 2.96Å; E111-R114 VanDerWaalsContact O-N 3.12Å; E111-R114 IonicContact OE2-NH1 3.5Å; E111-R114 PolarHBondContact OE2-NH1 3.44Å; E111-K115 WeakPolarHBondContact O-CB 3.33Å; E111-K115 PolarHBondContact O-N 3.14Å
112	A	98.4	Very high	96.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.5	-43.1	173.9	0	0	0	0	0	112	H108 N109 K115 V116 E190 L193	H108-A112 PolarHBondContact O-N 3.37Å; N109-A112 PolarHBondContact O-N 2.91Å; A112-K115 PolarHBondContact O-N 2.86Å; A112-V116 VanDerWaalsContact O-CG2 3.3Å; A112-V116 WeakPolarHBondContact O-CG2 3.43Å; A112-V116 PolarHBondContact O-N 3.42Å; A112-E190 WeakPolarHBondContact CA-O 3.46Å; A112-E190 WeakPolarHBondContact CB-O 3.25Å; A112-L193 HydrophobicContact CB-CD2 3.99Å
113	G	98.6	Very high	96.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-47.3	173.9	0	0	0	0	0	113.2	A34 A38 N109 N110 E111 K115 L117	A34-G113 WeakPolarHBondContact O-CA 3.45Å; A38-G113 WeakPolarHBondContact CB-O 3.02Å; N109-G113 PolarHBondContact O-N 3.22Å; N110-G113 PolarHBondContact O-N 2.91Å; E111-G113 VanDerWaalsContact C-N 3.28Å; E111-G113 PolarHBondContact O-N 2.74Å; G113-K115 VanDerWaalsContact C-N 3.34Å; G113-K115 PolarHBondContact O-N 2.98Å; G113-L117 PolarHBondContact O-N 2.96Å
114	R	98.7	Very high	96.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-40.3	177.5	-67	177	-159.8	128.1	1.2	111.7	A37 I85 S88 R89 D93 N110 E111 L117 E118	A37-R114 HydrophobicContact CB-CG 4.29Å; I85-R114 HydrophobicContact CD1-CB 4.4Å; I85-R114 HydrophobicContact CG1-CB 4.16Å; I85-R114 HydrophobicContact CG2-CB 4.33Å; S88-R114 VanDerWaalsContact C-NH2 3.35Å; S88-R114 PolarHBondContact O-NH2 2.93Å; S88-R114 PolarHBondContact OG-NE 2.67Å; R89-R114 VanDerWaalsContact CA-NH2 3.33Å; R89-R114 VanDerWaalsContact CG-CZ 3.44Å; D93-R114 IonicContact OD1-CZ 3.85Å; D93-R114 IonicContact OD1-NH1 3.62Å; D93-R114 IonicContact OD1-NH2 3.78Å; D93-R114 PolarHBondContact OD1-NH2 3.29Å; D93-R114 IonicContact OD2-CZ 3.66Å; D93-R114 IonicContact OD2-NH1 2.68Å; D93-R114 PolarHBondContact OD2-NH1 3.16Å; D93-R114 IonicContact OD2-NH2 2.62Å; D93-R114 PolarHBondContact OD2-NH2 2.87Å; D93-R114 VanDerWaalsContact OD2-NH2 3.1Å; N110-R114 WeakPolarHBondContact O-CG 3.38Å; N110-R114 PolarHBondContact O-N 2.98Å; N110-R114 VanDerWaalsContact O-N 3.12Å; E111-R114 PolarHBondContact O-N 2.96Å; E111-R114 VanDerWaalsContact O-N 3.12Å; E111-R114 IonicContact OE2-NH1 3.5Å; E111-R114 PolarHBondContact OE2-NH1 3.44Å; R114-L117 WeakPolarHBondContact O-CB 3.35Å; R114-L117 PolarHBondContact O-N 3.39Å; R114-E118 PolarHBondContact O-N 2.86Å
115	K	98.4	Very high	96.6	Very high	50 Å²	50	39.1 Å²	39.1	22%	0.217	19%	0.187	C	C	.	.	H	α-helix	trans	-67.6	-42.9	-179.6	-165	71	-173.8	168.9	0	112.3	E111 A112 G113 L117 E118 E119 T191	E111-K115 WeakPolarHBondContact O-CB 3.33Å; E111-K115 PolarHBondContact O-N 3.14Å; A112-K115 PolarHBondContact O-N 2.86Å; G113-K115 VanDerWaalsContact C-N 3.34Å; G113-K115 PolarHBondContact O-N 2.98Å; K115-L117 PolarHBondContact O-N 3.38Å; K115-E118 WeakPolarHBondContact CD-OE2 3.32Å; K115-E118 IonicContact NZ-OE2 2.71Å; K115-E118 PolarHBondContact NZ-OE2 3.22Å; K115-E118 PolarHBondContact O-N 3.5Å; K115-E119 HydrophobicContact CG-CG 4.49Å; K115-E119 WeakPolarHBondContact O-CB 3.42Å; K115-E119 WeakPolarHBondContact O-CG 3.42Å; K115-E119 PolarHBondContact O-N 2.94Å; K115-T191 HydrophobicContact CB-CG2 4.05Å; K115-T191 HydrophobicContact CG-CG2 3.73Å
116	V	98.3	Very high	96.5	Very high	4 Å²	4	45 Å²	45	2%	0.024	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-39.2	173.5	168.4	0	0	0	0	111.2	A112 R120 I149 I152 L153 T191	A112-V116 VanDerWaalsContact O-CG2 3.3Å; A112-V116 WeakPolarHBondContact O-CG2 3.43Å; A112-V116 PolarHBondContact O-N 3.42Å; V116-R120 WeakPolarHBondContact O-CB 3.22Å; V116-R120 WeakPolarHBondContact O-CG 3.35Å; V116-I149 HydrophobicContact CG1-CD1 4.28Å; V116-I149 HydrophobicContact CG1-CG2 4.32Å; V116-I152 HydrophobicContact CG1-CB 4.14Å; V116-I152 HydrophobicContact CG1-CG2 3.65Å; V116-I152 HydrophobicContact CG2-CG2 4.46Å; V116-L153 HydrophobicContact CB-CD2 4.28Å; V116-L153 HydrophobicContact CG1-CD2 4.4Å; V116-L153 HydrophobicContact CG1-CG 4.4Å; V116-L153 HydrophobicContact CG2-CD2 4.04Å; V116-T191 HydrophobicContact CG2-CG2 4.01Å
117	L	98.3	Very high	96.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-47	175.2	175.7	63.5	0	0	0	112.1	A41 H42 I81 G113 R114 K115 E119 R120 M121 L143 P144 I149	A41-L117 HydrophobicContact CB-CD2 3.76Å; H42-L117 HydrophobicContact CB-CD1 4.38Å; H42-L117 HydrophobicContact CB-CD2 3.89Å; I81-L117 HydrophobicContact CD1-CD2 3.6Å; I81-L117 HydrophobicContact CD1-CG 3.82Å; G113-L117 PolarHBondContact O-N 2.96Å; R114-L117 WeakPolarHBondContact O-CB 3.35Å; R114-L117 PolarHBondContact O-N 3.39Å; K115-L117 PolarHBondContact O-N 3.38Å; L117-E119 PolarHBondContact O-N 2.81Å; L117-R120 PolarHBondContact O-N 2.99Å; L117-R120 VanDerWaalsContact O-N 3.17Å; L117-M121 PolarHBondContact O-N 3.27Å; L117-L143 HydrophobicContact CD1-CD2 4.08Å; L117-P144 HydrophobicContact CD1-CG 4.01Å; L117-I149 HydrophobicContact CD1-CD1 4.18Å; L117-I149 HydrophobicContact CD1-CG1 4.1Å
118	E	97.6	Very high	96	Very high	63 Å²	63	49.6 Å²	49.6	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-57	-47.3	179.1	-167.7	179.1	-137	0	0	111.9	I85 R114 K115 R120 M121	I85-E118 HydrophobicContact CD1-CB 3.8Å; I85-E118 HydrophobicContact CD1-CG 4.08Å; R114-E118 PolarHBondContact O-N 2.86Å; K115-E118 WeakPolarHBondContact CD-OE2 3.32Å; K115-E118 IonicContact NZ-OE2 2.71Å; K115-E118 PolarHBondContact NZ-OE2 3.22Å; K115-E118 PolarHBondContact O-N 3.5Å; E118-R120 PolarHBondContact O-N 3.19Å; E118-R120 VanDerWaalsContact O-N 3.17Å; E118-M121 WeakPolarHBondContact O-CG 3.44Å; E118-M121 PolarHBondContact O-N 3.27Å
119	E	97.1	Very high	95.6	Very high	95 Å²	95	47.6 Å²	47.6	44%	0.444	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-5.5	-179.2	-69.5	179.8	-174.4	0	0	114.2	K115 L117	K115-E119 HydrophobicContact CG-CG 4.49Å; K115-E119 WeakPolarHBondContact O-CB 3.42Å; K115-E119 WeakPolarHBondContact O-CG 3.42Å; K115-E119 PolarHBondContact O-N 2.94Å; L117-E119 PolarHBondContact O-N 2.81Å
120	R	97.3	Very high	95.3	Very high	95 Å²	95	53.7 Å²	53.7	36%	0.358	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	11.6	-177.8	-64.3	-66.3	179.8	-84.2	-4	113.1	V116 L117 E118 P144 I149 I152	V116-R120 WeakPolarHBondContact O-CB 3.22Å; V116-R120 WeakPolarHBondContact O-CG 3.35Å; L117-R120 PolarHBondContact O-N 2.99Å; L117-R120 VanDerWaalsContact O-N 3.17Å; E118-R120 PolarHBondContact O-N 3.19Å; E118-R120 VanDerWaalsContact O-N 3.17Å; R120-P144 HydrophobicContact CB-CG 4.05Å; R120-P144 WeakPolarHBondContact O-CB 3.28Å; R120-P144 WeakPolarHBondContact O-CD 3.48Å; R120-P144 WeakPolarHBondContact O-CG 3.4Å; R120-I149 HydrophobicContact CB-CD1 3.85Å; R120-I149 HydrophobicContact CG-CD1 4.18Å; R120-I152 HydrophobicContact CG-CD1 3.9Å
121	M	95.9	Very high	94.9	Very high	43 Å²	43	59.9 Å²	59.9	21%	0.212	31%	0.311	C	S	.	.			trans	-57.1	137.9	166.5	-67	-65.1	-70.3	0	0	110.1	A79 I81 L117 E118 L143	A79-M121 HydrophobicContact CB-CE 3.88Å; I81-M121 HydrophobicContact CB-CE 4Å; I81-M121 HydrophobicContact CB-CG 4.3Å; I81-M121 HydrophobicContact CB-SD 3.9Å; I81-M121 HydrophobicContact CD1-SD 4.45Å; I81-M121 HydrophobicContact CG1-CG 4.36Å; I81-M121 HydrophobicContact CG1-SD 4.06Å; I81-M121 HydrophobicContact CG2-CE 4.26Å; I81-M121 HydrophobicContact CG2-CG 4.13Å; I81-M121 HydrophobicContact CG2-SD 4.34Å; L117-M121 PolarHBondContact O-N 3.27Å; E118-M121 WeakPolarHBondContact O-CG 3.44Å; E118-M121 PolarHBondContact O-N 3.27Å; M121-L143 HydrophobicContact CE-CD2 4.44Å; M121-L143 HydrophobicContact SD-CD2 3.71Å; M121-L143 HydrophobicContact SD-CG 4.36Å
122	K	95.3	Very high	94.4	Very high	83 Å²	83	60.3 Å²	60.3	36%	0.361	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	143.2	-175.1	-61.5	-173.6	179	-178.1	0	110.5	T141 T142 E148	K122-T141 CarbonylContact O-C 3.59Å; K122-T141 VanDerWaalsContact O-CA 3.31Å; K122-T141 WeakPolarHBondContact O-CA 3.42Å; K122-T142 HydrophobicContact CB-CG2 3.95Å; K122-T142 PolarHBondContact N-O 2.98Å; K122-T142 PolarHBondContact O-N 3.08Å; K122-E148 WeakPolarHBondContact CE-OE1 3.45Å; K122-E148 IonicContact NZ-OE1 3.96Å; K122-E148 PolarHBondContact NZ-OE1 3.23Å; K122-E148 IonicContact NZ-OE2 3.62Å; K122-E148 PolarHBondContact NZ-OE2 2.74Å
123	L	92.4	Very high	94	Very high	88 Å²	88	62.4 Å²	62.4	46%	0.461	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	114.9	167.2	-173.3	69.1	0	0	0	108.2	W72 W74 C139 T141	W72-L123 HydrophobicContact CH2-CD1 4.25Å; W72-L123 HydrophobicContact CH2-CD2 4.13Å; W72-L123 HydrophobicContact CZ2-CD2 4.23Å; W72-L123 HydrophobicContact CZ3-CD1 4.4Å; W74-L123 HydrophobicContact CE3-CD1 4.48Å; W74-L123 HydrophobicContact CH2-CD1 3.6Å; W74-L123 HydrophobicContact CZ3-CD1 3.43Å; W74-L123 VanDerWaalsContact CZ3-CD1 3.43Å; L123-C139 HydrophobicContact CD1-CB 3.72Å; L123-C139 HydrophobicContact CD2-CB 4.42Å; L123-C139 HydrophobicContact CG-CB 4.01Å; L123-T141 HydrophobicContact CD1-CG2 4.43Å
124	E	93.4	Very high	93.6	Very high	95 Å²	95	66.3 Å²	66.3	44%	0.444	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.1	171.4	-80.2	-175.4	176.6	0	0	109.7	C139 W140 T142	E124-C139 CarbonylContact O-C 3.57Å; E124-C139 WeakPolarHBondContact O-CA 3.3Å; E124-C139 VanDerWaalsContact O-CB 3.23Å; E124-C139 WeakPolarHBondContact O-CB 3.47Å; E124-W140 PolarHBondContact N-O 3.25Å; E124-W140 PolarHBondContact O-N 3.21Å; E124-T142 HydrophobicContact CB-CG2 4.31Å; E124-T142 VanDerWaalsContact CD-CG2 3.43Å; E124-T142 HydrophobicContact CG-CG2 3.6Å
125	C	92.3	Very high	93	Very high	56 Å²	56	71.3 Å²	71.3	38%	0.378	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142	-178.5	-60.8	0	0	0	0	110.6	K137 T138 C139	C125-K137 HydrophobicContact CB-CD 4.22Å; C125-T138 CarbonylContact C-O 3.58Å; C125-T138 WeakPolarHBondContact CA-O 3.36Å; C125-C139 HydrophobicContact CB-CB 4Å; C125-C139 WeakPolarHBondContact CB-SG 3.3Å; C125-C139 WeakPolarHBondContact SG-CB 3.07Å; C125-C139 CovalentContact SG-SG 2.03Å; C125-C139 PolarHBondContact SG-SG 2.94Å
126	K	92.6	Very high	92.4	Very high	124 Å²	124	72 Å²	72	54%	0.539	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.3	168.4	-174.9	173.6	176.8	179.6	0	110.4	H128 K137 T138 W140	K126-H128 VanDerWaalsContact CD-CE1 3.43Å; K126-H128 WeakPolarHBondContact CD-CE1 3.44Å; K126-H128 PolarHBondContact O-CD2 3.08Å; K126-K137 CarbonylContact O-C 3.5Å; K126-K137 VanDerWaalsContact O-CA 3.23Å; K126-K137 WeakPolarHBondContact O-CA 3.33Å; K126-K137 WeakPolarHBondContact O-CB 3.2Å; K126-T138 PolarHBondContact N-O 2.04Å; K126-T138 PolarHBondContact O-N 3.33Å; K126-W140 HydrophobicContact CB-CH2 3.7Å; K126-W140 HydrophobicContact CB-CZ3 4Å
127	C	92	Very high	92	Very high	40 Å²	40	75.1 Å²	75.1	27%	0.27	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.6	178.6	-60.6	0	0	0	0	110.5	C134	C127-C134 HydrophobicContact CB-CB 3.85Å; C127-C134 WeakPolarHBondContact CB-SG 3.41Å; C127-C134 VanDerWaalsContact SG-CA 3.55Å; C127-C134 WeakPolarHBondContact SG-CB 3.07Å; C127-C134 CovalentContact SG-SG 2.03Å; C127-C134 PolarHBondContact SG-SG 2.97Å
128	H	88.9	Confident	91.7	Very high	102 Å²	102	76 Å²	76	47%	0.472	43%	0.427	S	S	.	.			trans	-134.2	15.7	-174.8	-58.6	-80.9	0	0	0	113.1	K126 T136	K126-H128 VanDerWaalsContact CD-CE1 3.43Å; K126-H128 WeakPolarHBondContact CD-CE1 3.44Å; K126-H128 PolarHBondContact O-CD2 3.08Å; H128-T136 PolarHBondContact N-O 3.48Å
129	G	87.3	Confident	91.4	Very high	14 Å²	14	73 Å²	73	14%	0.144	41%	0.413	C	S	.	.	S	Bend	trans	-70.9	169.1	175.4	0	0	0	0	0	112.5	S131 G132 S133	G129-S131 PolarHBondContact O-N 2.72Å; G129-G132 PolarHBondContact O-N 2.99Å; G129-S133 VanDerWaalsContact C-OG 3.25Å; G129-S133 WeakPolarHBondContact CA-O 3.44Å; G129-S133 WeakPolarHBondContact CA-OG 3.02Å; G129-S133 PolarHBondContact N-O 2.91Å; G129-S133 PolarHBondContact O-N 3.41Å
130	V	92.5	Very high	91.3	Very high	128 Å²	128	71.4 Å²	71.4	78%	0.776	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-51.4	132.8	178.5	-177.7	0	0	0	0	109.7	G132 S133	V130-G132 PolarHBondContact O-N 3.03Å; V130-S133 PolarHBondContact N-OG 3.36Å; V130-S133 WeakPolarHBondContact O-CB 3.33Å; V130-S133 PolarHBondContact O-N 3.31Å; V130-S133 VanDerWaalsContact O-N 3.15Å; V130-S133 PolarHBondContact O-OG 2.79Å
131	S	89.9	Confident	91.2	Very high	130 Å²	130	67.6 Å²	67.6	91%	0.909	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	56	26.8	-176.5	-54.4	0	0	0	0	115.3	G129	G129-S131 PolarHBondContact O-N 2.72Å
132	G	87.2	Confident	91.2	Very high	56 Å²	56	67.1 Å²	67.1	58%	0.577	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	82.9	12.7	179.8	0	0	0	0	0	114.4	G129 V130	G129-G132 PolarHBondContact O-N 2.99Å; V130-G132 PolarHBondContact O-N 3.03Å
133	S	89.8	Confident	91.3	Very high	45 Å²	45	64.3 Å²	64.3	32%	0.315	38%	0.378	S	S	.	.			trans	-64.5	154.5	175	57.7	0	0	0	0	112.7	G129 V130	G129-S133 VanDerWaalsContact C-OG 3.25Å; G129-S133 WeakPolarHBondContact CA-O 3.44Å; G129-S133 WeakPolarHBondContact CA-OG 3.02Å; G129-S133 PolarHBondContact N-O 2.91Å; G129-S133 PolarHBondContact O-N 3.41Å; V130-S133 PolarHBondContact N-OG 3.36Å; V130-S133 WeakPolarHBondContact O-CB 3.33Å; V130-S133 PolarHBondContact O-N 3.31Å; V130-S133 VanDerWaalsContact O-N 3.15Å; V130-S133 PolarHBondContact O-OG 2.79Å
134	C	89.5	Confident	91.6	Very high	81 Å²	81	60.3 Å²	60.3	55%	0.547	36%	0.357	S	S	.	.	S	Bend	trans	-94.9	20.8	-179.6	-66.3	0	0	0	0	114.3	C127 T136	C127-C134 HydrophobicContact CB-CB 3.85Å; C127-C134 WeakPolarHBondContact CB-SG 3.41Å; C127-C134 VanDerWaalsContact SG-CA 3.55Å; C127-C134 WeakPolarHBondContact SG-CB 3.07Å; C127-C134 CovalentContact SG-SG 2.03Å; C127-C134 PolarHBondContact SG-SG 2.97Å; C134-T136 PolarHBondContact O-N 3.43Å
135	T	87	Confident	91.8	Very high	105 Å²	105	64.1 Å²	64.1	64%	0.644	37%	0.373	S	S	*	.	S	Bend	trans	-61.7	-27.8	176.3	51.3	0	0	0	0	112.7
136	T	86.8	Confident	92.1	Very high	66 Å²	66	64.8 Å²	64.8	41%	0.405	37%	0.369	S	S	.	.	S	Bend	trans	-131.2	127.7	165.3	-56.5	0	0	0	0	108.4	H128 C134	H128-T136 PolarHBondContact N-O 3.48Å; C134-T136 PolarHBondContact O-N 3.43Å
137	K	89.8	Confident	92.3	Very high	69 Å²	69	67.4 Å²	67.4	30%	0.3	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.3	176.5	68.1	-173	179.4	-178.2	0	111.1	W72 K73 C125 K126	W72-K137 VanDerWaalsContact CA-O 3.32Å; W72-K137 WeakPolarHBondContact CA-O 3.41Å; W72-K137 HydrophobicContact CB-CD 4.09Å; W72-K137 VanDerWaalsContact CB-CE 3.49Å; W72-K137 HydrophobicContact CB-CG 3.37Å; W72-K137 WeakPolarHBondContact CB-O 3.47Å; W72-K137 HydrophobicContact CG-CG 4.39Å; K73-K137 PolarHBondContact N-O 3.19Å; C125-K137 HydrophobicContact CB-CD 4.22Å; K126-K137 CarbonylContact O-C 3.5Å; K126-K137 VanDerWaalsContact O-CA 3.23Å; K126-K137 WeakPolarHBondContact O-CA 3.33Å; K126-K137 WeakPolarHBondContact O-CB 3.2Å
138	T	90.3	Very high	92.6	Very high	18 Å²	18	68.5 Å²	68.5	11%	0.11	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131	173.7	-57.6	0	0	0	0	107.8	K73 C125 K126 W140	K73-T138 VanDerWaalsContact CE-OG1 3.25Å; K73-T138 WeakPolarHBondContact CE-OG1 3.11Å; K73-T138 HydrophobicContact CG-CG2 4.35Å; K73-T138 WeakPolarHBondContact O-CA 3.46Å; C125-T138 CarbonylContact C-O 3.58Å; C125-T138 WeakPolarHBondContact CA-O 3.36Å; K126-T138 PolarHBondContact N-O 2.04Å; K126-T138 PolarHBondContact O-N 3.33Å; T138-W140 WeakPolarHBondContact O-CZ3 2.99Å
139	C	93.1	Very high	93	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	154.1	-178	-46.1	0	0	0	0	112.5	W72 K73 W74 G75 L123 E124 C125	W72-C139 HydrophobicContact CD2-CB 4.45Å; W72-C139 HydrophobicContact CE3-CB 3.52Å; W72-C139 HydrophobicContact CH2-CB 4.49Å; W72-C139 HydrophobicContact CZ3-CB 3.56Å; K73-C139 PolarHBondContact O-N 3.33Å; W74-C139 WeakPolarHBondContact CA-O 3.29Å; G75-C139 PolarHBondContact N-O 3.17Å; G75-C139 VanDerWaalsContact N-O 3.08Å; G75-C139 VanDerWaalsContact O-O 3.14Å; L123-C139 HydrophobicContact CD1-CB 3.72Å; L123-C139 HydrophobicContact CD2-CB 4.42Å; L123-C139 HydrophobicContact CG-CB 4.01Å; E124-C139 CarbonylContact O-C 3.57Å; E124-C139 WeakPolarHBondContact O-CA 3.3Å; E124-C139 VanDerWaalsContact O-CB 3.23Å; E124-C139 WeakPolarHBondContact O-CB 3.47Å; C125-C139 HydrophobicContact CB-CB 4Å; C125-C139 WeakPolarHBondContact CB-SG 3.3Å; C125-C139 WeakPolarHBondContact SG-CB 3.07Å; C125-C139 CovalentContact SG-SG 2.03Å; C125-C139 PolarHBondContact SG-SG 2.94Å
140	W	94.5	Very high	93.6	Very high	62 Å²	62	63.9 Å²	63.9	24%	0.235	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	154	174.8	50.3	94.2	0	0	0	110.2	G75 E124 K126 T138	G75-W140 WeakPolarHBondContact O-CB 3.27Å; E124-W140 PolarHBondContact N-O 3.25Å; E124-W140 PolarHBondContact O-N 3.21Å; K126-W140 HydrophobicContact CB-CH2 3.7Å; K126-W140 HydrophobicContact CB-CZ3 4Å; T138-W140 WeakPolarHBondContact O-CZ3 2.99Å
141	T	95.4	Very high	93.8	Very high	15 Å²	15	63.8 Å²	63.8	9%	0.092	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	131	170.8	55.4	0	0	0	0	110.5	K62 W74 S78 A79 K122 L123	K62-T141 HydrophobicContact CD-CG2 3.69Å; K62-T141 PolarHBondContact NZ-OG1 2.81Å; W74-T141 HydrophobicContact CH2-CG2 3.94Å; W74-T141 HydrophobicContact CZ3-CG2 3.92Å; S78-T141 CarbonylContact C-O 3.55Å; S78-T141 WeakPolarHBondContact CA-O 3.42Å; S78-T141 WeakPolarHBondContact CB-OG1 3.45Å; S78-T141 PolarHBondContact OG-N 3.32Å; A79-T141 PolarHBondContact N-O 2.82Å; K122-T141 CarbonylContact O-C 3.59Å; K122-T141 VanDerWaalsContact O-CA 3.31Å; K122-T141 WeakPolarHBondContact O-CA 3.42Å; L123-T141 HydrophobicContact CD1-CG2 4.43Å
142	T	96.1	Very high	94.2	Very high	33 Å²	33	58.8 Å²	58.8	20%	0.202	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	159.4	178.3	-167.2	0	0	0	0	111.3	K122 E124	K122-T142 HydrophobicContact CB-CG2 3.95Å; K122-T142 PolarHBondContact N-O 2.98Å; K122-T142 PolarHBondContact O-N 3.08Å; E124-T142 HydrophobicContact CB-CG2 4.31Å; E124-T142 VanDerWaalsContact CD-CG2 3.43Å; E124-T142 HydrophobicContact CG-CG2 3.6Å
143	L	97.1	Very high	94.8	Very high	24 Å²	24	56.1 Å²	56.1	13%	0.126	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-73.3	143.7	172	-72	162.4	0	0	0	110.6	H42 T45 A46 A79 I81 L117 M121	H42-L143 WeakPolarHBondContact O-CD1 3Å; T45-L143 HydrophobicContact CG2-CD1 3.88Å; T45-L143 HydrophobicContact CG2-CD2 3.96Å; T45-L143 HydrophobicContact CG2-CG 4.05Å; A46-L143 HydrophobicContact CB-CD1 3.69Å; A79-L143 HydrophobicContact CB-CG 4.35Å; I81-L143 HydrophobicContact CD1-CD2 4.15Å; L117-L143 HydrophobicContact CD1-CD2 4.08Å; M121-L143 HydrophobicContact CE-CD2 4.44Å; M121-L143 HydrophobicContact SD-CD2 3.71Å; M121-L143 HydrophobicContact SD-CG 4.36Å
144	P	97.4	Very high	95.2	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.019	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-66.8	163.7	168.7	29.8	-33.8	0	0	0	110.9	H42 L117 R120 F146 I149	H42-P144 PolarHBondContact NE2-O 2.88Å; L117-P144 HydrophobicContact CD1-CG 4.01Å; R120-P144 HydrophobicContact CB-CG 4.05Å; R120-P144 WeakPolarHBondContact O-CB 3.28Å; R120-P144 WeakPolarHBondContact O-CD 3.48Å; R120-P144 WeakPolarHBondContact O-CG 3.4Å; P144-F146 PolarHBondContact O-N 2.71Å; P144-I149 HydrophobicContact CG-CD1 3.72Å; P144-I149 HydrophobicContact CG-CG1 3.95Å
145	K	97.6	Very high	95.5	Very high	175 Å²	175	60.1 Å²	60.1	76%	0.761	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-62.7	128.7	168.6	-68.8	-178.5	-179.1	176.5	0	108.4	R147 E148	K145-R147 PolarHBondContact O-N 3.08Å; K145-E148 VanDerWaalsContact O-CB 3.22Å; K145-E148 WeakPolarHBondContact O-CB 3.44Å; K145-E148 PolarHBondContact O-N 3Å
146	F	98.2	Very high	96	Very high	70 Å²	70	57 Å²	57	31%	0.307	26%	0.261	S	S	.	.	H	α-helix	trans	-59.7	-27.8	-175.3	-167.9	-108.8	0	0	0	113.7	I35 A38 G39 H42 P144 E148 I149 G150	I35-F146 HydrophobicContact CD1-CE1 3.81Å; I35-F146 HydrophobicContact CD1-CE2 4.37Å; I35-F146 HydrophobicContact CD1-CZ 3.51Å; I35-F146 HydrophobicContact CG1-CE1 4.21Å; I35-F146 HydrophobicContact CG1-CZ 4Å; A38-F146 HydrophobicContact CB-CE2 4.34Å; G39-F146 VanDerWaalsContact CA-CE2 3.46Å; G39-F146 VanDerWaalsContact CA-CZ 3.46Å; H42-F146 HydrophobicContact CB-CD2 3.92Å; H42-F146 HydrophobicContact CB-CE2 4.17Å; H42-F146 AromaticContact CD2-CD2 3.92Å; H42-F146 AromaticContact CG-CD2 3.75Å; P144-F146 PolarHBondContact O-N 2.71Å; F146-E148 VanDerWaalsContact C-N 3.26Å; F146-E148 PolarHBondContact O-N 2.7Å; F146-I149 HydrophobicContact CD2-CB 4.36Å; F146-I149 HydrophobicContact CE2-CG2 4.35Å; F146-I149 WeakPolarHBondContact O-CB 3.46Å; F146-I149 PolarHBondContact O-N 3.1Å; F146-I149 VanDerWaalsContact O-N 3.16Å; F146-G150 PolarHBondContact O-N 2.94Å
147	R	98	Very high	96.5	Very high	179 Å²	179	56.1 Å²	56.1	68%	0.675	25%	0.25	S	S	*	.	H	α-helix	trans	-58.5	-35.4	173.2	-175.1	171.5	-179.7	157.3	-3.5	113.1	K145 G150 Y151	K145-R147 PolarHBondContact O-N 3.08Å; R147-G150 PolarHBondContact O-N 3.46Å; R147-Y151 HydrophobicContact CG-CD2 4.06Å; R147-Y151 HydrophobicContact CG-CE2 3.53Å; R147-Y151 VanDerWaalsContact CZ-OH 3.31Å; R147-Y151 PolarHBondContact NE-OH 3.46Å; R147-Y151 PolarHBondContact NH2-OH 2.85Å; R147-Y151 WeakPolarHBondContact O-CD2 3.45Å; R147-Y151 PolarHBondContact O-N 2.86Å
148	E	97.9	Very high	96.7	Very high	64 Å²	64	56.8 Å²	56.8	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-64.7	-43.6	175.8	-173.3	177.9	164.6	0	0	111	K122 K145 F146 G150 Y151 I152	K122-E148 WeakPolarHBondContact CE-OE1 3.45Å; K122-E148 IonicContact NZ-OE1 3.96Å; K122-E148 PolarHBondContact NZ-OE1 3.23Å; K122-E148 IonicContact NZ-OE2 3.62Å; K122-E148 PolarHBondContact NZ-OE2 2.74Å; K145-E148 VanDerWaalsContact O-CB 3.22Å; K145-E148 WeakPolarHBondContact O-CB 3.44Å; K145-E148 PolarHBondContact O-N 3Å; F146-E148 VanDerWaalsContact C-N 3.26Å; F146-E148 PolarHBondContact O-N 2.7Å; E148-G150 VanDerWaalsContact C-N 3.32Å; E148-G150 PolarHBondContact O-N 3.11Å; E148-Y151 PolarHBondContact O-N 3.34Å; E148-I152 HydrophobicContact CG-CD1 4.33Å; E148-I152 WeakPolarHBondContact O-CG1 3.39Å; E148-I152 PolarHBondContact O-N 3.48Å
149	I	98.4	Very high	96.9	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-42.8	173.4	-57.3	-57.3	0	0	0	110.9	A38 V116 L117 R120 P144 F146 Y151 I152 L153	A38-I149 HydrophobicContact CB-CG2 4.19Å; V116-I149 HydrophobicContact CG1-CD1 4.28Å; V116-I149 HydrophobicContact CG1-CG2 4.32Å; L117-I149 HydrophobicContact CD1-CD1 4.18Å; L117-I149 HydrophobicContact CD1-CG1 4.1Å; R120-I149 HydrophobicContact CB-CD1 3.85Å; R120-I149 HydrophobicContact CG-CD1 4.18Å; P144-I149 HydrophobicContact CG-CD1 3.72Å; P144-I149 HydrophobicContact CG-CG1 3.95Å; F146-I149 HydrophobicContact CD2-CB 4.36Å; F146-I149 HydrophobicContact CE2-CG2 4.35Å; F146-I149 WeakPolarHBondContact O-CB 3.46Å; F146-I149 PolarHBondContact O-N 3.1Å; F146-I149 VanDerWaalsContact O-N 3.16Å; I149-Y151 VanDerWaalsContact C-N 3.32Å; I149-Y151 PolarHBondContact O-N 3.17Å; I149-I152 PolarHBondContact O-N 2.77Å; I149-L153 HydrophobicContact CG2-CD1 3.9Å; I149-L153 HydrophobicContact CG2-CG 4.36Å; I149-L153 WeakPolarHBondContact O-CB 3.49Å; I149-L153 WeakPolarHBondContact O-CG 3.15Å; I149-L153 PolarHBondContact O-N 3.29Å
150	G	98.2	Very high	96.9	Very high	19 Å²	19	62.4 Å²	62.4	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-57.9	-41.7	175.2	0	0	0	0	0	113.1	F146 R147 E148 K154	F146-G150 PolarHBondContact O-N 2.94Å; R147-G150 PolarHBondContact O-N 3.46Å; E148-G150 VanDerWaalsContact C-N 3.32Å; E148-G150 PolarHBondContact O-N 3.11Å; G150-K154 VanDerWaalsContact O-CB 3.28Å; G150-K154 WeakPolarHBondContact O-CB 3.45Å; G150-K154 PolarHBondContact O-N 3.49Å
151	Y	98.3	Very high	96.9	Very high	126 Å²	126	61.1 Å²	61.1	49%	0.494	29%	0.287	S	S	.	.	H	α-helix	trans	-66.3	-47	176	-72	-50.7	0	0	0	112.6	R147 E148 I149 L153 K154 E155	R147-Y151 HydrophobicContact CG-CD2 4.06Å; R147-Y151 HydrophobicContact CG-CE2 3.53Å; R147-Y151 VanDerWaalsContact CZ-OH 3.31Å; R147-Y151 PolarHBondContact NE-OH 3.46Å; R147-Y151 PolarHBondContact NH2-OH 2.85Å; R147-Y151 WeakPolarHBondContact O-CD2 3.45Å; R147-Y151 PolarHBondContact O-N 2.86Å; E148-Y151 PolarHBondContact O-N 3.34Å; I149-Y151 VanDerWaalsContact C-N 3.32Å; I149-Y151 PolarHBondContact O-N 3.17Å; Y151-L153 VanDerWaalsContact C-N 3.35Å; Y151-L153 PolarHBondContact O-N 2.96Å; Y151-K154 WeakPolarHBondContact O-CA 3.38Å; Y151-K154 WeakPolarHBondContact O-CB 3.24Å; Y151-K154 PolarHBondContact O-N 3Å; Y151-E155 PolarHBondContact O-N 3.15Å
152	I	98.3	Very high	96.7	Very high	25 Å²	25	62 Å²	62	13%	0.128	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-46.6	178.5	-64.6	162.9	0	0	0	110.5	V116 R120 E148 I149 K154 E155 K156	V116-I152 HydrophobicContact CG1-CB 4.14Å; V116-I152 HydrophobicContact CG1-CG2 3.65Å; V116-I152 HydrophobicContact CG2-CG2 4.46Å; R120-I152 HydrophobicContact CG-CD1 3.9Å; E148-I152 HydrophobicContact CG-CD1 4.33Å; E148-I152 WeakPolarHBondContact O-CG1 3.39Å; E148-I152 PolarHBondContact O-N 3.48Å; I149-I152 PolarHBondContact O-N 2.77Å; I152-K154 PolarHBondContact O-N 2.99Å; I152-E155 WeakPolarHBondContact O-CB 3.15Å; I152-E155 PolarHBondContact O-N 2.75Å; I152-K156 WeakPolarHBondContact O-CG 3.38Å; I152-K156 PolarHBondContact O-N 3.43Å
153	L	98.4	Very high	96.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-29.1	177.1	-71.8	175.3	0	0	0	112.1	F31 A34 I35 A38 V116 I149 Y151 K156 Y157	F31-L153 HydrophobicContact CD2-CB 4.03Å; F31-L153 WeakPolarHBondContact CD2-O 3.2Å; F31-L153 HydrophobicContact CE2-CB 3.64Å; A34-L153 HydrophobicContact CB-CD1 4.38Å; A34-L153 HydrophobicContact CB-CD2 4.09Å; I35-L153 HydrophobicContact CB-CD1 4.17Å; I35-L153 HydrophobicContact CD1-CD1 3.69Å; A38-L153 HydrophobicContact CB-CD1 4.33Å; V116-L153 HydrophobicContact CB-CD2 4.28Å; V116-L153 HydrophobicContact CG1-CD2 4.4Å; V116-L153 HydrophobicContact CG1-CG 4.4Å; V116-L153 HydrophobicContact CG2-CD2 4.04Å; I149-L153 HydrophobicContact CG2-CD1 3.9Å; I149-L153 HydrophobicContact CG2-CG 4.36Å; I149-L153 WeakPolarHBondContact O-CB 3.49Å; I149-L153 WeakPolarHBondContact O-CG 3.15Å; I149-L153 PolarHBondContact O-N 3.29Å; Y151-L153 VanDerWaalsContact C-N 3.35Å; Y151-L153 PolarHBondContact O-N 2.96Å; L153-K156 PolarHBondContact O-N 3.43Å; L153-Y157 WeakPolarHBondContact O-CB 3.45Å; L153-Y157 PolarHBondContact O-N 3.26Å
154	K	97.8	Very high	96.2	Very high	88 Å²	88	62.5 Å²	62.5	38%	0.383	29%	0.289	S	S	.	.	H	α-helix	trans	-72.3	-32.6	176	-179.5	61.6	-174.4	71.9	0	112.4	F31 G150 Y151 I152 Y157 N158	F31-K154 HydrophobicContact CE2-CB 4.26Å; G150-K154 VanDerWaalsContact O-CB 3.28Å; G150-K154 WeakPolarHBondContact O-CB 3.45Å; G150-K154 PolarHBondContact O-N 3.49Å; Y151-K154 WeakPolarHBondContact O-CA 3.38Å; Y151-K154 WeakPolarHBondContact O-CB 3.24Å; Y151-K154 PolarHBondContact O-N 3Å; I152-K154 PolarHBondContact O-N 2.99Å; K154-Y157 HydrophobicContact CD-CD1 4.11Å; K154-Y157 WeakPolarHBondContact O-CB 3.49Å; K154-N158 PolarHBondContact NZ-OD1 3.26Å; K154-N158 PolarHBondContact O-N 3.22Å
155	E	97.1	Very high	95.8	Very high	122 Å²	122	63.9 Å²	63.9	57%	0.57	30%	0.297	S	S	*	.	H	α-helix	trans	-66.1	-49.9	168.8	-67.9	173.9	172.4	0	0	110.1	Y151 I152 Y157 N158 D159	Y151-E155 PolarHBondContact O-N 3.15Å; I152-E155 WeakPolarHBondContact O-CB 3.15Å; I152-E155 PolarHBondContact O-N 2.75Å; E155-Y157 PolarHBondContact O-N 3.12Å; E155-Y157 VanDerWaalsContact O-N 3.16Å; E155-N158 WeakPolarHBondContact O-CA 3.35Å; E155-N158 WeakPolarHBondContact O-CB 3.39Å; E155-N158 PolarHBondContact O-N 3.49Å; E155-D159 PolarHBondContact O-N 3.5Å
156	K	97.3	Very high	95.2	Very high	39 Å²	39	57.3 Å²	57.3	17%	0.17	27%	0.272	C	S	.	.	H	α-helix	trans	-57.7	-31.1	174.7	-64.8	-62.7	-165.8	173.6	0	113.4	I152 L153 D159 A160 T191 D192 L193	I152-K156 WeakPolarHBondContact O-CG 3.38Å; I152-K156 PolarHBondContact O-N 3.43Å; L153-K156 PolarHBondContact O-N 3.43Å; K156-D159 CarbonylContact O-C 3.55Å; K156-A160 WeakPolarHBondContact O-CA 3.41Å; K156-A160 PolarHBondContact O-N 2.88Å; K156-T191 WeakPolarHBondContact CE-O 2.97Å; K156-T191 PolarHBondContact NZ-OG1 2.75Å; K156-D192 IonicContact NZ-OD1 3.68Å; K156-D192 PolarHBondContact NZ-OD1 3.48Å; K156-L193 HydrophobicContact CB-CD1 4.21Å; K156-L193 HydrophobicContact CB-CG 4.03Å
157	Y	96.8	Very high	94.6	Very high	47 Å²	47	60.9 Å²	60.9	18%	0.184	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-43	171.9	164.2	-86.5	0	0	0	111.7	R27 E28 F31 L153 K154 E155 D159 A160	R27-Y157 HydrophobicContact CB-CD2 4.46Å; R27-Y157 HydrophobicContact CB-CE2 3.94Å; R27-Y157 WeakPolarHBondContact CD-O 3.35Å; R27-Y157 HydrophobicContact CG-CD2 3.6Å; R27-Y157 HydrophobicContact CG-CE2 3.44Å; R27-Y157 VanDerWaalsContact CG-CE2 3.44Å; R27-Y157 HydrophobicContact CG-CG 4.33Å; R27-Y157 WeakPolarHBondContact O-CD2 3.02Å; E28-Y157 HydrophobicContact CB-CE2 4.47Å; E28-Y157 HydrophobicContact CG-CE2 4.05Å; E28-Y157 PolarHBondContact OE1-OH 2.81Å; F31-Y157 HydrophobicContact CB-CD2 3.68Å; F31-Y157 HydrophobicContact CB-CG 4.34Å; F31-Y157 HydrophobicContact CG-CD2 4.33Å; L153-Y157 WeakPolarHBondContact O-CB 3.45Å; L153-Y157 PolarHBondContact O-N 3.26Å; K154-Y157 HydrophobicContact CD-CD1 4.11Å; K154-Y157 WeakPolarHBondContact O-CB 3.49Å; E155-Y157 PolarHBondContact O-N 3.12Å; E155-Y157 VanDerWaalsContact O-N 3.16Å; Y157-D159 VanDerWaalsContact C-N 3.26Å; Y157-D159 PolarHBondContact O-N 3.19Å; Y157-A160 WeakPolarHBondContact O-CB 3.39Å; Y157-A160 PolarHBondContact O-N 3.07Å
158	N	94.6	Very high	93.8	Very high	84 Å²	84	54 Å²	54	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-37.6	179.5	-67.7	-25.5	0	0	0	111.3	R27 K154 E155	R27-N158 PolarHBondContact NH1-O 3.25Å; K154-N158 PolarHBondContact NZ-OD1 3.26Å; K154-N158 PolarHBondContact O-N 3.22Å; E155-N158 WeakPolarHBondContact O-CA 3.35Å; E155-N158 WeakPolarHBondContact O-CB 3.39Å; E155-N158 PolarHBondContact O-N 3.49Å
159	D	93.8	Very high	92.7	Very high	125 Å²	125	56.9 Å²	56.9	67%	0.668	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	10.3	-177.8	-58.5	-28.7	0	0	0	113.7	E155 K156 Y157	E155-D159 PolarHBondContact O-N 3.5Å; K156-D159 CarbonylContact O-C 3.55Å; Y157-D159 VanDerWaalsContact C-N 3.26Å; Y157-D159 PolarHBondContact O-N 3.19Å
160	A	94.7	Very high	91.6	Very high	10 Å²	10	68.5 Å²	68.5	8%	0.083	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-58.9	143.8	-175.2	0	0	0	0	0	111.9	R27 K156 Y157 L193 Y195	R27-A160 HydrophobicContact CG-CB 3.83Å; K156-A160 WeakPolarHBondContact O-CA 3.41Å; K156-A160 PolarHBondContact O-N 2.88Å; Y157-A160 WeakPolarHBondContact O-CB 3.39Å; Y157-A160 PolarHBondContact O-N 3.07Å; A160-L193 CarbonylContact C-O 3.57Å; A160-L193 VanDerWaalsContact CA-O 3.29Å; A160-L193 WeakPolarHBondContact CA-O 3.22Å; A160-L193 HydrophobicContact CB-CB 4Å; A160-Y195 HydrophobicContact CB-CD1 3.99Å; A160-Y195 HydrophobicContact CB-CE1 4.24Å; A160-Y195 WeakPolarHBondContact O-CE1 3.48Å
161	V	92.7	Very high	90.5	Very high	35 Å²	35	73.5 Å²	73.5	21%	0.212	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.3	-170.8	-175.9	0	0	0	0	111.3	V163 V179 P188 L193 V194 Y195	V161-V163 HydrophobicContact CG1-CG1 4.19Å; V161-V163 PolarHBondContact O-N 3.12Å; V161-V179 HydrophobicContact CG1-CB 4.34Å; V161-V179 HydrophobicContact CG1-CG1 3.67Å; V161-V179 HydrophobicContact CG1-CG2 3.72Å; V161-P188 HydrophobicContact CB-CG 4.24Å; V161-P188 HydrophobicContact CG1-CG 4.2Å; V161-P188 HydrophobicContact CG2-CG 4.17Å; V161-L193 PolarHBondContact N-O 2.95Å; V161-V194 WeakPolarHBondContact O-CA 3.3Å; V161-Y195 WeakPolarHBondContact O-CD1 3.37Å; V161-Y195 PolarHBondContact O-N 3.47Å
162	H	92.3	Very high	89.3	Confident	35 Å²	35	77.4 Å²	77.4	16%	0.162	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	118.3	172.5	-165.9	-171.8	0	0	0	110	K180 Y195 I196	H162-K180 PolarHBondContact O-N 3.37Å; H162-Y195 WeakPolarHBondContact CA-O 3.16Å; H162-Y195 HydrophobicContact CB-CD2 4.41Å; H162-Y195 HydrophobicContact CB-CE1 4.11Å; H162-Y195 HydrophobicContact CB-CE2 3.7Å; H162-Y195 AromaticContact CD2-CD2 3.84Å; H162-Y195 AromaticContact CD2-CE2 3.67Å; H162-Y195 PolarHBondContact CD2-O 3.29Å; H162-Y195 AromaticContact CG-CE2 3.59Å; H162-Y195 AromaticContact CG-CZ 3.97Å; H162-I196 PolarHBondContact NE2-O 2.84Å
163	V	92.3	Very high	88.4	Confident	3 Å²	3	80 Å²	80	2%	0.018	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	151.6	-178.6	-50.7	0	0	0	0	111.8	V161 L177 K178 V179 V194 Y195 I196	V161-V163 HydrophobicContact CG1-CG1 4.19Å; V161-V163 PolarHBondContact O-N 3.12Å; V163-L177 HydrophobicContact CB-CB 4.28Å; V163-L177 HydrophobicContact CG2-CB 3.93Å; V163-L177 HydrophobicContact CG2-CD1 3.89Å; V163-L177 HydrophobicContact CG2-CD2 4.19Å; V163-L177 HydrophobicContact CG2-CG 4.21Å; V163-K178 CarbonylContact C-O 3.58Å; V163-K178 WeakPolarHBondContact CA-O 3.14Å; V163-K178 WeakPolarHBondContact CB-O 3.47Å; V163-V179 HydrophobicContact CG1-CG2 3.91Å; V163-V194 HydrophobicContact CG1-CB 3.88Å; V163-V194 HydrophobicContact CG1-CG1 3.92Å; V163-V194 HydrophobicContact CG2-CB 4.12Å; V163-V194 HydrophobicContact CG2-CG2 4.44Å; V163-Y195 PolarHBondContact N-O 2.89Å; V163-I196 HydrophobicContact CG2-CG2 3.66Å; V163-I196 WeakPolarHBondContact O-CA 3.38Å
164	E	90.4	Very high	87.6	Confident	64 Å²	64	81.2 Å²	81.2	30%	0.299	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	151.4	175.9	-67.8	-175.1	165.1	0	0	110.7	L177 K178 K180	E164-L177 WeakPolarHBondContact O-CA 3.35Å; E164-K178 HydrophobicContact CB-CG 4.17Å; E164-K178 PolarHBondContact N-O 3.34Å; E164-K178 PolarHBondContact O-N 3.03Å; E164-K178 IonicContact OE2-NZ 3.99Å; E164-K180 HydrophobicContact CG-CB 4.07Å; E164-K180 HydrophobicContact CG-CD 4.26Å; E164-K180 HydrophobicContact CG-CG 4.22Å; E164-K180 WeakPolarHBondContact OE1-CD 3.43Å; E164-K180 WeakPolarHBondContact OE1-CE 3.26Å; E164-K180 WeakPolarHBondContact OE1-CG 3.48Å; E164-K180 IonicContact OE1-NZ 3.42Å; E164-K180 PolarHBondContact OE1-NZ 3.37Å
165	V	88.1	Confident	86.9	Confident	31 Å²	31	80.3 Å²	80.3	19%	0.188	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.5	-176.4	-176.4	0	0	0	0	109	P101 R167 P174 L177 I196	P101-V165 HydrophobicContact CB-CB 4.01Å; P101-V165 HydrophobicContact CB-CG1 3.59Å; P101-V165 HydrophobicContact CB-CG2 3.25Å; P101-V165 HydrophobicContact CG-CB 4.39Å; P101-V165 HydrophobicContact CG-CG1 3.81Å; P101-V165 HydrophobicContact CG-CG2 3.97Å; V165-R167 HydrophobicContact CG1-CG 4.19Å; V165-P174 HydrophobicContact CG1-CB 3.7Å; V165-L177 HydrophobicContact CG2-CD2 4.09Å; V165-I196 HydrophobicContact CG2-CG2 4.35Å
166	V	86.6	Confident	86.3	Confident	37 Å²	37	79.4 Å²	79.4	22%	0.224	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.9	167.1	-173.3	0	0	0	0	108.6	T175 H176 K178	V166-T175 PolarHBondContact O-N 3.02Å; V166-T175 PolarHBondContact O-OG1 2.68Å; V166-T175 VanDerWaalsContact O-OG1 3.09Å; V166-H176 WeakPolarHBondContact CG2-NE2 3.44Å; V166-H176 PolarHBondContact N-O 3.14Å; V166-K178 HydrophobicContact CG2-CB 3.84Å; V166-K178 HydrophobicContact CG2-CD 3.56Å; V166-K178 HydrophobicContact CG2-CG 3.55Å
167	R	85.1	Confident	85.8	Confident	146 Å²	146	79.6 Å²	79.6	55%	0.551	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.6	178.7	-68.8	-178	173.6	84.3	-4.4	110	V165 R172 Q173	V165-R167 HydrophobicContact CG1-CG 4.19Å; R167-R172 WeakPolarHBondContact CD-O 3.44Å; R167-Q173 CarbonylContact C-O 3.46Å; R167-Q173 VanDerWaalsContact CA-O 3.32Å; R167-Q173 WeakPolarHBondContact CA-O 3.39Å
168	A	81.5	Confident	85.3	Confident	34 Å²	34	82.2 Å²	82.2	28%	0.281	40%	0.403	S	S	.	.			trans	-63.5	137.1	172.7	0	0	0	0	0	110.8	R170 R172 Q173 T175	A168-R170 PolarHBondContact O-N 2.7Å; A168-R172 VanDerWaalsContact O-CA 3.29Å; A168-R172 WeakPolarHBondContact O-CA 3.29Å; A168-R172 PolarHBondContact O-N 3.12Å; A168-Q173 PolarHBondContact N-O 2.02Å; A168-T175 HydrophobicContact CB-CG2 3.71Å
169	S	74.6	Confident	84.9	Confident	125 Å²	125	79.2 Å²	79.2	87%	0.874	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-43	-176.1	-177.3	0	0	0	0	113.3
170	R	74.7	Confident	83.9	Confident	244 Å²	244	77.6 Å²	77.6	92%	0.921	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-38.6	-174.9	-75	-172.9	174.6	134.5	-1.1	115.4	A168	A168-R170 PolarHBondContact O-N 2.7Å
171	L	74.4	Confident	82.6	Confident	123 Å²	123	86 Å²	86	64%	0.644	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-4.9	-171.7	-71.7	164.5	0	0	0	113.3	Q173	L171-Q173 HydrophobicContact CB-CB 4.35Å; L171-Q173 HydrophobicContact CB-CG 4.04Å; L171-Q173 PolarHBondContact O-N 3.04Å
172	R	73.9	Confident	80.9	Confident	208 Å²	208	89.6 Å²	89.6	79%	0.785	43%	0.434	S	S	*	.			trans	48.9	16	-169.7	-64.5	-172.6	176.6	-172.8	0.1	114.5	R167 A168	R167-R172 WeakPolarHBondContact CD-O 3.44Å; A168-R172 VanDerWaalsContact O-CA 3.29Å; A168-R172 WeakPolarHBondContact O-CA 3.29Å; A168-R172 PolarHBondContact O-N 3.12Å
173	Q	79.4	Confident	79.1	Confident	79 Å²	79	97.9 Å²	97.9	37%	0.369	47%	0.473	S	S	.	.			trans	-75.3	140.8	178.6	-73.9	-175.6	10.7	0	0	110.1	R167 A168 L171 T175	R167-Q173 CarbonylContact C-O 3.46Å; R167-Q173 VanDerWaalsContact CA-O 3.32Å; R167-Q173 WeakPolarHBondContact CA-O 3.39Å; A168-Q173 PolarHBondContact N-O 2.02Å; L171-Q173 HydrophobicContact CB-CB 4.35Å; L171-Q173 HydrophobicContact CB-CG 4.04Å; L171-Q173 PolarHBondContact O-N 3.04Å; Q173-T175 PolarHBondContact O-N 2.9Å
174	P	80.8	Confident	77.8	Confident	26 Å²	26	101.9 Å²	101.9	17%	0.169	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	125.5	174.1	27.8	-32.4	0	0	0	109.7	K99 P101 L104 V165	K99-P174 WeakPolarHBondContact O-CG 3.44Å; P101-P174 HydrophobicContact CB-CB 4.22Å; P101-P174 HydrophobicContact CG-CB 4.04Å; P101-P174 HydrophobicContact CG-CG 4.29Å; L104-P174 HydrophobicContact CD1-CB 4.14Å; V165-P174 HydrophobicContact CG1-CB 3.7Å
175	T	83.2	Confident	76.7	Confident	69 Å²	69	104.2 Å²	104.2	42%	0.423	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-53.1	-178	46.9	0	0	0	0	111.6	V166 A168 Q173	V166-T175 PolarHBondContact O-N 3.02Å; V166-T175 PolarHBondContact O-OG1 2.68Å; V166-T175 VanDerWaalsContact O-OG1 3.09Å; A168-T175 HydrophobicContact CB-CG2 3.71Å; Q173-T175 PolarHBondContact O-N 2.9Å
176	H	84.9	Confident	76	Confident	104 Å²	104	111.9 Å²	111.9	48%	0.481	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	167.7	179.6	58.2	-92.6	0	0	0	111	V166	V166-H176 WeakPolarHBondContact CG2-NE2 3.44Å; V166-H176 PolarHBondContact N-O 3.14Å
177	L	87.3	Confident	75.7	Confident	43 Å²	43	118 Å²	118	23%	0.225	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.6	135.2	174.1	-56.9	176	0	0	0	108.7	L104 M105 V163 E164 V165 V194 I196	L104-L177 HydrophobicContact CB-CD1 3.95Å; L104-L177 HydrophobicContact CB-CD2 4.2Å; L104-L177 HydrophobicContact CB-CG 3.94Å; L104-L177 HydrophobicContact CD1-CD2 4.33Å; L104-L177 HydrophobicContact CD1-CG 4.39Å; M105-L177 HydrophobicContact CB-CD1 4.31Å; V163-L177 HydrophobicContact CB-CB 4.28Å; V163-L177 HydrophobicContact CG2-CB 3.93Å; V163-L177 HydrophobicContact CG2-CD1 3.89Å; V163-L177 HydrophobicContact CG2-CD2 4.19Å; V163-L177 HydrophobicContact CG2-CG 4.21Å; E164-L177 WeakPolarHBondContact O-CA 3.35Å; V165-L177 HydrophobicContact CG2-CD2 4.09Å; L177-V194 HydrophobicContact CD1-CG2 4.27Å; L177-I196 HydrophobicContact CD2-CG2 4.16Å
178	K	87.1	Confident	75.7	Confident	101 Å²	101	112.3 Å²	112.3	44%	0.439	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.3	150	170.7	68.4	172	179.6	170.9	0	108.7	V163 E164 V166	V163-K178 CarbonylContact C-O 3.58Å; V163-K178 WeakPolarHBondContact CA-O 3.14Å; V163-K178 WeakPolarHBondContact CB-O 3.47Å; E164-K178 HydrophobicContact CB-CG 4.17Å; E164-K178 PolarHBondContact N-O 3.34Å; E164-K178 PolarHBondContact O-N 3.03Å; E164-K178 IonicContact OE2-NZ 3.99Å; V166-K178 HydrophobicContact CG2-CB 3.84Å; V166-K178 HydrophobicContact CG2-CD 3.56Å; V166-K178 HydrophobicContact CG2-CG 3.55Å
179	V	84.4	Confident	76.2	Confident	21 Å²	21	114.4 Å²	114.4	13%	0.127	56%	0.558	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.2	142.7	174	177.4	0	0	0	0	109.9	V161 V163 Q181 Y185 P188	V161-V179 HydrophobicContact CG1-CB 4.34Å; V161-V179 HydrophobicContact CG1-CG1 3.67Å; V161-V179 HydrophobicContact CG1-CG2 3.72Å; V163-V179 HydrophobicContact CG1-CG2 3.91Å; V179-Q181 PolarHBondContact O-N 2.81Å; V179-Y185 HydrophobicContact CB-CD2 3.93Å; V179-Y185 HydrophobicContact CB-CE1 4.32Å; V179-Y185 HydrophobicContact CB-CE2 3.21Å; V179-Y185 WeakPolarHBondContact CB-OH 3.39Å; V179-Y185 HydrophobicContact CG1-CD2 3.57Å; V179-Y185 HydrophobicContact CG1-CE2 3.27Å; V179-Y185 HydrophobicContact CG2-CD2 4.41Å; V179-Y185 HydrophobicContact CG2-CE2 3.31Å; V179-Y185 WeakPolarHBondContact CG2-OH 3.5Å; V179-P188 HydrophobicContact CG2-CG 3.77Å
180	K	74.6	Confident	77.1	Confident	91 Å²	91	115 Å²	115	40%	0.396	55%	0.547	S	S	.	.			trans	-65.2	115.8	175.4	-170.1	163.7	-173.6	158.7	0	108.5	H162 E164 T182	H162-K180 PolarHBondContact O-N 3.37Å; E164-K180 HydrophobicContact CG-CB 4.07Å; E164-K180 HydrophobicContact CG-CD 4.26Å; E164-K180 HydrophobicContact CG-CG 4.22Å; E164-K180 WeakPolarHBondContact OE1-CD 3.43Å; E164-K180 WeakPolarHBondContact OE1-CE 3.26Å; E164-K180 WeakPolarHBondContact OE1-CG 3.48Å; E164-K180 IonicContact OE1-NZ 3.42Å; E164-K180 PolarHBondContact OE1-NZ 3.37Å; K180-T182 PolarHBondContact O-N 3.39Å; K180-T182 VanDerWaalsContact O-N 3.12Å
181	Q	65.4	Low	78.1	Confident	188 Å²	188	104 Å²	104	88%	0.879	51%	0.507	S	S	*	.			trans	-55.1	114.7	-171.9	-87.2	173.4	-18.4	0	0	112.3	V179	V179-Q181 PolarHBondContact O-N 2.81Å
182	T	57.8	Low	79.1	Confident	109 Å²	109	99.6 Å²	99.6	67%	0.669	48%	0.484	S	S	*	.			trans	-129.5	141.5	162.1	19.9	0	0	0	0	107.9	K180 G184	K180-T182 PolarHBondContact O-N 3.39Å; K180-T182 VanDerWaalsContact O-N 3.12Å; T182-G184 PolarHBondContact O-N 3.12Å
183	Q	55.8	Low	80.2	Confident	209 Å²	209	89.8 Å²	89.8	98%	0.977	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	137.3	176.8	-72.8	-170	-21.2	0	0	110.4
184	G	64	Low	81	Confident	87 Å²	87	86.2 Å²	86.2	90%	0.897	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	17	-178.1	0	0	0	0	0	116.1	T182	T182-G184 PolarHBondContact O-N 3.12Å
185	Y	68.1	Low	81.7	Confident	113 Å²	113	86.2 Å²	86.2	44%	0.443	43%	0.428	S	S	.	.			trans	-69.4	133.1	-172.2	169.6	-109	0	0	0	115.5	V179 K187 P188	V179-Y185 HydrophobicContact CB-CD2 3.93Å; V179-Y185 HydrophobicContact CB-CE1 4.32Å; V179-Y185 HydrophobicContact CB-CE2 3.21Å; V179-Y185 WeakPolarHBondContact CB-OH 3.39Å; V179-Y185 HydrophobicContact CG1-CD2 3.57Å; V179-Y185 HydrophobicContact CG1-CE2 3.27Å; V179-Y185 HydrophobicContact CG2-CD2 4.41Å; V179-Y185 HydrophobicContact CG2-CE2 3.31Å; V179-Y185 WeakPolarHBondContact CG2-OH 3.5Å; Y185-K187 HydrophobicContact CE1-CB 4.49Å; Y185-K187 WeakPolarHBondContact OH-CA 2.98Å; Y185-P188 WeakPolarHBondContact OH-CD 3.18Å
186	R	71.8	Confident	82.2	Confident	193 Å²	193	84.3 Å²	84.3	73%	0.728	41%	0.414	S	S	*	.			trans	-108.5	131.2	165.3	-178.1	177.3	176.5	162.1	-1.2	110.1
187	K	81.3	Confident	82.5	Confident	166 Å²	166	83.1 Å²	83.1	72%	0.722	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-55.4	128.1	174.2	-173.4	-176.6	174.6	-172.4	0	110.9	Y185 M189	Y185-K187 HydrophobicContact CE1-CB 4.49Å; Y185-K187 WeakPolarHBondContact OH-CA 2.98Å; K187-M189 PolarHBondContact O-N 3.33Å
188	P	85.8	Confident	82.7	Confident	25 Å²	25	90 Å²	90	16%	0.162	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-54.5	134.9	174.5	-24.6	30.8	0	0	0	110.5	V161 V179 Y185 D192 V194	V161-P188 HydrophobicContact CB-CG 4.24Å; V161-P188 HydrophobicContact CG1-CG 4.2Å; V161-P188 HydrophobicContact CG2-CG 4.17Å; V179-P188 HydrophobicContact CG2-CG 3.77Å; Y185-P188 WeakPolarHBondContact OH-CD 3.18Å; P188-D192 HydrophobicContact CB-CB 4.08Å; P188-V194 HydrophobicContact CB-CG1 4.43Å; P188-V194 HydrophobicContact CG-CG1 4.47Å
189	M	91	Very high	83	Confident	79 Å²	79	87.2 Å²	87.2	39%	0.389	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-73.1	165.6	170.5	-58.8	-173.3	-64.2	0	0	110.1	K187 T191 D192	K187-M189 PolarHBondContact O-N 3.33Å; M189-T191 PolarHBondContact O-N 2.86Å; M189-D192 WeakPolarHBondContact CB-OD2 3.21Å; M189-D192 PolarHBondContact N-OD2 2.97Å; M189-D192 PolarHBondContact O-N 3.35Å
190	E	92.9	Very high	83.4	Confident	137 Å²	137	87.5 Å²	87.5	64%	0.64	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.7	176.6	-65.7	-178.9	176.3	0	0	112.6	A112	A112-E190 WeakPolarHBondContact CA-O 3.46Å; A112-E190 WeakPolarHBondContact CB-O 3.25Å
191	T	96.4	Very high	84.2	Confident	13 Å²	13	88.7 Å²	88.7	8%	0.08	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-2.8	176.6	57.1	0	0	0	0	114.2	K115 V116 K156 M189	K115-T191 HydrophobicContact CB-CG2 4.05Å; K115-T191 HydrophobicContact CG-CG2 3.73Å; V116-T191 HydrophobicContact CG2-CG2 4.01Å; K156-T191 WeakPolarHBondContact CE-O 2.97Å; K156-T191 PolarHBondContact NZ-OG1 2.75Å; M189-T191 PolarHBondContact O-N 2.86Å
192	D	96.2	Very high	85.5	Confident	31 Å²	31	83.9 Å²	83.9	17%	0.166	41%	0.413	C	S	.	.	S	Bend	trans	-87	143	-179.6	-64.9	-23.9	0	0	0	111.1	H108 K156 P188 M189	H108-D192 PolarHBondContact CD2-O 3.48Å; H108-D192 PolarHBondContact NE2-O 3.28Å; K156-D192 IonicContact NZ-OD1 3.68Å; K156-D192 PolarHBondContact NZ-OD1 3.48Å; P188-D192 HydrophobicContact CB-CB 4.08Å; M189-D192 WeakPolarHBondContact CB-OD2 3.21Å; M189-D192 PolarHBondContact N-OD2 2.97Å; M189-D192 PolarHBondContact O-N 3.35Å
193	L	97.3	Very high	87.3	Confident	1 Å²	1	79.9 Å²	79.9	1%	0.005	39%	0.389	C	S	.	.			trans	-86.7	143.9	177.2	-60.3	-176.7	0	0	0	111.2	A30 F31 A34 N109 A112 K156 A160 V161	A30-L193 HydrophobicContact CB-CB 4.37Å; F31-L193 HydrophobicContact CB-CD1 4.23Å; F31-L193 HydrophobicContact CD2-CD1 4.46Å; A34-L193 HydrophobicContact CB-CD2 3.53Å; N109-L193 HydrophobicContact CB-CD2 4.29Å; N109-L193 WeakPolarHBondContact OD1-CA 3.42Å; A112-L193 HydrophobicContact CB-CD2 3.99Å; K156-L193 HydrophobicContact CB-CD1 4.21Å; K156-L193 HydrophobicContact CB-CG 4.03Å; A160-L193 CarbonylContact C-O 3.57Å; A160-L193 VanDerWaalsContact CA-O 3.29Å; A160-L193 WeakPolarHBondContact CA-O 3.22Å; A160-L193 HydrophobicContact CB-CB 4Å; V161-L193 PolarHBondContact N-O 2.95Å
194	V	95.6	Very high	89.2	Confident	5 Å²	5	75.1 Å²	75.1	3%	0.03	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.2	179.4	-58.6	0	0	0	0	111.5	A30 M105 H108 N109 V161 V163 L177 P188	A30-V194 VanDerWaalsContact CB-O 3.29Å; A30-V194 WeakPolarHBondContact CB-O 3.19Å; M105-V194 HydrophobicContact CG-CG2 4.18Å; M105-V194 VanDerWaalsContact CG-O 3.3Å; M105-V194 WeakPolarHBondContact CG-O 3.37Å; H108-V194 HydrophobicContact CB-CG2 4.16Å; H108-V194 VanDerWaalsContact CD2-CG2 3.49Å; H108-V194 WeakPolarHBondContact CD2-CG2 3.05Å; N109-V194 PolarHBondContact ND2-O 3.24Å; N109-V194 PolarHBondContact OD1-N 3.11Å; N109-V194 PolarHBondContact OD1-O 3.2Å; V161-V194 WeakPolarHBondContact O-CA 3.3Å; V163-V194 HydrophobicContact CG1-CB 3.88Å; V163-V194 HydrophobicContact CG1-CG1 3.92Å; V163-V194 HydrophobicContact CG2-CB 4.12Å; V163-V194 HydrophobicContact CG2-CG2 4.44Å; L177-V194 HydrophobicContact CD1-CG2 4.27Å; P188-V194 HydrophobicContact CB-CG1 4.43Å; P188-V194 HydrophobicContact CG-CG1 4.47Å
195	Y	94.9	Very high	90.5	Very high	26 Å²	26	78.3 Å²	78.3	10%	0.102	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	153.2	175.4	68.5	-87	0	0	0	110.7	R27 A160 V161 H162 V163 E197	R27-Y195 HydrophobicContact CB-CD1 4.27Å; R27-Y195 HydrophobicContact CB-CG 4.37Å; R27-Y195 HydrophobicContact CG-CD1 4.34Å; R27-Y195 PolarHBondContact NH2-OH 2.76Å; A160-Y195 HydrophobicContact CB-CD1 3.99Å; A160-Y195 HydrophobicContact CB-CE1 4.24Å; A160-Y195 WeakPolarHBondContact O-CE1 3.48Å; V161-Y195 WeakPolarHBondContact O-CD1 3.37Å; V161-Y195 PolarHBondContact O-N 3.47Å; H162-Y195 WeakPolarHBondContact CA-O 3.16Å; H162-Y195 HydrophobicContact CB-CD2 4.41Å; H162-Y195 HydrophobicContact CB-CE1 4.11Å; H162-Y195 HydrophobicContact CB-CE2 3.7Å; H162-Y195 AromaticContact CD2-CD2 3.84Å; H162-Y195 AromaticContact CD2-CE2 3.67Å; H162-Y195 PolarHBondContact CD2-O 3.29Å; H162-Y195 AromaticContact CG-CE2 3.59Å; H162-Y195 AromaticContact CG-CZ 3.97Å; V163-Y195 PolarHBondContact N-O 2.89Å; Y195-E197 WeakPolarHBondContact CD2-O 3.45Å
196	I	93.4	Very high	91.6	Very high	28 Å²	28	75.7 Å²	75.7	14%	0.144	35%	0.352	C	S	.	.	S	Bend	trans	-109	-20.7	-176	55.8	173.1	0	0	0	113.2	G25 P101 R102 M105 H162 V163 V165 L177	G25-I196 PolarHBondContact O-N 2.87Å; P101-I196 HydrophobicContact CB-CD1 4.44Å; R102-I196 HydrophobicContact CB-CD1 4.49Å; M105-I196 HydrophobicContact CB-CG2 4.44Å; M105-I196 HydrophobicContact SD-CG1 3.89Å; H162-I196 PolarHBondContact NE2-O 2.84Å; V163-I196 HydrophobicContact CG2-CG2 3.66Å; V163-I196 WeakPolarHBondContact O-CA 3.38Å; V165-I196 HydrophobicContact CG2-CG2 4.35Å; L177-I196 HydrophobicContact CD2-CG2 4.16Å
197	E	92.1	Very high	92.4	Very high	80 Å²	80	71 Å²	71	37%	0.374	35%	0.354	S	S	.	.	S	Bend	trans	-126.3	142.1	-176.9	-72.2	170.4	-176.3	0	0	111.1	R24 G25 S26 Y195	R24-E197 WeakPolarHBondContact CA-OE2 3.4Å; R24-E197 WeakPolarHBondContact CB-OE2 3.03Å; R24-E197 WeakPolarHBondContact CG-OE2 3.08Å; G25-E197 PolarHBondContact N-OE2 3.16Å; G25-E197 PolarHBondContact O-N 3.48Å; S26-E197 WeakPolarHBondContact CA-O 3.46Å; Y195-E197 WeakPolarHBondContact CD2-O 3.45Å
198	R	91.8	Very high	92.6	Very high	186 Å²	186	67.3 Å²	67.3	70%	0.702	36%	0.355	S	S	*	.			trans	-65.5	140	174.6	-67.3	-175.8	177.4	-139.1	-0.7	110.2
199	S	92.6	Very high	92.5	Very high	43 Å²	43	67 Å²	67	30%	0.301	35%	0.353	S	S	.	.			trans	-59.6	138.6	174	-56.5	0	0	0	0	110.3	E28	E28-S199 VanDerWaalsContact CD-OG 3.23Å; E28-S199 VanDerWaalsContact OE1-CB 3.31Å; E28-S199 WeakPolarHBondContact OE1-CB 3.48Å; E28-S199 PolarHBondContact OE1-OG 3.05Å; E28-S199 PolarHBondContact OE2-OG 3.45Å
200	P	92.4	Very high	92.2	Very high	27 Å²	27	64.5 Å²	64.5	18%	0.175	35%	0.347	C	S	.	.			trans	-69.1	174.8	173	33	-37.1	0	0	0	111.3	Y202 T209	P200-Y202 WeakPolarHBondContact CD-OH 3.43Å; P200-Y202 HydrophobicContact CG-CD1 4.3Å; P200-Y202 HydrophobicContact CG-CE1 3.68Å; P200-Y202 HydrophobicContact CG-CE2 4.4Å; P200-T209 HydrophobicContact CB-CG2 3.88Å; P200-T209 HydrophobicContact CG-CG2 3.98Å
201	N	91.6	Very high	92.1	Very high	116 Å²	116	58.5 Å²	58.5	62%	0.62	32%	0.32	S	S	*	.			trans	-77.3	126.4	165.6	-172.4	-16.8	0	0	0	109.2	C203	N201-C203 WeakPolarHBondContact OD1-CB 3.37Å; N201-C203 PolarHBondContact OD1-N 3.21Å; N201-C203 PolarHBondContact OD1-SG 2.71Å
202	Y	93.7	Very high	92	Very high	87 Å²	87	63.9 Å²	63.9	34%	0.341	35%	0.353	S	S	.	.			trans	-98.3	4.9	-178.8	-63.2	-70.6	0	0	0	113.8	E28 P200 G213	E28-Y202 HydrophobicContact CG-CE2 4.36Å; E28-Y202 PolarHBondContact OE2-OH 3.43Å; P200-Y202 WeakPolarHBondContact CD-OH 3.43Å; P200-Y202 HydrophobicContact CG-CD1 4.3Å; P200-Y202 HydrophobicContact CG-CE1 3.68Å; P200-Y202 HydrophobicContact CG-CE2 4.4Å; Y202-G213 CarbonylContact O-C 3.51Å; Y202-G213 WeakPolarHBondContact O-CA 3.08Å
203	C	94.8	Very high	91.9	Very high	26 Å²	26	62.8 Å²	62.8	18%	0.176	35%	0.349	C	S	.	.	S	Bend	trans	-66.4	-44.3	-176.3	-72.1	0	0	0	0	113.4	N201 G213 T214 C234 R236	N201-C203 WeakPolarHBondContact OD1-CB 3.37Å; N201-C203 PolarHBondContact OD1-N 3.21Å; N201-C203 PolarHBondContact OD1-SG 2.71Å; C203-G213 WeakPolarHBondContact O-CA 3.4Å; C203-T214 PolarHBondContact O-N 2.68Å; C203-T214 PolarHBondContact O-OG1 3.13Å; C203-C234 VanDerWaalsContact CA-SG 3.53Å; C203-C234 HydrophobicContact CB-CB 3.65Å; C203-C234 WeakPolarHBondContact CB-SG 3.5Å; C203-C234 WeakPolarHBondContact SG-CB 3.26Å; C203-C234 CovalentContact SG-SG 2.02Å; C203-C234 PolarHBondContact SG-SG 3.08Å; C203-R236 PolarHBondContact O-NH1 2.74Å
204	E	94.8	Very high	91.8	Very high	109 Å²	109	63.1 Å²	63.1	51%	0.509	35%	0.351	S	S	.	.	S	Bend	trans	-105.4	159.1	-178.3	-58.5	-53.3	138.8	0	0	110.4	D206 S211 G213 R236	E204-D206 PolarHBondContact O-N 3.47Å; E204-S211 PolarHBondContact O-OG 2.92Å; E204-G213 VanDerWaalsContact C-CA 3.46Å; E204-G213 WeakPolarHBondContact O-CA 3.46Å; E204-R236 IonicContact OE1-CZ 3.46Å; E204-R236 IonicContact OE1-NE 3.68Å; E204-R236 IonicContact OE1-NH1 2.94Å; E204-R236 PolarHBondContact OE1-NH1 3.46Å
205	E	93.1	Very high	91.8	Very high	153 Å²	153	69.6 Å²	69.6	72%	0.715	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	130.8	171.4	-172	177.1	176.6	0	0	109.8	S211	E205-S211 WeakPolarHBondContact CA-O 3.42Å
206	D	90.1	Very high	91.8	Very high	59 Å²	59	70.8 Å²	70.8	32%	0.316	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	100.8	176.1	172.4	12.5	0	0	0	109.2	E204 A208 T209 G210 S211	E204-D206 PolarHBondContact O-N 3.47Å; D206-A208 PolarHBondContact O-N 3.28Å; D206-A208 VanDerWaalsContact OD1-CB 3.3Å; D206-A208 WeakPolarHBondContact OD1-CB 3.3Å; D206-A208 PolarHBondContact OD1-N 3.27Å; D206-T209 WeakPolarHBondContact CB-OG1 3.39Å; D206-T209 PolarHBondContact O-N 2.66Å; D206-T209 PolarHBondContact O-OG1 2.86Å; D206-T209 PolarHBondContact OD1-N 3.22Å; D206-T209 WeakPolarHBondContact OD2-CB 3.47Å; D206-T209 WeakPolarHBondContact OD2-CG2 3.44Å; D206-T209 PolarHBondContact OD2-OG1 2.85Å; D206-G210 WeakPolarHBondContact O-CA 3.27Å; D206-G210 PolarHBondContact O-N 2.86Å; D206-S211 PolarHBondContact N-O 2.9Å; D206-S211 PolarHBondContact O-N 2.81Å
207	A	88.7	Confident	92	Very high	93 Å²	93	75.4 Å²	75.4	77%	0.769	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.3	179.2	0	0	0	0	0	113.3
208	A	86.1	Confident	92.2	Very high	89 Å²	89	77.2 Å²	77.2	74%	0.736	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-35.5	-179.7	0	0	0	0	0	112	D206	D206-A208 PolarHBondContact O-N 3.28Å; D206-A208 VanDerWaalsContact OD1-CB 3.3Å; D206-A208 WeakPolarHBondContact OD1-CB 3.3Å; D206-A208 PolarHBondContact OD1-N 3.27Å
209	T	83.7	Confident	92.4	Very high	20 Å²	20	69 Å²	69	12%	0.123	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-15.2	173.5	57.1	0	0	0	0	113.1	P200 D206 S211	P200-T209 HydrophobicContact CB-CG2 3.88Å; P200-T209 HydrophobicContact CG-CG2 3.98Å; D206-T209 WeakPolarHBondContact CB-OG1 3.39Å; D206-T209 PolarHBondContact O-N 2.66Å; D206-T209 PolarHBondContact O-OG1 2.86Å; D206-T209 PolarHBondContact OD1-N 3.22Å; D206-T209 WeakPolarHBondContact OD2-CB 3.47Å; D206-T209 WeakPolarHBondContact OD2-CG2 3.44Å; D206-T209 PolarHBondContact OD2-OG1 2.85Å; T209-S211 VanDerWaalsContact C-N 3.3Å
210	G	84.9	Confident	92.5	Very high	26 Å²	26	70 Å²	70	27%	0.268	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	17.3	-172.9	0	0	0	0	0	113	D206	D206-G210 WeakPolarHBondContact O-CA 3.27Å; D206-G210 PolarHBondContact O-N 2.86Å
211	S	90.5	Very high	92.6	Very high	11 Å²	11	75.2 Å²	75.2	8%	0.077	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128	172.8	179.3	0	0	0	0	109.3	E204 E205 D206 T209 G213	E204-S211 PolarHBondContact O-OG 2.92Å; E205-S211 WeakPolarHBondContact CA-O 3.42Å; D206-S211 PolarHBondContact N-O 2.9Å; D206-S211 PolarHBondContact O-N 2.81Å; T209-S211 VanDerWaalsContact C-N 3.3Å; S211-G213 VanDerWaalsContact C-N 3.31Å; S211-G213 PolarHBondContact OG-N 3.37Å
212	V	93.3	Very high	92.6	Very high	125 Å²	125	75.2 Å²	75.2	76%	0.758	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	-0.6	174.2	-61.9	0	0	0	0	112.9
213	G	94.3	Very high	92.7	Very high	8 Å²	8	72 Å²	72	8%	0.082	41%	0.412	C	S	.	.			trans	74.8	-177.9	-173	0	0	0	0	0	113.8	Y202 C203 E204 S211	Y202-G213 CarbonylContact O-C 3.51Å; Y202-G213 WeakPolarHBondContact O-CA 3.08Å; C203-G213 WeakPolarHBondContact O-CA 3.4Å; E204-G213 VanDerWaalsContact C-CA 3.46Å; E204-G213 WeakPolarHBondContact O-CA 3.46Å; S211-G213 VanDerWaalsContact C-N 3.31Å; S211-G213 PolarHBondContact OG-N 3.37Å
214	T	96.1	Very high	92.6	Very high	9 Å²	9	75.8 Å²	75.8	6%	0.055	44%	0.436	C	S	.	.	S	Bend	trans	-109	-0.1	179.1	63.2	0	0	0	0	115	C203 G216 R217 M232 R236 C273	C203-T214 PolarHBondContact O-N 2.68Å; C203-T214 PolarHBondContact O-OG1 3.13Å; T214-G216 PolarHBondContact O-N 2.72Å; T214-R217 VanDerWaalsContact O-CB 3.29Å; T214-R217 WeakPolarHBondContact O-CB 3.48Å; T214-R217 WeakPolarHBondContact O-CG 3.31Å; T214-R217 PolarHBondContact O-N 3.49Å; T214-R217 VanDerWaalsContact O-N 3.16Å; T214-M232 WeakPolarHBondContact CB-O 3.44Å; T214-M232 WeakPolarHBondContact CG2-O 3.17Å; T214-M232 PolarHBondContact OG1-O 2.87Å; T214-R236 PolarHBondContact OG1-NH2 2.91Å; T214-C273 WeakPolarHBondContact O-CB 3.2Å
215	Q	95.9	Very high	92.4	Very high	141 Å²	141	76.7 Å²	76.7	66%	0.659	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	137	177.3	-176.4	167.1	34.1	0	0	111.3	R217 K274	Q215-R217 PolarHBondContact O-N 2.92Å; Q215-R217 VanDerWaalsContact O-N 3.15Å; Q215-K274 VanDerWaalsContact CD-OXT 3.32Å; Q215-K274 VanDerWaalsContact CG-OXT 3.3Å; Q215-K274 WeakPolarHBondContact CG-OXT 3.49Å; Q215-K274 PolarHBondContact NE2-OXT 3.36Å
216	G	94.9	Very high	92.3	Very high	50 Å²	50	74.8 Å²	74.8	52%	0.515	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	-3.2	-178.9	0	0	0	0	0	115.6	T214 C273	T214-G216 PolarHBondContact O-N 2.72Å; G216-C273 WeakPolarHBondContact CA-O 3.45Å; G216-C273 PolarHBondContact N-O 3.23Å
217	R	96.1	Very high	92.5	Very high	126 Å²	126	75.1 Å²	75.1	48%	0.475	44%	0.441	S	S	.	.			trans	-71.3	145.2	177.1	-65.6	-177.2	71	-166.4	-1.4	111.1	T214 Q215 M232 T272 C273	T214-R217 VanDerWaalsContact O-CB 3.29Å; T214-R217 WeakPolarHBondContact O-CB 3.48Å; T214-R217 WeakPolarHBondContact O-CG 3.31Å; T214-R217 PolarHBondContact O-N 3.49Å; T214-R217 VanDerWaalsContact O-N 3.16Å; Q215-R217 PolarHBondContact O-N 2.92Å; Q215-R217 VanDerWaalsContact O-N 3.15Å; R217-M232 HydrophobicContact CB-CE 4.1Å; R217-T272 CarbonylContact O-C 3.58Å; R217-T272 WeakPolarHBondContact O-CA 3.38Å; R217-C273 PolarHBondContact O-N 3.42Å
218	L	95.9	Very high	92.9	Very high	117 Å²	117	70.8 Å²	70.8	61%	0.613	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	139.2	170.7	-67.9	172.1	0	0	0	110.4	V270 F271 T272	L218-V270 HydrophobicContact CD2-CG1 3.25Å; L218-F271 WeakPolarHBondContact CA-O 3.43Å; L218-T272 HydrophobicContact CD2-CG2 3.91Å
219	C	96.1	Very high	93.3	Very high	15 Å²	15	66.7 Å²	66.7	10%	0.101	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	158.4	174.3	69.7	0	0	0	0	111.5	C229 M232 C233 F271	C219-C229 HydrophobicContact CB-CB 3.81Å; C219-C229 WeakPolarHBondContact CB-SG 3.39Å; C219-C229 VanDerWaalsContact SG-CA 3.52Å; C219-C229 WeakPolarHBondContact SG-CB 3.49Å; C219-C229 CovalentContact SG-SG 2.04Å; C219-C229 PolarHBondContact SG-SG 2.66Å; C219-M232 HydrophobicContact CB-CB 3.93Å; C219-M232 HydrophobicContact CB-CG 4.32Å; C219-C233 VanDerWaalsContact SG-SG 3.65Å; C219-F271 PolarHBondContact N-O 2.9Å
220	N	95.7	Very high	93.8	Very high	64 Å²	64	72 Å²	72	34%	0.342	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-104.4	111.6	-179.9	-174.3	-10.1	0	0	0	110	T222 S223 D227 G228 C229	N220-T222 VanDerWaalsContact C-N 3.25Å; N220-T222 PolarHBondContact O-N 3.33Å; N220-T222 PolarHBondContact OD1-N 2.99Å; N220-T222 PolarHBondContact OD1-OG1 3.41Å; N220-S223 PolarHBondContact O-N 3.48Å; N220-D227 WeakPolarHBondContact CB-OD2 3.49Å; N220-D227 PolarHBondContact N-O 3.16Å; N220-D227 PolarHBondContact ND2-OD2 3.02Å; N220-G228 VanDerWaalsContact O-CA 3.25Å; N220-G228 WeakPolarHBondContact O-CA 3.29Å; N220-C229 PolarHBondContact O-N 3.43Å; N220-C229 VanDerWaalsContact O-N 3.15Å
221	R	93.9	Very high	94.3	Very high	135 Å²	135	75.8 Å²	75.8	51%	0.509	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.7	-177.1	-174.6	179	66.2	161.4	-5.6	113.2	Y238 E269 F271	R221-Y238 VanDerWaalsContact CD-OH 3.31Å; R221-Y238 WeakPolarHBondContact CD-OH 3.2Å; R221-Y238 WeakPolarHBondContact CG-OH 3.3Å; R221-E269 IonicContact NH2-OE2 3.19Å; R221-F271 HydrophobicContact CB-CD2 3.93Å; R221-F271 HydrophobicContact CB-CE2 3.83Å; R221-F271 HydrophobicContact CB-CG 4.35Å; R221-F271 HydrophobicContact CB-CZ 4.13Å
222	T	92.8	Very high	94.6	Very high	117 Å²	117	76.5 Å²	76.5	72%	0.718	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-9.7	-174.9	57.1	0	0	0	0	113.5	N220	N220-T222 VanDerWaalsContact C-N 3.25Å; N220-T222 PolarHBondContact O-N 3.33Å; N220-T222 PolarHBondContact OD1-N 2.99Å; N220-T222 PolarHBondContact OD1-OG1 3.41Å
223	S	95	Very high	94.8	Very high	19 Å²	19	70.5 Å²	70.5	13%	0.133	38%	0.379	C	S	.	.			trans	-84.5	131.4	-178.4	-177.6	0	0	0	0	111.1	N220 H225 D227 G228	N220-S223 PolarHBondContact O-N 3.48Å; S223-H225 VanDerWaalsContact C-N 3.28Å; S223-H225 PolarHBondContact OG-N 3.1Å; S223-H225 VanDerWaalsContact OG-N 3.13Å; S223-D227 WeakPolarHBondContact CB-OD1 3.38Å; S223-D227 WeakPolarHBondContact CB-OD2 3.21Å; S223-D227 VanDerWaalsContact OG-CG 3.3Å; S223-D227 PolarHBondContact OG-OD1 2.95Å; S223-D227 PolarHBondContact OG-OD2 2.7Å; S223-G228 WeakPolarHBondContact O-CA 3.34Å
224	P	92.2	Very high	94.8	Very high	105 Å²	105	72.4 Å²	72.4	68%	0.682	39%	0.39	S	S	*	.			trans	-84.2	-2	170.3	35.6	-35.6	0	0	0	112.9
225	H	91.8	Very high	94.8	Very high	128 Å²	128	75.2 Å²	75.2	59%	0.593	42%	0.42	S	S	*	.	S	Bend	trans	-93.2	-170.8	-174.4	-59.5	-57	0	0	0	111.8	S223 D227 G228 L231	S223-H225 VanDerWaalsContact C-N 3.28Å; S223-H225 PolarHBondContact OG-N 3.1Å; S223-H225 VanDerWaalsContact OG-N 3.13Å; H225-D227 PolarHBondContact O-N 2.76Å; H225-D227 VanDerWaalsContact O-N 3.08Å; H225-G228 WeakPolarHBondContact O-CA 3.29Å; H225-G228 PolarHBondContact O-N 3.2Å; H225-L231 WeakPolarHBondContact O-CD1 3.34Å
226	T	91.4	Very high	94.7	Very high	113 Å²	113	71.7 Å²	71.7	69%	0.693	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.4	-175.5	56.3	0	0	0	0	114.1	G228 M232	T226-G228 VanDerWaalsContact C-N 3.35Å; T226-M232 WeakPolarHBondContact O-CG 3.13Å
227	D	93.3	Very high	94.7	Very high	67 Å²	67	70.6 Å²	70.6	36%	0.358	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-9.1	170.4	67.1	-48.9	0	0	0	112.8	N220 S223 H225 M232	N220-D227 WeakPolarHBondContact CB-OD2 3.49Å; N220-D227 PolarHBondContact N-O 3.16Å; N220-D227 PolarHBondContact ND2-OD2 3.02Å; S223-D227 WeakPolarHBondContact CB-OD1 3.38Å; S223-D227 WeakPolarHBondContact CB-OD2 3.21Å; S223-D227 VanDerWaalsContact OG-CG 3.3Å; S223-D227 PolarHBondContact OG-OD1 2.95Å; S223-D227 PolarHBondContact OG-OD2 2.7Å; H225-D227 PolarHBondContact O-N 2.76Å; H225-D227 VanDerWaalsContact O-N 3.08Å; D227-M232 VanDerWaalsContact C-CG 3.43Å; D227-M232 WeakPolarHBondContact O-CG 3.34Å
228	G	96.6	Very high	94.8	Very high	2 Å²	2	68 Å²	68	2%	0.021	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-61.6	141.9	176.9	0	0	0	0	0	112.7	N220 S223 H225 T226 D230 L231 M232	N220-G228 VanDerWaalsContact O-CA 3.25Å; N220-G228 WeakPolarHBondContact O-CA 3.29Å; S223-G228 WeakPolarHBondContact O-CA 3.34Å; H225-G228 WeakPolarHBondContact O-CA 3.29Å; H225-G228 PolarHBondContact O-N 3.2Å; T226-G228 VanDerWaalsContact C-N 3.35Å; G228-D230 VanDerWaalsContact C-N 3.25Å; G228-D230 PolarHBondContact O-N 3.47Å; G228-L231 PolarHBondContact O-N 2.85Å; G228-M232 VanDerWaalsContact O-CB 3.27Å; G228-M232 WeakPolarHBondContact O-CB 3.47Å; G228-M232 WeakPolarHBondContact O-CG 3.14Å; G228-M232 PolarHBondContact O-N 2.9Å
229	C	96.1	Very high	94.8	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.02	37%	0.37	C	S	.	.	H	α-helix	trans	-60.3	-32.3	-178.9	-66.9	0	0	0	0	113.9	C219 N220 L231 C233 Y238	C219-C229 HydrophobicContact CB-CB 3.81Å; C219-C229 WeakPolarHBondContact CB-SG 3.39Å; C219-C229 VanDerWaalsContact SG-CA 3.52Å; C219-C229 WeakPolarHBondContact SG-CB 3.49Å; C219-C229 CovalentContact SG-SG 2.04Å; C219-C229 PolarHBondContact SG-SG 2.66Å; N220-C229 PolarHBondContact O-N 3.43Å; N220-C229 VanDerWaalsContact O-N 3.15Å; C229-L231 PolarHBondContact O-N 3.29Å; C229-C233 WeakPolarHBondContact O-CB 3.37Å; C229-C233 PolarHBondContact O-N 3.07Å; C229-C233 VanDerWaalsContact O-N 3.08Å; C229-C233 PolarHBondContact O-SG 3.48Å; C229-Y238 HydrophobicContact CB-CD1 3.4Å; C229-Y238 HydrophobicContact CB-CE1 3.62Å; C229-Y238 HydrophobicContact CB-CG 4.09Å
230	D	94.2	Very high	94.7	Very high	131 Å²	131	68.5 Å²	68.5	70%	0.701	39%	0.385	S	S	*	.	H	α-helix	trans	-64.9	-41	178.4	-60.9	-27.9	0	0	0	112	G228 C234 G235	G228-D230 VanDerWaalsContact C-N 3.25Å; G228-D230 PolarHBondContact O-N 3.47Å; D230-C234 PolarHBondContact O-N 3.32Å; D230-G235 PolarHBondContact O-N 3.42Å
231	L	94.9	Very high	94.6	Very high	105 Å²	105	68.9 Å²	68.9	55%	0.55	39%	0.385	S	S	.	.	H	α-helix	trans	-85.7	-46.9	-179.5	-71.7	172.9	0	0	0	112.6	H225 G228 C229 C233 C234	H225-L231 WeakPolarHBondContact O-CD1 3.34Å; G228-L231 PolarHBondContact O-N 2.85Å; C229-L231 PolarHBondContact O-N 3.29Å; L231-C233 VanDerWaalsContact C-N 3.29Å; L231-C233 PolarHBondContact O-N 2.77Å; L231-C234 PolarHBondContact O-N 3.44Å
232	M	95.9	Very high	94.5	Very high	26 Å²	26	69.1 Å²	69.1	13%	0.128	39%	0.392	C	S	.	.	H	α-helix	trans	-59.2	-40.3	178.5	-77.9	-66.8	-69.6	0	0	112.2	T214 R217 C219 T226 D227 G228 C234	T214-M232 WeakPolarHBondContact CB-O 3.44Å; T214-M232 WeakPolarHBondContact CG2-O 3.17Å; T214-M232 PolarHBondContact OG1-O 2.87Å; R217-M232 HydrophobicContact CB-CE 4.1Å; C219-M232 HydrophobicContact CB-CB 3.93Å; C219-M232 HydrophobicContact CB-CG 4.32Å; T226-M232 WeakPolarHBondContact O-CG 3.13Å; D227-M232 VanDerWaalsContact C-CG 3.43Å; D227-M232 WeakPolarHBondContact O-CG 3.34Å; G228-M232 VanDerWaalsContact O-CB 3.27Å; G228-M232 WeakPolarHBondContact O-CB 3.47Å; G228-M232 WeakPolarHBondContact O-CG 3.14Å; G228-M232 PolarHBondContact O-N 2.9Å; M232-C234 VanDerWaalsContact C-N 3.34Å
233	C	96.9	Very high	94.3	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	5	-177.2	-46.9	0	0	0	0	112.8	C219 C229 L231 G235 R236 G237 C273	C219-C233 VanDerWaalsContact SG-SG 3.65Å; C229-C233 WeakPolarHBondContact O-CB 3.37Å; C229-C233 PolarHBondContact O-N 3.07Å; C229-C233 VanDerWaalsContact O-N 3.08Å; C229-C233 PolarHBondContact O-SG 3.48Å; L231-C233 VanDerWaalsContact C-N 3.29Å; L231-C233 PolarHBondContact O-N 2.77Å; C233-G235 PolarHBondContact O-N 2.9Å; C233-G235 VanDerWaalsContact O-N 3.11Å; C233-R236 WeakPolarHBondContact O-CB 3.38Å; C233-R236 WeakPolarHBondContact O-CG 3.13Å; C233-R236 PolarHBondContact O-N 3.06Å; C233-G237 WeakPolarHBondContact CB-O 3.09Å; C233-C273 WeakPolarHBondContact CA-SG 3.42Å; C233-C273 HydrophobicContact CB-CB 3.58Å; C233-C273 WeakPolarHBondContact CB-SG 3.41Å; C233-C273 PolarHBondContact N-SG 3.49Å; C233-C273 VanDerWaalsContact N-SG 3.41Å; C233-C273 WeakPolarHBondContact SG-CA 3.15Å; C233-C273 WeakPolarHBondContact SG-CB 3.35Å; C233-C273 CovalentContact SG-SG 2.04Å; C233-C273 PolarHBondContact SG-SG 3.39Å
234	C	96	Very high	94.2	Very high	47 Å²	47	72.9 Å²	72.9	32%	0.318	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	36.8	174.2	-54.1	0	0	0	0	114	C203 D230 L231 M232 R236	C203-C234 VanDerWaalsContact CA-SG 3.53Å; C203-C234 HydrophobicContact CB-CB 3.65Å; C203-C234 WeakPolarHBondContact CB-SG 3.5Å; C203-C234 WeakPolarHBondContact SG-CB 3.26Å; C203-C234 CovalentContact SG-SG 2.02Å; C203-C234 PolarHBondContact SG-SG 3.08Å; D230-C234 PolarHBondContact O-N 3.32Å; L231-C234 PolarHBondContact O-N 3.44Å; M232-C234 VanDerWaalsContact C-N 3.34Å; C234-R236 VanDerWaalsContact C-N 3.29Å; C234-R236 PolarHBondContact O-N 3.19Å
235	G	94.2	Very high	94.2	Very high	68 Å²	68	73.8 Å²	73.8	70%	0.701	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	-0.5	-178.4	0	0	0	0	0	116.4	D230 C233 G237	D230-G235 PolarHBondContact O-N 3.42Å; C233-G235 PolarHBondContact O-N 2.9Å; C233-G235 VanDerWaalsContact O-N 3.11Å; G235-G237 PolarHBondContact O-N 3.29Å
236	R	95.5	Very high	94.4	Very high	68 Å²	68	72 Å²	72	26%	0.257	39%	0.392	S	S	.	.	S	Bend	trans	-72	-11.2	177.1	-59.4	-170.9	-58.5	-90.7	-8.5	113.7	C203 E204 T214 C233 C234 K274	C203-R236 PolarHBondContact O-NH1 2.74Å; E204-R236 IonicContact OE1-CZ 3.46Å; E204-R236 IonicContact OE1-NE 3.68Å; E204-R236 IonicContact OE1-NH1 2.94Å; E204-R236 PolarHBondContact OE1-NH1 3.46Å; T214-R236 PolarHBondContact OG1-NH2 2.91Å; C233-R236 WeakPolarHBondContact O-CB 3.38Å; C233-R236 WeakPolarHBondContact O-CG 3.13Å; C233-R236 PolarHBondContact O-N 3.06Å; C234-R236 VanDerWaalsContact C-N 3.29Å; C234-R236 PolarHBondContact O-N 3.19Å; R236-K274 PolarHBondContact NE-O 3Å; R236-K274 PolarHBondContact NH2-O 3.38Å
237	G	95.2	Very high	94.5	Very high	27 Å²	27	71.5 Å²	71.5	28%	0.278	38%	0.377	S	S	.	.			trans	79.4	-174.4	-171.1	0	0	0	0	0	112.8	C233 G235 K274	C233-G237 WeakPolarHBondContact CB-O 3.09Å; G235-G237 PolarHBondContact O-N 3.29Å; G237-K274 PolarHBondContact O-N 2.87Å; G237-K274 VanDerWaalsContact O-N 3.14Å
238	Y	96.5	Very high	94.7	Very high	72 Å²	72	73.4 Å²	73.4	28%	0.282	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	156.1	-173.8	51.7	-90.5	0	0	0	111.5	R221 C229 F271 T272 K274	R221-Y238 VanDerWaalsContact CD-OH 3.31Å; R221-Y238 WeakPolarHBondContact CD-OH 3.2Å; R221-Y238 WeakPolarHBondContact CG-OH 3.3Å; C229-Y238 HydrophobicContact CB-CD1 3.4Å; C229-Y238 HydrophobicContact CB-CE1 3.62Å; C229-Y238 HydrophobicContact CB-CG 4.09Å; Y238-F271 HydrophobicContact CD2-CB 3.99Å; Y238-F271 AromaticContact CD2-CD1 3.56Å; Y238-F271 HydrophobicContact CD2-CD1 3.56Å; Y238-F271 HydrophobicContact CD2-CE1 4.49Å; Y238-F271 HydrophobicContact CD2-CG 4.15Å; Y238-F271 AromaticContact CE2-CD1 3.49Å; Y238-F271 HydrophobicContact CE2-CD1 3.49Å; Y238-F271 VanDerWaalsContact CE2-CD1 3.49Å; Y238-F271 HydrophobicContact CE2-CE1 4.02Å; Y238-F271 HydrophobicContact CE2-CG 4.27Å; Y238-F271 HydrophobicContact CG-CB 4.49Å; Y238-T272 CarbonylContact C-O 3.57Å; Y238-T272 WeakPolarHBondContact CA-O 3.45Å; Y238-T272 VanDerWaalsContact CB-O 3.27Å; Y238-T272 WeakPolarHBondContact CB-O 3.32Å; Y238-K274 WeakPolarHBondContact O-CE 3.29Å
239	N	95.9	Very high	94.7	Very high	71 Å²	71	74 Å²	74	38%	0.38	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	147.2	169.5	-63.1	-43.2	0	0	0	109.6	F271 T272 K274	N239-F271 VanDerWaalsContact O-CA 3.3Å; N239-F271 WeakPolarHBondContact O-CA 3.37Å; N239-T272 PolarHBondContact N-O 3.25Å; N239-T272 PolarHBondContact O-N 3.37Å; N239-K274 WeakPolarHBondContact OD1-CE 3.5Å
240	T	95.1	Very high	94.7	Very high	70 Å²	70	79.2 Å²	79.2	43%	0.429	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.4	176	-57.8	0	0	0	0	109.2	E269 F271	T240-E269 HydrophobicContact CG2-CB 4.25Å; T240-E269 HydrophobicContact CG2-CG 4.4Å; T240-F271 HydrophobicContact CG2-CD1 4.09Å; T240-F271 HydrophobicContact CG2-CE1 3.69Å; T240-F271 HydrophobicContact CG2-CZ 4.49Å; T240-F271 WeakPolarHBondContact OG1-CD1 3.39Å; T240-F271 WeakPolarHBondContact OG1-CE1 3.46Å
241	H	92.6	Very high	94.8	Very high	72 Å²	72	76.3 Å²	76.3	33%	0.333	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.1	176.3	-59.9	-80.8	0	0	0	109.6	Y243 E269 V270 T272	H241-Y243 HydrophobicContact CB-CD2 3.96Å; H241-Y243 HydrophobicContact CB-CE2 3.24Å; H241-E269 WeakPolarHBondContact O-CA 3.2Å; H241-V270 PolarHBondContact N-O 3.34Å; H241-V270 PolarHBondContact O-N 3.12Å; H241-T272 PolarHBondContact CD2-OG1 3.09Å; H241-T272 PolarHBondContact NE2-OG1 2.93Å
242	Q	92.3	Very high	94.8	Very high	140 Å²	140	78.2 Å²	78.2	65%	0.654	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.1	175	-68.6	-174.6	-9.6	0	0	109.9	E269	Q242-E269 HydrophobicContact CG-CG 4.41Å
243	Y	88.8	Confident	94.8	Very high	131 Å²	131	83.3 Å²	83.3	51%	0.514	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.7	176.4	-66.1	-80.5	0	0	0	110.5	H241 T268 V270	H241-Y243 HydrophobicContact CB-CD2 3.96Å; H241-Y243 HydrophobicContact CB-CE2 3.24Å; Y243-T268 PolarHBondContact N-O 3.4Å; Y243-T268 PolarHBondContact O-N 3.15Å; Y243-T268 VanDerWaalsContact O-O 3.09Å; Y243-T268 PolarHBondContact O-OG1 3.46Å; Y243-V270 HydrophobicContact CD2-CB 4.05Å; Y243-V270 HydrophobicContact CD2-CG2 3.83Å; Y243-V270 HydrophobicContact CE2-CB 4.27Å; Y243-V270 HydrophobicContact CE2-CG2 4.47Å
244	T	92.6	Very high	94.6	Very high	84 Å²	84	87.2 Å²	87.2	52%	0.515	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	108.2	172.6	-58.7	0	0	0	0	108.6	V246 E266	T244-V246 HydrophobicContact CG2-CG2 4.25Å; T244-E266 CarbonylContact C-O 3.55Å; T244-E266 WeakPolarHBondContact CA-O 3.49Å
245	K	92.7	Very high	94.2	Very high	125 Å²	125	96.1 Å²	96.1	54%	0.543	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	127.3	173.7	-173.3	-179.3	-179.6	-176.8	0	108.5	W247 S265 E266 T268	K245-W247 HydrophobicContact CB-CZ3 4.42Å; K245-W247 HydrophobicContact CD-CE3 4.48Å; K245-W247 HydrophobicContact CG-CE3 4.14Å; K245-W247 HydrophobicContact CG-CZ3 4.4Å; K245-W247 WeakPolarHBondContact O-CZ3 3.48Å; K245-S265 CarbonylContact O-C 3.52Å; K245-S265 WeakPolarHBondContact O-CA 3.4Å; K245-E266 PolarHBondContact N-O 2.94Å; K245-E266 PolarHBondContact O-N 3.37Å; K245-T268 HydrophobicContact CB-CG2 4.24Å
246	V	94.9	Very high	93.5	Very high	91 Å²	91	97.1 Å²	97.1	55%	0.552	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	132.9	179.8	-176.5	0	0	0	0	109	T244 T263 C264	T244-V246 HydrophobicContact CG2-CG2 4.25Å; V246-T263 HydrophobicContact CG1-CG2 3.34Å; V246-C264 CarbonylContact C-O 3.6Å; V246-C264 WeakPolarHBondContact CA-O 3.36Å; V246-C264 WeakPolarHBondContact CG1-O 3.45Å
247	W	95.5	Very high	93.2	Very high	101 Å²	101	99.3 Å²	99.3	38%	0.383	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	163.1	177.5	70.2	100.7	0	0	0	112.2	K245 C264 E266	K245-W247 HydrophobicContact CB-CZ3 4.42Å; K245-W247 HydrophobicContact CD-CE3 4.48Å; K245-W247 HydrophobicContact CG-CE3 4.14Å; K245-W247 HydrophobicContact CG-CZ3 4.4Å; K245-W247 WeakPolarHBondContact O-CZ3 3.48Å; W247-C264 HydrophobicContact CD2-CB 4.37Å; W247-C264 HydrophobicContact CZ2-CB 4.22Å; W247-C264 PolarHBondContact N-O 2.73Å; W247-C264 PolarHBondContact O-N 2.92Å; W247-E266 HydrophobicContact CH2-CB 3.49Å; W247-E266 VanDerWaalsContact CH2-CB 3.49Å; W247-E266 HydrophobicContact CZ3-CB 3.55Å
248	Q	96.8	Very high	93	Very high	108 Å²	108	103.3 Å²	103.3	51%	0.505	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.3	173.4	-65.1	-59.4	-40.9	0	0	110	C261 N262 T263	Q248-C261 HydrophobicContact CB-CB 3.87Å; Q248-C261 HydrophobicContact CG-CB 4.37Å; Q248-N262 CarbonylContact C-O 3.6Å; Q248-N262 WeakPolarHBondContact CA-O 3.43Å; Q248-N262 PolarHBondContact OE1-O 3.36Å; Q248-T263 PolarHBondContact NE2-OG1 2.77Å
249	C	96.3	Very high	93	Very high	14 Å²	14	104.1 Å²	104.1	10%	0.095	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	169.1	-175.7	65.1	0	0	0	0	110.4	C251 N262 C264	C249-C251 PolarHBondContact O-N 3.14Å; C249-C251 VanDerWaalsContact O-N 3.1Å; C249-N262 PolarHBondContact N-O 3.02Å; C249-N262 PolarHBondContact O-N 2.85Å; C249-N262 PolarHBondContact SG-O 3.41Å; C249-N262 VanDerWaalsContact SG-O 3.39Å; C249-C264 HydrophobicContact CB-CB 3.63Å; C249-C264 WeakPolarHBondContact CB-SG 2.91Å; C249-C264 WeakPolarHBondContact SG-CB 3.41Å; C249-C264 PolarHBondContact SG-N 2.92Å; C249-C264 CovalentContact SG-SG 2Å; C249-C264 PolarHBondContact SG-SG 3.44Å
250	N	96	Very high	93	Very high	113 Å²	113	107.3 Å²	107.3	60%	0.604	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.9	38.3	174.8	-60.1	-46.1	0	0	0	113.1	K252	N250-K252 PolarHBondContact O-N 3.4Å
251	C	96.3	Very high	93.1	Very high	69 Å²	69	105.7 Å²	105.7	47%	0.466	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	123.3	-177.1	-65.7	0	0	0	0	111.2	C249 V259 K260 C261	C249-C251 PolarHBondContact O-N 3.14Å; C249-C251 VanDerWaalsContact O-N 3.1Å; C251-V259 HydrophobicContact CB-CG1 3.71Å; C251-K260 WeakPolarHBondContact CA-O 3.35Å; C251-C261 HydrophobicContact CB-CB 4.12Å; C251-C261 WeakPolarHBondContact CB-SG 3Å; C251-C261 WeakPolarHBondContact SG-CB 3.41Å; C251-C261 CovalentContact SG-SG 2.04Å; C251-C261 PolarHBondContact SG-SG 3.32Å
252	K	95.4	Very high	93.4	Very high	146 Å²	146	106.6 Å²	106.6	64%	0.635	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.1	175.8	-65	-174.5	179.8	-175.7	0	109.8	N250 K260	N250-K252 PolarHBondContact O-N 3.4Å; K252-K260 PolarHBondContact N-O 2.93Å; K252-K260 PolarHBondContact O-N 2.92Å
253	F	95.8	Very high	93.6	Very high	132 Å²	132	104.5 Å²	104.5	58%	0.579	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	125.9	169.9	-178.4	-103	0	0	0	109.2	W255 V259	F253-W255 HydrophobicContact CE1-CB 4.5Å; F253-V259 HydrophobicContact CD2-CG2 4.11Å
254	Q	92.9	Very high	94	Very high	83 Å²	83	100 Å²	100	39%	0.388	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.2	172.3	-64	-67.6	-17.7	0	0	107.7	C256 C257 F258	Q254-C256 PolarHBondContact O-N 3.13Å; Q254-C257 PolarHBondContact O-N 2.83Å; Q254-F258 HydrophobicContact CB-CD2 4.17Å; Q254-F258 HydrophobicContact CB-CE1 4.21Å; Q254-F258 HydrophobicContact CB-CE2 3.79Å; Q254-F258 HydrophobicContact CB-CZ 3.81Å; Q254-F258 HydrophobicContact CG-CD2 4.28Å; Q254-F258 HydrophobicContact CG-CE2 3.72Å; Q254-F258 HydrophobicContact CG-CZ 4.09Å; Q254-F258 PolarHBondContact N-O 2.91Å
255	W	87.5	Confident	94.1	Very high	234 Å²	234	99.9 Å²	99.9	89%	0.886	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	123.8	176.4	-165.5	86.3	0	0	0	108.5	F253	F253-W255 HydrophobicContact CE1-CB 4.5Å
256	C	78.6	Confident	94.2	Very high	88 Å²	88	99.1 Å²	99.1	60%	0.595	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.6	16.4	-152.1	86.6	0	0	0	0	116	Q254	Q254-C256 PolarHBondContact O-N 3.13Å
257	C	89.1	Confident	94.2	Very high	114 Å²	114	104.7 Å²	104.7	77%	0.77	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	24.3	147.5	-53.3	0	0	0	0	118.3	Q254	Q254-C257 PolarHBondContact O-N 2.83Å
258	F	92.4	Very high	94	Very high	111 Å²	111	101.9 Å²	101.9	49%	0.487	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.6	171.7	61.1	-87.2	0	0	0	112.3	Q254	Q254-F258 HydrophobicContact CB-CD2 4.17Å; Q254-F258 HydrophobicContact CB-CE1 4.21Å; Q254-F258 HydrophobicContact CB-CE2 3.79Å; Q254-F258 HydrophobicContact CB-CZ 3.81Å; Q254-F258 HydrophobicContact CG-CD2 4.28Å; Q254-F258 HydrophobicContact CG-CE2 3.72Å; Q254-F258 HydrophobicContact CG-CZ 4.09Å; Q254-F258 PolarHBondContact N-O 2.91Å
259	V	95.9	Very high	93.8	Very high	90 Å²	90	101 Å²	101	55%	0.545	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124	174.8	-179.2	0	0	0	0	107.7	C251 F253	C251-V259 HydrophobicContact CB-CG1 3.71Å; F253-V259 HydrophobicContact CD2-CG2 4.11Å
260	K	95.9	Very high	93.7	Very high	137 Å²	137	102.4 Å²	102.4	60%	0.596	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	120	172.4	-171.4	174.6	-178.9	176.9	0	108.7	C251 K252	C251-K260 WeakPolarHBondContact CA-O 3.35Å; K252-K260 PolarHBondContact N-O 2.93Å; K252-K260 PolarHBondContact O-N 2.92Å
261	C	97.5	Very high	93.7	Very high	37 Å²	37	98.1 Å²	98.1	25%	0.25	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	156.6	177.8	-57.2	0	0	0	0	110.7	Q248 C251	Q248-C261 HydrophobicContact CB-CB 3.87Å; Q248-C261 HydrophobicContact CG-CB 4.37Å; C251-C261 HydrophobicContact CB-CB 4.12Å; C251-C261 WeakPolarHBondContact CB-SG 3Å; C251-C261 WeakPolarHBondContact SG-CB 3.41Å; C251-C261 CovalentContact SG-SG 2.04Å; C251-C261 PolarHBondContact SG-SG 3.32Å
262	N	97.6	Very high	93.7	Very high	91 Å²	91	95.9 Å²	95.9	49%	0.487	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	155.7	167.2	-65.5	-12.7	0	0	0	109.2	Q248 C249	Q248-N262 CarbonylContact C-O 3.6Å; Q248-N262 WeakPolarHBondContact CA-O 3.43Å; Q248-N262 PolarHBondContact OE1-O 3.36Å; C249-N262 PolarHBondContact N-O 3.02Å; C249-N262 PolarHBondContact O-N 2.85Å; C249-N262 PolarHBondContact SG-O 3.41Å; C249-N262 VanDerWaalsContact SG-O 3.39Å
263	T	97	Very high	93.8	Very high	95 Å²	95	89 Å²	89	58%	0.583	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.1	169.9	-58.4	0	0	0	0	108.6	V246 Q248	V246-T263 HydrophobicContact CG1-CG2 3.34Å; Q248-T263 PolarHBondContact NE2-OG1 2.77Å
264	C	96.8	Very high	93.7	Very high	36 Å²	36	88 Å²	88	24%	0.243	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	154.9	173.2	-76.8	0	0	0	0	110.5	V246 W247 C249	V246-C264 CarbonylContact C-O 3.6Å; V246-C264 WeakPolarHBondContact CA-O 3.36Å; V246-C264 WeakPolarHBondContact CG1-O 3.45Å; W247-C264 HydrophobicContact CD2-CB 4.37Å; W247-C264 HydrophobicContact CZ2-CB 4.22Å; W247-C264 PolarHBondContact N-O 2.73Å; W247-C264 PolarHBondContact O-N 2.92Å; C249-C264 HydrophobicContact CB-CB 3.63Å; C249-C264 WeakPolarHBondContact CB-SG 2.91Å; C249-C264 WeakPolarHBondContact SG-CB 3.41Å; C249-C264 PolarHBondContact SG-N 2.92Å; C249-C264 CovalentContact SG-SG 2Å; C249-C264 PolarHBondContact SG-SG 3.44Å
265	S	95.3	Very high	93.8	Very high	82 Å²	82	88.3 Å²	88.3	57%	0.573	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	142.9	173.8	63.3	0	0	0	0	111.7	K245	K245-S265 CarbonylContact O-C 3.52Å; K245-S265 WeakPolarHBondContact O-CA 3.4Å
266	E	95.1	Very high	94.1	Very high	110 Å²	110	80.6 Å²	80.6	51%	0.514	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.5	175.3	178.9	178.1	-139.9	0	0	110	T244 K245 W247 T268	T244-E266 CarbonylContact C-O 3.55Å; T244-E266 WeakPolarHBondContact CA-O 3.49Å; K245-E266 PolarHBondContact N-O 2.94Å; K245-E266 PolarHBondContact O-N 3.37Å; W247-E266 HydrophobicContact CH2-CB 3.49Å; W247-E266 VanDerWaalsContact CH2-CB 3.49Å; W247-E266 HydrophobicContact CZ3-CB 3.55Å; E266-T268 HydrophobicContact CG-CG2 4.19Å; E266-T268 PolarHBondContact O-N 2.85Å
267	R	94.1	Very high	95	Very high	208 Å²	208	80.2 Å²	80.2	79%	0.785	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	117.7	172	-70	-176.4	177.3	177.2	-0.3	108.6
268	T	91.7	Very high	95.3	Very high	41 Å²	41	78.2 Å²	78.2	25%	0.252	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.1	-179.8	54.9	0	0	0	0	110.5	Y243 K245 E266	Y243-T268 PolarHBondContact N-O 3.4Å; Y243-T268 PolarHBondContact O-N 3.15Å; Y243-T268 VanDerWaalsContact O-O 3.09Å; Y243-T268 PolarHBondContact O-OG1 3.46Å; K245-T268 HydrophobicContact CB-CG2 4.24Å; E266-T268 HydrophobicContact CG-CG2 4.19Å; E266-T268 PolarHBondContact O-N 2.85Å
269	E	93	Very high	95.5	Very high	91 Å²	91	76.2 Å²	76.2	43%	0.425	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	137.4	173	-60.7	-173.8	144.4	0	0	110.3	R221 T240 H241 Q242 F271	R221-E269 IonicContact NH2-OE2 3.19Å; T240-E269 HydrophobicContact CG2-CB 4.25Å; T240-E269 HydrophobicContact CG2-CG 4.4Å; H241-E269 WeakPolarHBondContact O-CA 3.2Å; Q242-E269 HydrophobicContact CG-CG 4.41Å; E269-F271 HydrophobicContact CB-CE1 4.4Å; E269-F271 HydrophobicContact CB-CE2 4.1Å; E269-F271 HydrophobicContact CB-CZ 3.76Å
270	V	93.7	Very high	95.5	Very high	43 Å²	43	75.3 Å²	75.3	26%	0.261	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.3	176	179.2	0	0	0	0	108.1	L218 H241 Y243	L218-V270 HydrophobicContact CD2-CG1 3.25Å; H241-V270 PolarHBondContact N-O 3.34Å; H241-V270 PolarHBondContact O-N 3.12Å; Y243-V270 HydrophobicContact CD2-CB 4.05Å; Y243-V270 HydrophobicContact CD2-CG2 3.83Å; Y243-V270 HydrophobicContact CE2-CB 4.27Å; Y243-V270 HydrophobicContact CE2-CG2 4.47Å
271	F	95.8	Very high	95.5	Very high	22 Å²	22	70.9 Å²	70.9	10%	0.096	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.3	-176.9	-51.1	-82.6	0	0	0	110.4	L218 C219 R221 Y238 N239 T240 E269	L218-F271 WeakPolarHBondContact CA-O 3.43Å; C219-F271 PolarHBondContact N-O 2.9Å; R221-F271 HydrophobicContact CB-CD2 3.93Å; R221-F271 HydrophobicContact CB-CE2 3.83Å; R221-F271 HydrophobicContact CB-CG 4.35Å; R221-F271 HydrophobicContact CB-CZ 4.13Å; Y238-F271 HydrophobicContact CD2-CB 3.99Å; Y238-F271 AromaticContact CD2-CD1 3.56Å; Y238-F271 HydrophobicContact CD2-CD1 3.56Å; Y238-F271 HydrophobicContact CD2-CE1 4.49Å; Y238-F271 HydrophobicContact CD2-CG 4.15Å; Y238-F271 AromaticContact CE2-CD1 3.49Å; Y238-F271 HydrophobicContact CE2-CD1 3.49Å; Y238-F271 VanDerWaalsContact CE2-CD1 3.49Å; Y238-F271 HydrophobicContact CE2-CE1 4.02Å; Y238-F271 HydrophobicContact CE2-CG 4.27Å; Y238-F271 HydrophobicContact CG-CB 4.49Å; N239-F271 VanDerWaalsContact O-CA 3.3Å; N239-F271 WeakPolarHBondContact O-CA 3.37Å; T240-F271 HydrophobicContact CG2-CD1 4.09Å; T240-F271 HydrophobicContact CG2-CE1 3.69Å; T240-F271 HydrophobicContact CG2-CZ 4.49Å; T240-F271 WeakPolarHBondContact OG1-CD1 3.39Å; T240-F271 WeakPolarHBondContact OG1-CE1 3.46Å; E269-F271 HydrophobicContact CB-CE1 4.4Å; E269-F271 HydrophobicContact CB-CE2 4.1Å; E269-F271 HydrophobicContact CB-CZ 3.76Å
272	T	96.6	Very high	95.3	Very high	23 Å²	23	73.5 Å²	73.5	14%	0.141	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.8	179.8	51.3	0	0	0	0	110.6	R217 L218 Y238 N239 H241	R217-T272 CarbonylContact O-C 3.58Å; R217-T272 WeakPolarHBondContact O-CA 3.38Å; L218-T272 HydrophobicContact CD2-CG2 3.91Å; Y238-T272 CarbonylContact C-O 3.57Å; Y238-T272 WeakPolarHBondContact CA-O 3.45Å; Y238-T272 VanDerWaalsContact CB-O 3.27Å; Y238-T272 WeakPolarHBondContact CB-O 3.32Å; N239-T272 PolarHBondContact N-O 3.25Å; N239-T272 PolarHBondContact O-N 3.37Å; H241-T272 PolarHBondContact CD2-OG1 3.09Å; H241-T272 PolarHBondContact NE2-OG1 2.93Å
273	C	96.8	Very high	95.1	Very high	2 Å²	2	72 Å²	72	1%	0.014	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.2	-179.4	-63.8	0	0	0	0	112.4	T214 G216 R217 C233	T214-C273 WeakPolarHBondContact O-CB 3.2Å; G216-C273 WeakPolarHBondContact CA-O 3.45Å; G216-C273 PolarHBondContact N-O 3.23Å; R217-C273 PolarHBondContact O-N 3.42Å; C233-C273 WeakPolarHBondContact CA-SG 3.42Å; C233-C273 HydrophobicContact CB-CB 3.58Å; C233-C273 WeakPolarHBondContact CB-SG 3.41Å; C233-C273 PolarHBondContact N-SG 3.49Å; C233-C273 VanDerWaalsContact N-SG 3.41Å; C233-C273 WeakPolarHBondContact SG-CA 3.15Å; C233-C273 WeakPolarHBondContact SG-CB 3.35Å; C233-C273 CovalentContact SG-SG 2.04Å; C233-C273 PolarHBondContact SG-SG 3.39Å
274	K	95.4	Very high	94.9	Very high	111 Å²	111	69.9 Å²	69.9	48%	0.483	34%	0.344	S	S	.	.			trans	-72.2	0	172.4	-69.7	-178	-178	179.4	0	112.4	Q215 R236 G237 Y238 N239	Q215-K274 VanDerWaalsContact CD-OXT 3.32Å; Q215-K274 VanDerWaalsContact CG-OXT 3.3Å; Q215-K274 WeakPolarHBondContact CG-OXT 3.49Å; Q215-K274 PolarHBondContact NE2-OXT 3.36Å; R236-K274 PolarHBondContact NE-O 3Å; R236-K274 PolarHBondContact NH2-O 3.38Å; G237-K274 PolarHBondContact O-N 2.87Å; G237-K274 VanDerWaalsContact O-N 3.14Å; Y238-K274 WeakPolarHBondContact O-CE 3.29Å; N239-K274 WeakPolarHBondContact OD1-CE 3.5Å

Retrieved 274 of 274 residues in 401.6 ms (Link to these results)

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