A0A5K4F393_SCHMA Loading...

Putative heat shock protein; Putative major egg antigen

AlphaFold DB , UniProt , Accession A0A5K4F393, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 354 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	58.2	Low	249 Å²	249	122.9 Å²	122.9	100%	1.227	73%	0.732	S	S	*	*				0	92.4	0	-69.1	-171	166.9	0	0	107.9
2	S	37.7	Very low	61.4	Low	123 Å²	123	113.6 Å²	113.6	86%	0.86	68%	0.676	S	S	*	*			trans	-101.7	105.2	172.3	-172.6	0	0	0	0	106.6	G4	S2-G4 PolarHBondContact O-N 3.21Å
3	G	33.4	Very low	64.1	Low	74 Å²	74	111.6 Å²	111.6	76%	0.763	67%	0.668	S	S	*	*			trans	-70.4	109.2	176.8	0	0	0	0	0	109.1	K5	G3-K5 PolarHBondContact O-N 3.14Å
4	G	36.8	Very low	66.5	Low	73 Å²	73	105.6 Å²	105.6	75%	0.753	63%	0.632	S	S	*	*			trans	-63	116.6	172.7	0	0	0	0	0	109.7	S2 Q6	S2-G4 PolarHBondContact O-N 3.21Å; G4-Q6 PolarHBondContact O-N 2.89Å; G4-Q6 VanDerWaalsContact O-N 3.17Å
5	K	45.7	Very low	68.5	Low	177 Å²	177	104.6 Å²	104.6	77%	0.77	62%	0.622	S	S	*	*			trans	-62.5	114.8	164.3	-83.2	-179.5	174.7	-179.7	0	107	G3 H7	G3-K5 PolarHBondContact O-N 3.14Å; K5-H7 PolarHBondContact O-CD2 2.88Å; K5-H7 PolarHBondContact O-N 2.94Å
6	Q	44.6	Very low	70.2	Confident	175 Å²	175	108.8 Å²	108.8	82%	0.818	62%	0.623	S	S	*	*			trans	-62.8	104.8	161.5	-92.8	176.3	-36.4	0	0	107	G4 N8	G4-Q6 PolarHBondContact O-N 2.89Å; G4-Q6 VanDerWaalsContact O-N 3.17Å; Q6-N8 PolarHBondContact O-N 2.85Å
7	H	57.6	Low	71.6	Confident	118 Å²	118	104.4 Å²	104.4	55%	0.546	60%	0.596	S	S	.	*			trans	-73.1	96.8	172.7	-74.3	-94.7	0	0	0	108	K5 A9 E161	K5-H7 PolarHBondContact O-CD2 2.88Å; K5-H7 PolarHBondContact O-N 2.94Å; H7-A9 PolarHBondContact O-N 2.89Å; H7-E161 HydrophobicContact CB-CG 4.26Å; H7-E161 IonicContact CD2-OE1 3.52Å; H7-E161 IonicContact CE1-OE1 3.57Å; H7-E161 PolarHBondContact CE1-OE1 2.89Å; H7-E161 IonicContact CG-OE1 3Å; H7-E161 VanDerWaalsContact ND1-CG 3.29Å; H7-E161 WeakPolarHBondContact ND1-CG 3.33Å; H7-E161 IonicContact ND1-OE1 2.77Å; H7-E161 PolarHBondContact ND1-OE1 2.76Å; H7-E161 IonicContact NE2-OE1 3.51Å
8	N	72.9	Confident	72.9	Confident	130 Å²	130	107.9 Å²	107.9	70%	0.695	61%	0.607	S	S	*	*			trans	-70.9	114.4	-179.9	-76.6	-15.2	0	0	0	109.8	Q6	Q6-N8 PolarHBondContact O-N 2.85Å
9	A	85.6	Confident	74.1	Confident	61 Å²	61	104.7 Å²	104.7	50%	0.504	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-68.7	133.2	166.5	0	0	0	0	0	109.8	H7 S159	H7-A9 PolarHBondContact O-N 2.89Å; A9-S159 CarbonylContact C-O 3.58Å; A9-S159 WeakPolarHBondContact CA-O 3.48Å
10	V	93.1	Very high	75.3	Confident	93 Å²	93	101.6 Å²	101.6	56%	0.564	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.6	126.1	177	-178.2	0	0	0	0	108.5	T158 S159	V10-T158 CarbonylContact O-C 3.53Å; V10-T158 VanDerWaalsContact O-CA 3.28Å; V10-T158 WeakPolarHBondContact O-CA 3.07Å; V10-S159 PolarHBondContact N-O 2.75Å; V10-S159 PolarHBondContact O-N 3.46Å
11	S	95.3	Very high	76.4	Confident	79 Å²	79	96.8 Å²	96.8	55%	0.552	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	134	173.8	-177.5	0	0	0	0	110.4
12	I	96.8	Very high	79.2	Confident	11 Å²	11	88.3 Å²	88.3	6%	0.056	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.9	179.2	-60	165.8	0	0	0	107.8	V14 V157 L198 C200 L210	I12-V14 PolarHBondContact O-N 2.8Å; I12-V157 HydrophobicContact CB-CB 4.3Å; I12-V157 HydrophobicContact CB-CG1 4.13Å; I12-V157 HydrophobicContact CD1-CG1 4.22Å; I12-V157 PolarHBondContact N-O 3.5Å; I12-L198 HydrophobicContact CD1-CB 3.63Å; I12-L198 HydrophobicContact CD1-CD1 3.97Å; I12-L198 HydrophobicContact CD1-CG 4.42Å; I12-L198 HydrophobicContact CG1-CB 4.48Å; I12-C200 HydrophobicContact CG2-CB 3.67Å; I12-L210 HydrophobicContact CD1-CD1 4.11Å; I12-L210 HydrophobicContact CG2-CD1 4.37Å
13	P	96.3	Very high	82.1	Confident	88 Å²	88	89.3 Å²	89.3	57%	0.571	49%	0.485	S	S	*	.			trans	-66.3	136	-177.6	26.6	-33.8	0	0	0	111.6	N15	P13-N15 PolarHBondContact O-N 3.5Å; P13-N15 PolarHBondContact O-ND2 3.28Å
14	V	97.5	Very high	85.1	Confident	27 Å²	27	85.9 Å²	85.9	16%	0.164	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	104.2	175.5	-177.5	0	0	0	0	109.6	I12 P152 I155 V157 M202 L208	I12-V14 PolarHBondContact O-N 2.8Å; V14-P152 HydrophobicContact CG1-CB 4Å; V14-I155 HydrophobicContact CG2-CB 4.43Å; V14-I155 HydrophobicContact CG2-CG2 4.23Å; V14-V157 HydrophobicContact CG2-CG2 3.73Å; V14-M202 HydrophobicContact CG1-CB 3.9Å; V14-L208 HydrophobicContact CG1-CD1 3.49Å; V14-L208 VanDerWaalsContact CG1-CD1 3.49Å; V14-L208 HydrophobicContact CG2-CD1 4.23Å
15	N	96.4	Very high	88	Confident	91 Å²	91	82.5 Å²	82.5	49%	0.487	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.9	-178.5	-59	-72.9	0	0	0	111.4	P13 C200 R201 M202	P13-N15 PolarHBondContact O-N 3.5Å; P13-N15 PolarHBondContact O-ND2 3.28Å; N15-C200 PolarHBondContact N-O 3.41Å; N15-C200 PolarHBondContact ND2-O 3.05Å; N15-R201 CarbonylContact O-C 3.56Å; N15-R201 WeakPolarHBondContact O-CA 3.49Å; N15-R201 WeakPolarHBondContact O-CB 3.37Å; N15-M202 PolarHBondContact O-N 3.06Å
16	R	95.6	Very high	90.5	Very high	171 Å²	171	79.2 Å²	79.2	65%	0.645	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	132.8	177.2	-173.7	176.4	176.1	172.9	0.1	111.6	P152 M202 D204	R16-P152 HydrophobicContact CB-CG 4.26Å; R16-P152 HydrophobicContact CG-CG 4.5Å; R16-M202 CarbonylContact C-O 3.56Å; R16-M202 WeakPolarHBondContact CA-O 3.41Å; R16-D204 IonicContact CZ-OD1 2.84Å; R16-D204 IonicContact NE-OD1 2.76Å; R16-D204 PolarHBondContact NE-OD1 2.83Å; R16-D204 IonicContact NH2-OD1 3.38Å; R16-D204 PolarHBondContact NH2-OD1 2.82Å
17	E	94.4	Very high	92.9	Very high	34 Å²	34	73.9 Å²	73.9	16%	0.159	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128	168.5	-70.1	-161.4	160.6	0	0	111.1	R19 Q24 R201 M202 D204	E17-R19 HydrophobicContact CB-CG 4.14Å; E17-R19 PolarHBondContact O-N 3.14Å; E17-R19 IonicContact OE1-CZ 2.71Å; E17-R19 IonicContact OE1-NE 3.55Å; E17-R19 IonicContact OE1-NH2 3.12Å; E17-R19 PolarHBondContact OE1-NH2 2.97Å; E17-R19 IonicContact OE2-CZ 3.87Å; E17-R19 IonicContact OE2-NE 3.29Å; E17-R19 PolarHBondContact OE2-NE 3.49Å; E17-R19 IonicContact OE2-NH2 2.88Å; E17-R19 PolarHBondContact OE2-NH2 2.88Å; E17-Q24 WeakPolarHBondContact OE2-CG 3.46Å; E17-R201 VanDerWaalsContact CD-CD 3.43Å; E17-R201 HydrophobicContact CG-CB 4.2Å; E17-R201 WeakPolarHBondContact OE1-CD 3.46Å; E17-R201 IonicContact OE1-NE 2.83Å; E17-M202 PolarHBondContact N-O 2.95Å; E17-D204 PolarHBondContact O-N 3.09Å
18	Q	94.9	Very high	94.7	Very high	168 Å²	168	68.4 Å²	68.4	79%	0.785	35%	0.348	S	S	*	.	S	Bend	trans	-80.9	51.8	179.9	-64.1	-176.9	8.4	0	0	112.9	D204	Q18-D204 WeakPolarHBondContact CA-OD2 3.39Å
19	R	96.6	Very high	95.8	Very high	47 Å²	47	62.2 Å²	62.2	18%	0.177	32%	0.315	C	S	.	.	S	Bend	trans	-156.9	153.4	178.7	56.1	-177.4	178.8	-173.8	-5.2	110.1	E17 R23 Q24 D27 T203 D204	E17-R19 HydrophobicContact CB-CG 4.14Å; E17-R19 PolarHBondContact O-N 3.14Å; E17-R19 IonicContact OE1-CZ 2.71Å; E17-R19 IonicContact OE1-NE 3.55Å; E17-R19 IonicContact OE1-NH2 3.12Å; E17-R19 PolarHBondContact OE1-NH2 2.97Å; E17-R19 IonicContact OE2-CZ 3.87Å; E17-R19 IonicContact OE2-NE 3.29Å; E17-R19 PolarHBondContact OE2-NE 3.49Å; E17-R19 IonicContact OE2-NH2 2.88Å; E17-R19 PolarHBondContact OE2-NH2 2.88Å; R19-R23 HydrophobicContact CB-CB 4.17Å; R19-R23 HydrophobicContact CB-CG 4.13Å; R19-Q24 HydrophobicContact CG-CB 4.19Å; R19-D27 WeakPolarHBondContact CD-OD2 3.26Å; R19-D27 IonicContact CZ-OD2 3.51Å; R19-D27 IonicContact NH1-OD2 3.85Å; R19-D27 PolarHBondContact NH1-OD2 3.38Å; R19-T203 WeakPolarHBondContact O-CA 3.4Å; R19-T203 VanDerWaalsContact O-CB 3.22Å; R19-T203 WeakPolarHBondContact O-CB 3.18Å; R19-D204 PolarHBondContact N-OD2 3.01Å; R19-D204 PolarHBondContact O-N 2.98Å
20	S	97.7	Very high	96.3	Very high	43 Å²	43	61.8 Å²	61.8	30%	0.301	31%	0.307	S	S	.	.			trans	-70.9	161.1	170.2	64.1	0	0	0	0	111.2	E22 R23 Q24 D205	S20-E22 PolarHBondContact O-N 2.89Å; S20-R23 PolarHBondContact O-N 2.85Å; S20-R23 VanDerWaalsContact O-N 3.15Å; S20-R23 PolarHBondContact OG-N 2.97Å; S20-Q24 WeakPolarHBondContact O-CB 3.42Å; S20-Q24 PolarHBondContact O-N 2.86Å; S20-D205 WeakPolarHBondContact CA-OD1 3.21Å
21	F	97.6	Very high	96.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-56.6	-39.6	173.2	177.7	-120.4	0	0	0	112.6	Q24 R25 M70 L73 R74 M77 T203 D205 V207 M209	F21-Q24 PolarHBondContact O-N 2.86Å; F21-R25 PolarHBondContact O-N 3.12Å; F21-M70 HydrophobicContact CD1-CE 3.55Å; F21-M70 HydrophobicContact CE1-CE 3.54Å; F21-M70 HydrophobicContact CE1-SD 4.45Å; F21-L73 HydrophobicContact CE1-CB 4.06Å; F21-L73 HydrophobicContact CZ-CB 4Å; F21-L73 HydrophobicContact CZ-CD1 4.06Å; F21-R74 HydrophobicContact CE1-CG 4.46Å; F21-M77 HydrophobicContact CD1-CE 3.47Å; F21-M77 VanDerWaalsContact CD1-CE 3.47Å; F21-M77 HydrophobicContact CE1-CE 3.35Å; F21-M77 HydrophobicContact CE2-CE 4.45Å; F21-M77 HydrophobicContact CG-CE 4.08Å; F21-M77 HydrophobicContact CZ-CE 3.89Å; F21-T203 HydrophobicContact CB-CG2 4.34Å; F21-D205 PolarHBondContact N-OD1 2.89Å; F21-D205 PolarHBondContact N-OD2 2.71Å; F21-V207 HydrophobicContact CB-CB 4.05Å; F21-V207 HydrophobicContact CB-CG2 3.63Å; F21-V207 HydrophobicContact CD1-CG2 4.38Å; F21-V207 HydrophobicContact CD2-CB 4.44Å; F21-V207 HydrophobicContact CD2-CG1 4.11Å; F21-V207 HydrophobicContact CG-CB 4.27Å; F21-V207 HydrophobicContact CG-CG1 4.26Å; F21-V207 HydrophobicContact CG-CG2 3.96Å; F21-M209 HydrophobicContact CD2-SD 3.91Å; F21-M209 HydrophobicContact CE2-SD 3.89Å
22	E	97.8	Very high	96.2	Very high	71 Å²	71	56.2 Å²	56.2	33%	0.332	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-47.3	175.8	-170.5	-175.9	155	0	0	111.5	S20 R25 R26 W66 M70	S20-E22 PolarHBondContact O-N 2.89Å; E22-R25 PolarHBondContact O-N 3.14Å; E22-R26 WeakPolarHBondContact O-CG 3.16Å; E22-R26 PolarHBondContact O-N 2.85Å; E22-R26 IonicContact OE1-CZ 3.3Å; E22-R26 IonicContact OE1-NE 2.76Å; E22-R26 PolarHBondContact OE1-NE 3.36Å; E22-R26 IonicContact OE1-NH2 3.63Å; E22-R26 PolarHBondContact OE1-NH2 3.15Å; E22-W66 HydrophobicContact CG-CZ2 3.51Å; E22-W66 PolarHBondContact OE1-NE1 3.14Å; E22-M70 HydrophobicContact CB-CE 4.12Å; E22-M70 HydrophobicContact CG-CE 4.27Å
23	R	97.8	Very high	96	Very high	144 Å²	144	59.3 Å²	59.3	54%	0.543	29%	0.292	S	S	.	.	H	α-helix	trans	-65.1	-41.6	178.7	-177.1	174	-178.3	-161.6	3.2	111.4	R19 S20 R25 R26 D27	R19-R23 HydrophobicContact CB-CB 4.17Å; R19-R23 HydrophobicContact CB-CG 4.13Å; S20-R23 PolarHBondContact O-N 2.85Å; S20-R23 VanDerWaalsContact O-N 3.15Å; S20-R23 PolarHBondContact OG-N 2.97Å; R23-R25 VanDerWaalsContact C-N 3.27Å; R23-R25 PolarHBondContact O-N 2.8Å; R23-R26 PolarHBondContact O-N 3.35Å; R23-D27 PolarHBondContact O-N 2.81Å
24	Q	97.1	Very high	95.5	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-56	-41.8	173.7	-176	-86.2	-21.3	0	0	112	E17 R19 S20 F21 L28 T203 M209	E17-Q24 WeakPolarHBondContact OE2-CG 3.46Å; R19-Q24 HydrophobicContact CG-CB 4.19Å; S20-Q24 WeakPolarHBondContact O-CB 3.42Å; S20-Q24 PolarHBondContact O-N 2.86Å; F21-Q24 PolarHBondContact O-N 2.86Å; Q24-L28 PolarHBondContact O-N 3.22Å; Q24-L28 VanDerWaalsContact O-N 3.11Å; Q24-T203 HydrophobicContact CB-CG2 4.49Å; Q24-M209 HydrophobicContact CG-CE 4.03Å
25	R	97.1	Very high	94.3	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-67.9	-40.9	177.1	-172.5	57.8	170.1	-160.1	-3.2	112.4	F21 E22 R23 L28 L29 W66 E69 M70 E132	F21-R25 PolarHBondContact O-N 3.12Å; E22-R25 PolarHBondContact O-N 3.14Å; R23-R25 VanDerWaalsContact C-N 3.27Å; R23-R25 PolarHBondContact O-N 2.8Å; R25-L28 WeakPolarHBondContact O-CB 3.31Å; R25-L28 PolarHBondContact O-N 3.47Å; R25-L29 PolarHBondContact O-N 2.92Å; R25-W66 HydrophobicContact CB-CH2 3.89Å; R25-W66 HydrophobicContact CB-CZ3 4.49Å; R25-W66 HydrophobicContact CG-CH2 3.77Å; R25-W66 HydrophobicContact CG-CZ3 3.88Å; R25-E69 IonicContact CZ-OE1 3.24Å; R25-E69 IonicContact NE-OE1 3.74Å; R25-E69 PolarHBondContact NE-OE1 2.95Å; R25-E69 IonicContact NH2-OE1 2.8Å; R25-E69 PolarHBondContact NH2-OE1 2.87Å; R25-M70 HydrophobicContact CB-SD 4.09Å; R25-M70 HydrophobicContact CG-SD 3.96Å; R25-E132 IonicContact CZ-OE2 3.66Å; R25-E132 VanDerWaalsContact NH1-CD 3.26Å; R25-E132 IonicContact NH1-OE1 2.8Å; R25-E132 PolarHBondContact NH1-OE1 2.88Å; R25-E132 VanDerWaalsContact NH1-OE1 3.13Å; R25-E132 IonicContact NH1-OE2 2.75Å; R25-E132 PolarHBondContact NH1-OE2 2.82Å; R25-E132 IonicContact NH2-OE2 3.51Å
26	R	97.7	Very high	92.4	Very high	108 Å²	108	60.2 Å²	60.2	41%	0.408	30%	0.299	S	S	.	.	H	α-helix	trans	-61.7	-44.3	175.3	-69.3	-179.1	179.4	-102.8	0.7	111.8	E22 R23 L28 L29 T30 W63 W66	E22-R26 WeakPolarHBondContact O-CG 3.16Å; E22-R26 PolarHBondContact O-N 2.85Å; E22-R26 IonicContact OE1-CZ 3.3Å; E22-R26 IonicContact OE1-NE 2.76Å; E22-R26 PolarHBondContact OE1-NE 3.36Å; E22-R26 IonicContact OE1-NH2 3.63Å; E22-R26 PolarHBondContact OE1-NH2 3.15Å; R23-R26 PolarHBondContact O-N 3.35Å; R26-L28 VanDerWaalsContact C-N 3.32Å; R26-L28 PolarHBondContact O-N 2.85Å; R26-L29 PolarHBondContact O-N 2.98Å; R26-T30 WeakPolarHBondContact O-CB 3.06Å; R26-T30 PolarHBondContact O-N 2.85Å; R26-T30 PolarHBondContact O-OG1 3.5Å; R26-W63 HydrophobicContact CB-CH2 3.95Å; R26-W63 HydrophobicContact CG-CH2 3.9Å; R26-W63 HydrophobicContact CG-CZ3 4.01Å; R26-W66 HydrophobicContact CB-CH2 4.33Å; R26-W66 HydrophobicContact CG-CH2 3.35Å; R26-W66 HydrophobicContact CG-CZ2 3.54Å; R26-W66 HydrophobicContact CG-CZ3 4.25Å
27	D	96.3	Very high	90.4	Very high	63 Å²	63	55.3 Å²	55.3	34%	0.337	30%	0.301	S	S	.	.	H	α-helix	trans	-61.9	-40.9	179	-64.8	-17.7	0	0	0	111	R19 R23 G31	R19-D27 WeakPolarHBondContact CD-OD2 3.26Å; R19-D27 IonicContact CZ-OD2 3.51Å; R19-D27 IonicContact NH1-OD2 3.85Å; R19-D27 PolarHBondContact NH1-OD2 3.38Å; R23-D27 PolarHBondContact O-N 2.81Å; D27-G31 PolarHBondContact O-N 2.86Å
28	L	95.3	Very high	88.1	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-58.6	-53.2	175.1	171.8	66.2	0	0	0	111.7	Q24 R25 R26 G31 L32 E135	Q24-L28 PolarHBondContact O-N 3.22Å; Q24-L28 VanDerWaalsContact O-N 3.11Å; R25-L28 WeakPolarHBondContact O-CB 3.31Å; R25-L28 PolarHBondContact O-N 3.47Å; R26-L28 VanDerWaalsContact C-N 3.32Å; R26-L28 PolarHBondContact O-N 2.85Å; L28-G31 PolarHBondContact O-N 2.84Å; L28-L32 HydrophobicContact CD1-CD1 3.88Å; L28-L32 HydrophobicContact CD1-CG 4.32Å; L28-L32 HydrophobicContact CG-CD1 4.17Å; L28-L32 WeakPolarHBondContact O-CG 3.17Å; L28-L32 PolarHBondContact O-N 2.83Å; L28-E135 HydrophobicContact CD1-CB 4.33Å; L28-E135 HydrophobicContact CD1-CG 3.65Å
29	L	96	Very high	86	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62	-46.7	-179.2	-65.5	-178	0	0	0	110.9	R25 R26 G31 L32 E33 W58 I59 W63 W66	R25-L29 PolarHBondContact O-N 2.92Å; R26-L29 PolarHBondContact O-N 2.98Å; L29-G31 VanDerWaalsContact C-N 3.35Å; L29-G31 PolarHBondContact O-N 2.87Å; L29-L32 PolarHBondContact O-N 2.81Å; L29-E33 WeakPolarHBondContact O-CG 3.47Å; L29-E33 PolarHBondContact O-N 3.22Å; L29-W58 HydrophobicContact CD2-CH2 3.7Å; L29-W58 HydrophobicContact CD2-CZ2 4.31Å; L29-W58 HydrophobicContact CD2-CZ3 3.88Å; L29-I59 HydrophobicContact CB-CG2 4.37Å; L29-I59 HydrophobicContact CD2-CG1 4.35Å; L29-I59 HydrophobicContact CD2-CG2 4.37Å; L29-W63 HydrophobicContact CB-CH2 4.26Å; L29-W63 HydrophobicContact CB-CZ2 3.51Å; L29-W63 HydrophobicContact CD1-CD2 3.87Å; L29-W63 HydrophobicContact CD1-CE3 4.14Å; L29-W63 HydrophobicContact CD1-CG 4.42Å; L29-W63 HydrophobicContact CD1-CH2 4.23Å; L29-W63 HydrophobicContact CD1-CZ2 3.97Å; L29-W63 HydrophobicContact CD1-CZ3 4.3Å; L29-W63 HydrophobicContact CG-CZ2 4.39Å; L29-W66 HydrophobicContact CD1-CE3 4.32Å; L29-W66 HydrophobicContact CD1-CZ3 3.75Å
30	T	95.7	Very high	83.9	Confident	52 Å²	52	58.2 Å²	58.2	32%	0.319	32%	0.324	S	S	.	.	H	α-helix	trans	-59.6	-45.5	177.9	-52.9	0	0	0	0	110.9	R26 L32 E33 H34	R26-T30 WeakPolarHBondContact O-CB 3.06Å; R26-T30 PolarHBondContact O-N 2.85Å; R26-T30 PolarHBondContact O-OG1 3.5Å; T30-L32 VanDerWaalsContact C-N 3.31Å; T30-L32 PolarHBondContact O-N 2.81Å; T30-E33 PolarHBondContact O-N 3.1Å; T30-H34 VanDerWaalsContact CG2-CE1 3.44Å; T30-H34 WeakPolarHBondContact CG2-CE1 3.43Å; T30-H34 WeakPolarHBondContact CG2-ND1 3.4Å; T30-H34 PolarHBondContact O-N 2.67Å; T30-H34 VanDerWaalsContact O-N 3.1Å; T30-H34 PolarHBondContact O-ND1 3.08Å
31	G	93.8	Very high	81.6	Confident	44 Å²	44	58.9 Å²	58.9	45%	0.454	34%	0.338	S	S	.	.	H	α-helix	trans	-59.9	-41.1	177.8	0	0	0	0	0	112.5	D27 L28 L29 G35	D27-G31 PolarHBondContact O-N 2.86Å; L28-G31 PolarHBondContact O-N 2.84Å; L29-G31 VanDerWaalsContact C-N 3.35Å; L29-G31 PolarHBondContact O-N 2.87Å; G31-G35 PolarHBondContact O-N 2.81Å
32	L	92.3	Very high	79.3	Confident	10 Å²	10	66.2 Å²	66.2	5%	0.052	38%	0.377	C	S	.	.	H	α-helix	trans	-70.3	-33.3	178.1	-72.4	171.3	0	0	0	113.5	L28 L29 T30 W58 I59 V133 G134	L28-L32 HydrophobicContact CD1-CD1 3.88Å; L28-L32 HydrophobicContact CD1-CG 4.32Å; L28-L32 HydrophobicContact CG-CD1 4.17Å; L28-L32 WeakPolarHBondContact O-CG 3.17Å; L28-L32 PolarHBondContact O-N 2.83Å; L29-L32 PolarHBondContact O-N 2.81Å; T30-L32 VanDerWaalsContact C-N 3.31Å; T30-L32 PolarHBondContact O-N 2.81Å; L32-W58 HydrophobicContact CD1-CH2 4.23Å; L32-W58 HydrophobicContact CD1-CZ3 3.69Å; L32-I59 HydrophobicContact CB-CD1 3.66Å; L32-I59 HydrophobicContact CB-CG1 4.43Å; L32-V133 HydrophobicContact CD1-CG1 4.01Å; L32-G134 WeakPolarHBondContact CD2-O 3.33Å
33	E	91.2	Very high	77.3	Confident	76 Å²	76	63.7 Å²	63.7	36%	0.355	37%	0.365	S	S	.	.	H	α-helix	trans	-64.9	-48.7	173.2	-69.5	174	153.8	0	0	111.3	L29 T30 S36 I59 W63	L29-E33 WeakPolarHBondContact O-CG 3.47Å; L29-E33 PolarHBondContact O-N 3.22Å; T30-E33 PolarHBondContact O-N 3.1Å; E33-S36 WeakPolarHBondContact O-CB 3.47Å; E33-S36 PolarHBondContact O-N 3.34Å; E33-I59 HydrophobicContact CG-CD1 4.27Å; E33-I59 HydrophobicContact CG-CG2 3.57Å; E33-I59 VanDerWaalsContact OE1-CG2 3.26Å; E33-I59 WeakPolarHBondContact OE1-CG2 3.26Å; E33-W63 PolarHBondContact OE1-NE1 2.98Å
34	H	86.3	Confident	75.2	Confident	147 Å²	147	64.3 Å²	64.3	68%	0.681	38%	0.378	S	S	*	.	H	α-helix	trans	-75.4	-30.8	-176.3	-66.3	82	0	0	0	112.4	T30 S36	T30-H34 VanDerWaalsContact CG2-CE1 3.44Å; T30-H34 WeakPolarHBondContact CG2-CE1 3.43Å; T30-H34 WeakPolarHBondContact CG2-ND1 3.4Å; T30-H34 PolarHBondContact O-N 2.67Å; T30-H34 VanDerWaalsContact O-N 3.1Å; T30-H34 PolarHBondContact O-ND1 3.08Å; H34-S36 PolarHBondContact O-N 3.06Å
35	G	72.5	Confident	73.4	Confident	42 Å²	42	65.8 Å²	65.8	43%	0.433	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-73.1	-5.9	177.3	0	0	0	0	0	114.5	G31 G37	G31-G35 PolarHBondContact O-N 2.81Å; G35-G37 PolarHBondContact O-N 3.36Å; G35-G37 VanDerWaalsContact O-N 3.07Å
36	S	57.3	Low	71.7	Confident	37 Å²	37	67 Å²	67	26%	0.259	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-72	0.6	-169.1	-165	0	0	0	0	115.8	E33 H34 R40	E33-S36 WeakPolarHBondContact O-CB 3.47Å; E33-S36 PolarHBondContact O-N 3.34Å; H34-S36 PolarHBondContact O-N 3.06Å; S36-R40 PolarHBondContact OG-NE 3.2Å; S36-R40 PolarHBondContact OG-NH1 3.46Å; S36-R40 VanDerWaalsContact OG-NH1 3.13Å; S36-R40 PolarHBondContact OG-NH2 3.05Å
37	G	52.4	Low	71	Confident	67 Å²	67	63 Å²	63	69%	0.691	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-97.7	-30.9	-170.1	0	0	0	0	0	117.8	G35	G35-G37 PolarHBondContact O-N 3.36Å; G35-G37 VanDerWaalsContact O-N 3.07Å
38	T	47.6	Very low	70.4	Confident	127 Å²	127	60.6 Å²	60.6	78%	0.779	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.5	-12.7	-165.4	42.1	0	0	0	0	116.1
39	H	50.2	Low	69.8	Low	154 Å²	154	69.6 Å²	69.6	71%	0.713	42%	0.416	S	S	*	.	S	Bend	trans	-109.4	-6.2	178	-72.4	-63.3	0	0	0	114.8	G41 N42	H39-G41 VanDerWaalsContact C-N 3.31Å; H39-G41 PolarHBondContact O-N 3.49Å; H39-N42 PolarHBondContact O-N 3.39Å
40	R	53.2	Low	69.5	Low	30 Å²	30	72.2 Å²	72.2	11%	0.113	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-71.4	-19.4	-177.3	-69.8	-152.3	173.4	166.6	1.5	114.9	S36 N42 L43 P52 D56	S36-R40 PolarHBondContact OG-NE 3.2Å; S36-R40 PolarHBondContact OG-NH1 3.46Å; S36-R40 VanDerWaalsContact OG-NH1 3.13Å; S36-R40 PolarHBondContact OG-NH2 3.05Å; R40-N42 PolarHBondContact O-N 3.39Å; R40-L43 HydrophobicContact CB-CD1 3.78Å; R40-L43 HydrophobicContact CB-CG 4.45Å; R40-L43 HydrophobicContact CG-CD1 3.52Å; R40-L43 VanDerWaalsContact O-CB 3.26Å; R40-L43 WeakPolarHBondContact O-CB 3.5Å; R40-L43 PolarHBondContact O-N 3Å; R40-P52 PolarHBondContact NH1-O 2.91Å; R40-D56 IonicContact CZ-OD1 2.74Å; R40-D56 IonicContact NH1-OD1 2.82Å; R40-D56 PolarHBondContact NH1-OD1 3.43Å; R40-D56 IonicContact NH1-OD2 3.75Å; R40-D56 PolarHBondContact NH1-OD2 3.18Å; R40-D56 IonicContact NH2-OD1 3.86Å; R40-D56 PolarHBondContact NH2-OD1 2.69Å
41	G	48	Very low	69.2	Low	57 Å²	57	69.9 Å²	69.9	59%	0.588	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-62.3	-22	176.8	0	0	0	0	0	114.3	H39	H39-G41 VanDerWaalsContact C-N 3.31Å; H39-G41 PolarHBondContact O-N 3.49Å
42	N	50.6	Low	69	Low	153 Å²	153	69.7 Å²	69.7	82%	0.818	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-97	11.9	174	-78.9	-7.8	0	0	0	113.3	H39 R40 I44	H39-N42 PolarHBondContact O-N 3.39Å; R40-N42 PolarHBondContact O-N 3.39Å; N42-I44 VanDerWaalsContact C-N 3.26Å
43	L	54.9	Low	68.9	Low	18 Å²	18	72.1 Å²	72.1	9%	0.094	43%	0.425	C	S	.	.			trans	-85.8	9.5	172.9	-65.2	174.3	0	0	0	113.4	R40 G45 D136 K138	R40-L43 HydrophobicContact CB-CD1 3.78Å; R40-L43 HydrophobicContact CB-CG 4.45Å; R40-L43 HydrophobicContact CG-CD1 3.52Å; R40-L43 VanDerWaalsContact O-CB 3.26Å; R40-L43 WeakPolarHBondContact O-CB 3.5Å; R40-L43 PolarHBondContact O-N 3Å; L43-G45 PolarHBondContact O-N 3.42Å; L43-D136 WeakPolarHBondContact CD2-O 3.48Å; L43-K138 HydrophobicContact CD2-CG 4.05Å
44	I	53.8	Low	69	Low	158 Å²	158	69.4 Å²	69.4	81%	0.81	41%	0.413	S	S	*	.			trans	-74.1	51.6	172.7	-44	174	0	0	0	109.8	N42	N42-I44 VanDerWaalsContact C-N 3.26Å
45	G	59.2	Low	69.3	Low	33 Å²	33	62.4 Å²	62.4	34%	0.34	38%	0.381	S	S	.	.	S	Bend	trans	-82.5	-162.7	161.2	0	0	0	0	0	110.2	L43 Y47	L43-G45 PolarHBondContact O-N 3.42Å; G45-Y47 PolarHBondContact O-N 2.97Å
46	P	61.6	Low	70.3	Confident	26 Å²	26	63 Å²	63	17%	0.169	37%	0.374	C	S	.	.	S	Bend	trans	-71.1	38.8	-173.4	27.2	-32.7	0	0	0	115.3	V216 D217 Q220 L222	P46-V216 HydrophobicContact CB-CB 4.13Å; P46-V216 HydrophobicContact CB-CG1 3.45Å; P46-V216 VanDerWaalsContact CB-CG1 3.45Å; P46-V216 HydrophobicContact CG-CB 3.3Å; P46-V216 HydrophobicContact CG-CG1 3.16Å; P46-V216 HydrophobicContact CG-CG2 4.26Å; P46-D217 WeakPolarHBondContact CB-O 3.27Å; P46-Q220 CarbonylContact C-O 3.58Å; P46-Q220 CarbonylContact O-C 3.59Å; P46-L222 PolarHBondContact O-N 2.92Å
47	Y	83.2	Confident	72	Confident	26 Å²	26	65 Å²	65	10%	0.102	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-108.4	167.4	179.9	-54.7	-75.6	0	0	0	109.5	G45 W51 K138 V139 L222	G45-Y47 PolarHBondContact O-N 2.97Å; Y47-W51 AromaticContact CD1-CD2 3.75Å; Y47-W51 HydrophobicContact CD1-CD2 3.75Å; Y47-W51 AromaticContact CD1-CE2 3.8Å; Y47-W51 AromaticContact CD1-CE3 3.9Å; Y47-W51 HydrophobicContact CD1-CE3 3.9Å; Y47-W51 HydrophobicContact CD1-CG 4.28Å; Y47-W51 HydrophobicContact CD1-CH2 4.19Å; Y47-W51 HydrophobicContact CD1-CZ2 4.04Å; Y47-W51 HydrophobicContact CD1-CZ3 4.11Å; Y47-W51 HydrophobicContact CE1-CH2 4.35Å; Y47-W51 HydrophobicContact CE1-CZ2 4.1Å; Y47-W51 HydrophobicContact CG-CB 4.46Å; Y47-W51 AromaticContact CG-CD2 3.87Å; Y47-W51 HydrophobicContact CG-CD2 3.87Å; Y47-W51 HydrophobicContact CG-CE3 4.34Å; Y47-W51 AromaticContact CG-CG 3.9Å; Y47-W51 HydrophobicContact CG-CG 3.9Å; Y47-K138 HydrophobicContact CE2-CB 4.4Å; Y47-K138 HydrophobicContact CE2-CG 4.16Å; Y47-K138 WeakPolarHBondContact OH-CB 3.27Å; Y47-V139 HydrophobicContact CE1-CB 4.2Å; Y47-V139 HydrophobicContact CE1-CG2 3.75Å; Y47-V139 PolarHBondContact OH-N 3.45Å; Y47-L222 HydrophobicContact CD1-CB 3.67Å; Y47-L222 HydrophobicContact CD1-CD1 4.15Å; Y47-L222 HydrophobicContact CD1-CG 4.46Å; Y47-L222 HydrophobicContact CE1-CB 4.05Å; Y47-L222 HydrophobicContact CE1-CD1 3.69Å; Y47-L222 HydrophobicContact CE1-CG 4.47Å
48	T	82.6	Confident	74.1	Confident	12 Å²	12	62.3 Å²	62.3	7%	0.074	36%	0.357	C	S	.	.			trans	-66.2	151.9	171.8	48.7	0	0	0	0	111.5	D50 W51 L222 R233	T48-D50 WeakPolarHBondContact CB-OD1 3.45Å; T48-D50 PolarHBondContact O-N 3.14Å; T48-D50 VanDerWaalsContact O-N 3.16Å; T48-D50 PolarHBondContact OG1-OD1 3Å; T48-W51 WeakPolarHBondContact O-CB 3.28Å; T48-W51 PolarHBondContact O-N 3.4Å; T48-L222 WeakPolarHBondContact CG2-O 3.41Å; T48-L222 PolarHBondContact N-O 3.44Å; T48-L222 PolarHBondContact OG1-O 2.93Å; T48-R233 VanDerWaalsContact CB-NH1 3.31Å; T48-R233 HydrophobicContact CG2-CB 3.93Å; T48-R233 VanDerWaalsContact CG2-NH1 3.34Å
49	E	84.1	Confident	76.3	Confident	192 Å²	192	56.4 Å²	56.4	90%	0.897	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.3	-177.9	-64.3	178.9	-179.2	0	0	112.7	W51	E49-W51 VanDerWaalsContact C-N 3.33Å
50	D	88.5	Confident	78.5	Confident	56 Å²	56	52.9 Å²	52.9	30%	0.299	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	9.7	176.2	62.6	-40	0	0	0	113.5	T48 P52 S53 T54 R233	T48-D50 WeakPolarHBondContact CB-OD1 3.45Å; T48-D50 PolarHBondContact O-N 3.14Å; T48-D50 VanDerWaalsContact O-N 3.16Å; T48-D50 PolarHBondContact OG1-OD1 3Å; D50-P52 VanDerWaalsContact C-CD 3.45Å; D50-P52 VanDerWaalsContact C-N 3.32Å; D50-S53 PolarHBondContact O-N 3.16Å; D50-S53 PolarHBondContact O-OG 3.2Å; D50-T54 PolarHBondContact O-N 3.43Å; D50-T54 PolarHBondContact O-OG1 2.73Å; D50-R233 IonicContact OD1-CZ 3.06Å; D50-R233 IonicContact OD1-NH1 3.15Å; D50-R233 PolarHBondContact OD1-NH1 2.92Å; D50-R233 IonicContact OD1-NH2 3.36Å; D50-R233 PolarHBondContact OD1-NH2 2.97Å; D50-R233 VanDerWaalsContact OD1-NH2 3.15Å; D50-R233 IonicContact OD2-CZ 2.71Å; D50-R233 IonicContact OD2-NH1 2.76Å; D50-R233 IonicContact OD2-NH2 3.62Å; D50-R233 PolarHBondContact OD2-NH2 3.06Å
51	W	90.9	Very high	80.5	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-49	-43.5	179	179.6	-106	0	0	0	114.1	Y47 T48 E49 S53 T54 V55 V133 G137 V139 L224	Y47-W51 AromaticContact CD1-CD2 3.75Å; Y47-W51 HydrophobicContact CD1-CD2 3.75Å; Y47-W51 AromaticContact CD1-CE2 3.8Å; Y47-W51 AromaticContact CD1-CE3 3.9Å; Y47-W51 HydrophobicContact CD1-CE3 3.9Å; Y47-W51 HydrophobicContact CD1-CG 4.28Å; Y47-W51 HydrophobicContact CD1-CH2 4.19Å; Y47-W51 HydrophobicContact CD1-CZ2 4.04Å; Y47-W51 HydrophobicContact CD1-CZ3 4.11Å; Y47-W51 HydrophobicContact CE1-CH2 4.35Å; Y47-W51 HydrophobicContact CE1-CZ2 4.1Å; Y47-W51 HydrophobicContact CG-CB 4.46Å; Y47-W51 AromaticContact CG-CD2 3.87Å; Y47-W51 HydrophobicContact CG-CD2 3.87Å; Y47-W51 HydrophobicContact CG-CE3 4.34Å; Y47-W51 AromaticContact CG-CG 3.9Å; Y47-W51 HydrophobicContact CG-CG 3.9Å; T48-W51 WeakPolarHBondContact O-CB 3.28Å; T48-W51 PolarHBondContact O-N 3.4Å; E49-W51 VanDerWaalsContact C-N 3.33Å; W51-S53 PolarHBondContact O-N 3.04Å; W51-T54 HydrophobicContact CE3-CG2 4.29Å; W51-T54 HydrophobicContact CZ3-CG2 4.38Å; W51-T54 WeakPolarHBondContact O-CB 3.48Å; W51-T54 PolarHBondContact O-N 2.8Å; W51-T54 VanDerWaalsContact O-N 3.14Å; W51-V55 HydrophobicContact CD2-CG2 3.99Å; W51-V55 VanDerWaalsContact CE2-CG2 3.45Å; W51-V55 HydrophobicContact CG-CG2 4.34Å; W51-V55 HydrophobicContact CH2-CG2 4.43Å; W51-V55 HydrophobicContact CZ2-CG2 3.71Å; W51-V55 WeakPolarHBondContact O-CG2 3.25Å; W51-V55 PolarHBondContact O-N 3.27Å; W51-V133 HydrophobicContact CH2-CG2 4.15Å; W51-V133 HydrophobicContact CZ2-CG2 3.97Å; W51-G137 PolarHBondContact NE1-O 3.19Å; W51-V139 HydrophobicContact CH2-CG2 3.75Å; W51-V139 HydrophobicContact CZ2-CG2 4.05Å; W51-L224 HydrophobicContact CH2-CD1 4.3Å; W51-L224 HydrophobicContact CH2-CD2 4.04Å; W51-L224 HydrophobicContact CH2-CG 3.99Å; W51-L224 HydrophobicContact CZ3-CD2 4.29Å; W51-L224 HydrophobicContact CZ3-CG 3.92Å
52	P	89.3	Confident	82.8	Confident	41 Å²	41	50.8 Å²	50.8	27%	0.266	29%	0.288	S	S	.	.	H	α-helix	trans	-53.7	-50	173.9	-28.5	37.6	0	0	0	113.3	R40 D50 T54 V55 D56	R40-P52 PolarHBondContact NH1-O 2.91Å; D50-P52 VanDerWaalsContact C-CD 3.45Å; D50-P52 VanDerWaalsContact C-N 3.32Å; P52-T54 VanDerWaalsContact C-N 3.31Å; P52-T54 PolarHBondContact O-N 3.08Å; P52-V55 PolarHBondContact O-N 2.91Å; P52-D56 VanDerWaalsContact O-CG 3.29Å; P52-D56 PolarHBondContact O-N 2.91Å
53	S	90.3	Very high	85	Confident	61 Å²	61	47.1 Å²	47.1	43%	0.427	26%	0.262	S	S	.	.	H	α-helix	trans	-68.5	-30.3	177.7	42.7	0	0	0	0	113.2	D50 W51 D56 S57	D50-S53 PolarHBondContact O-N 3.16Å; D50-S53 PolarHBondContact O-OG 3.2Å; W51-S53 PolarHBondContact O-N 3.04Å; S53-D56 PolarHBondContact O-N 2.76Å; S53-S57 WeakPolarHBondContact O-CB 3.44Å; S53-S57 PolarHBondContact O-N 3.14Å; S53-S57 PolarHBondContact O-OG 3.38Å
54	T	92.6	Very high	87	Confident	18 Å²	18	56.4 Å²	56.4	11%	0.11	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-44.7	172.7	-62.2	0	0	0	0	110.7	D50 W51 P52 S57 W58 L224	D50-T54 PolarHBondContact O-N 3.43Å; D50-T54 PolarHBondContact O-OG1 2.73Å; W51-T54 HydrophobicContact CE3-CG2 4.29Å; W51-T54 HydrophobicContact CZ3-CG2 4.38Å; W51-T54 WeakPolarHBondContact O-CB 3.48Å; W51-T54 PolarHBondContact O-N 2.8Å; W51-T54 VanDerWaalsContact O-N 3.14Å; P52-T54 VanDerWaalsContact C-N 3.31Å; P52-T54 PolarHBondContact O-N 3.08Å; T54-S57 PolarHBondContact O-N 3.27Å; T54-W58 WeakPolarHBondContact O-CB 3.36Å; T54-W58 PolarHBondContact O-N 3Å; T54-L224 HydrophobicContact CG2-CB 3.84Å; T54-L224 HydrophobicContact CG2-CD1 4.16Å; T54-L224 HydrophobicContact CG2-CG 3.95Å
55	V	92.9	Very high	89	Confident	1 Å²	1	56 Å²	56	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-42.9	174.6	174.2	0	0	0	0	111	W51 P52 S57 W58 I59 V133	W51-V55 HydrophobicContact CD2-CG2 3.99Å; W51-V55 VanDerWaalsContact CE2-CG2 3.45Å; W51-V55 HydrophobicContact CG-CG2 4.34Å; W51-V55 HydrophobicContact CH2-CG2 4.43Å; W51-V55 HydrophobicContact CZ2-CG2 3.71Å; W51-V55 WeakPolarHBondContact O-CG2 3.25Å; W51-V55 PolarHBondContact O-N 3.27Å; P52-V55 PolarHBondContact O-N 2.91Å; V55-S57 VanDerWaalsContact C-N 3.33Å; V55-S57 PolarHBondContact O-N 2.93Å; V55-W58 HydrophobicContact CG1-CE3 4.27Å; V55-W58 WeakPolarHBondContact O-CB 3.46Å; V55-W58 PolarHBondContact O-N 2.92Å; V55-I59 HydrophobicContact CG1-CD1 3.97Å; V55-I59 HydrophobicContact CG1-CG1 4.37Å; V55-I59 VanDerWaalsContact O-CG1 3.31Å; V55-I59 WeakPolarHBondContact O-CG1 3.49Å; V55-I59 PolarHBondContact O-N 3.18Å; V55-V133 HydrophobicContact CG1-CG1 4.3Å; V55-V133 HydrophobicContact CG2-CG1 4.39Å; V55-V133 HydrophobicContact CG2-CG2 4.35Å
56	D	92.8	Very high	90.7	Very high	55 Å²	55	55.7 Å²	55.7	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-63.2	-40.6	177.5	-64.7	-23.8	0	0	0	112.1	R40 P52 S53 W58 I59 N60	R40-D56 IonicContact CZ-OD1 2.74Å; R40-D56 IonicContact NH1-OD1 2.82Å; R40-D56 PolarHBondContact NH1-OD1 3.43Å; R40-D56 IonicContact NH1-OD2 3.75Å; R40-D56 PolarHBondContact NH1-OD2 3.18Å; R40-D56 IonicContact NH2-OD1 3.86Å; R40-D56 PolarHBondContact NH2-OD1 2.69Å; P52-D56 VanDerWaalsContact O-CG 3.29Å; P52-D56 PolarHBondContact O-N 2.91Å; S53-D56 PolarHBondContact O-N 2.76Å; D56-W58 VanDerWaalsContact C-N 3.33Å; D56-I59 PolarHBondContact O-N 3.15Å; D56-N60 WeakPolarHBondContact O-CB 3.26Å; D56-N60 PolarHBondContact O-N 2.99Å; D56-N60 PolarHBondContact O-ND2 3.17Å
57	S	93.9	Very high	92.4	Very high	78 Å²	78	59.9 Å²	59.9	55%	0.545	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-40.1	175.9	-60.3	0	0	0	0	111.3	S53 T54 V55 N60 S61	S53-S57 WeakPolarHBondContact O-CB 3.44Å; S53-S57 PolarHBondContact O-N 3.14Å; S53-S57 PolarHBondContact O-OG 3.38Å; T54-S57 PolarHBondContact O-N 3.27Å; V55-S57 VanDerWaalsContact C-N 3.33Å; V55-S57 PolarHBondContact O-N 2.93Å; S57-N60 PolarHBondContact O-N 2.95Å; S57-S61 WeakPolarHBondContact O-CB 3.49Å; S57-S61 PolarHBondContact O-N 2.97Å
58	W	95.1	Very high	92.8	Very high	11 Å²	11	63 Å²	63	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-49.2	174.4	167.5	75.8	0	0	0	112	L29 L32 T54 V55 D56 N60 S61 S62 V133 L224	L29-W58 HydrophobicContact CD2-CH2 3.7Å; L29-W58 HydrophobicContact CD2-CZ2 4.31Å; L29-W58 HydrophobicContact CD2-CZ3 3.88Å; L32-W58 HydrophobicContact CD1-CH2 4.23Å; L32-W58 HydrophobicContact CD1-CZ3 3.69Å; T54-W58 WeakPolarHBondContact O-CB 3.36Å; T54-W58 PolarHBondContact O-N 3Å; V55-W58 HydrophobicContact CG1-CE3 4.27Å; V55-W58 WeakPolarHBondContact O-CB 3.46Å; V55-W58 PolarHBondContact O-N 2.92Å; D56-W58 VanDerWaalsContact C-N 3.33Å; W58-N60 VanDerWaalsContact C-N 3.32Å; W58-N60 PolarHBondContact O-N 2.74Å; W58-S61 CarbonylContact O-C 3.47Å; W58-S61 WeakPolarHBondContact O-CB 3.46Å; W58-S61 PolarHBondContact O-N 3.48Å; W58-S61 VanDerWaalsContact O-N 3.08Å; W58-S62 WeakPolarHBondContact O-CB 3.25Å; W58-S62 PolarHBondContact O-N 3.45Å; W58-S62 PolarHBondContact O-OG 3.02Å; W58-V133 HydrophobicContact CD2-CG2 4.32Å; W58-V133 HydrophobicContact CE3-CB 4.21Å; W58-V133 HydrophobicContact CE3-CG2 4.09Å; W58-V133 HydrophobicContact CH2-CB 3.87Å; W58-V133 HydrophobicContact CH2-CG2 4.42Å; W58-V133 HydrophobicContact CZ2-CB 4.38Å; W58-V133 HydrophobicContact CZ3-CB 3.78Å; W58-V133 HydrophobicContact CZ3-CG1 4.24Å; W58-V133 HydrophobicContact CZ3-CG2 4.18Å; W58-L224 HydrophobicContact CB-CD1 3.45Å; W58-L224 VanDerWaalsContact CB-CD1 3.45Å; W58-L224 HydrophobicContact CD2-CD1 4.17Å; W58-L224 HydrophobicContact CG-CD1 3.52Å
59	I	95.3	Very high	93.3	Very high	2 Å²	2	63 Å²	63	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-56.7	-47.9	177.2	-65.2	163	0	0	0	110.9	L29 L32 E33 V55 D56 S61 S62 W63	L29-I59 HydrophobicContact CB-CG2 4.37Å; L29-I59 HydrophobicContact CD2-CG1 4.35Å; L29-I59 HydrophobicContact CD2-CG2 4.37Å; L32-I59 HydrophobicContact CB-CD1 3.66Å; L32-I59 HydrophobicContact CB-CG1 4.43Å; E33-I59 HydrophobicContact CG-CD1 4.27Å; E33-I59 HydrophobicContact CG-CG2 3.57Å; E33-I59 VanDerWaalsContact OE1-CG2 3.26Å; E33-I59 WeakPolarHBondContact OE1-CG2 3.26Å; V55-I59 HydrophobicContact CG1-CD1 3.97Å; V55-I59 HydrophobicContact CG1-CG1 4.37Å; V55-I59 VanDerWaalsContact O-CG1 3.31Å; V55-I59 WeakPolarHBondContact O-CG1 3.49Å; V55-I59 PolarHBondContact O-N 3.18Å; D56-I59 PolarHBondContact O-N 3.15Å; I59-S61 VanDerWaalsContact C-N 3.3Å; I59-S61 PolarHBondContact O-N 3.24Å; I59-S62 WeakPolarHBondContact O-CB 3.36Å; I59-S62 PolarHBondContact O-N 3.19Å; I59-W63 PolarHBondContact O-N 2.86Å
60	N	95.6	Very high	93.8	Very high	81 Å²	81	54.5 Å²	54.5	43%	0.433	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-40.6	177.5	-79.2	-60.7	0	0	0	112.2	D56 S57 W58 R64	D56-N60 WeakPolarHBondContact O-CB 3.26Å; D56-N60 PolarHBondContact O-N 2.99Å; D56-N60 PolarHBondContact O-ND2 3.17Å; S57-N60 PolarHBondContact O-N 2.95Å; W58-N60 VanDerWaalsContact C-N 3.32Å; W58-N60 PolarHBondContact O-N 2.74Å; N60-R64 WeakPolarHBondContact O-CB 3.33Å; N60-R64 VanDerWaalsContact O-CG 3.27Å; N60-R64 WeakPolarHBondContact O-CG 3.47Å; N60-R64 PolarHBondContact O-N 2.98Å; N60-R64 VanDerWaalsContact O-N 3.08Å
61	S	96.1	Very high	94	Very high	41 Å²	41	57.8 Å²	57.8	29%	0.287	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-43.2	175.9	-168.4	0	0	0	0	111.3	S57 W58 I59 W63 R64 R65	S57-S61 WeakPolarHBondContact O-CB 3.49Å; S57-S61 PolarHBondContact O-N 2.97Å; W58-S61 CarbonylContact O-C 3.47Å; W58-S61 WeakPolarHBondContact O-CB 3.46Å; W58-S61 PolarHBondContact O-N 3.48Å; W58-S61 VanDerWaalsContact O-N 3.08Å; I59-S61 VanDerWaalsContact C-N 3.3Å; I59-S61 PolarHBondContact O-N 3.24Å; S61-W63 PolarHBondContact O-N 2.91Å; S61-R64 PolarHBondContact O-N 3.11Å; S61-R65 WeakPolarHBondContact O-CB 3.39Å; S61-R65 PolarHBondContact O-N 3.46Å
62	S	96	Very high	94	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-57.9	-44.6	176.9	-71.7	0	0	0	0	112.3	W58 I59 R65 W66 E69	W58-S62 WeakPolarHBondContact O-CB 3.25Å; W58-S62 PolarHBondContact O-N 3.45Å; W58-S62 PolarHBondContact O-OG 3.02Å; I59-S62 WeakPolarHBondContact O-CB 3.36Å; I59-S62 PolarHBondContact O-N 3.19Å; S62-R65 CarbonylContact O-C 3.52Å; S62-W66 VanDerWaalsContact O-CA 3.25Å; S62-W66 WeakPolarHBondContact O-CA 3.14Å; S62-W66 PolarHBondContact O-N 3.06Å; S62-E69 WeakPolarHBondContact CA-OE2 3.36Å; S62-E69 WeakPolarHBondContact CB-OE2 2.99Å; S62-E69 PolarHBondContact OG-OE2 2.9Å
63	W	96.9	Very high	94.2	Very high	75 Å²	75	58.3 Å²	58.3	28%	0.284	28%	0.275	S	S	.	.	H	α-helix	trans	-66.2	-44.5	174.1	-72.8	128.6	0	0	0	113.1	R26 L29 E33 I59 S61 R65 W66	R26-W63 HydrophobicContact CB-CH2 3.95Å; R26-W63 HydrophobicContact CG-CH2 3.9Å; R26-W63 HydrophobicContact CG-CZ3 4.01Å; L29-W63 HydrophobicContact CB-CH2 4.26Å; L29-W63 HydrophobicContact CB-CZ2 3.51Å; L29-W63 HydrophobicContact CD1-CD2 3.87Å; L29-W63 HydrophobicContact CD1-CE3 4.14Å; L29-W63 HydrophobicContact CD1-CG 4.42Å; L29-W63 HydrophobicContact CD1-CH2 4.23Å; L29-W63 HydrophobicContact CD1-CZ2 3.97Å; L29-W63 HydrophobicContact CD1-CZ3 4.3Å; L29-W63 HydrophobicContact CG-CZ2 4.39Å; E33-W63 PolarHBondContact OE1-NE1 2.98Å; I59-W63 PolarHBondContact O-N 2.86Å; S61-W63 PolarHBondContact O-N 2.91Å; W63-R65 VanDerWaalsContact C-N 3.26Å; W63-R65 PolarHBondContact O-N 2.94Å; W63-W66 AromaticContact CE3-CE3 3.89Å; W63-W66 HydrophobicContact CE3-CE3 3.89Å; W63-W66 HydrophobicContact CE3-CZ3 4.15Å; W63-W66 HydrophobicContact CH2-CZ3 4.48Å; W63-W66 AromaticContact CZ3-CE3 3.92Å; W63-W66 HydrophobicContact CZ3-CE3 3.92Å; W63-W66 HydrophobicContact CZ3-CH2 4.28Å; W63-W66 AromaticContact CZ3-CZ3 3.8Å; W63-W66 HydrophobicContact CZ3-CZ3 3.8Å
64	R	97.2	Very high	94.3	Very high	214 Å²	214	60.2 Å²	60.2	81%	0.808	27%	0.272	S	S	*	.	H	α-helix	trans	-65.2	-30.7	179.7	-73.3	177.7	-166.4	-174	6.5	112.9	N60 S61	N60-R64 WeakPolarHBondContact O-CB 3.33Å; N60-R64 VanDerWaalsContact O-CG 3.27Å; N60-R64 WeakPolarHBondContact O-CG 3.47Å; N60-R64 PolarHBondContact O-N 2.98Å; N60-R64 VanDerWaalsContact O-N 3.08Å; S61-R64 PolarHBondContact O-N 3.11Å
65	R	95.4	Very high	94.1	Very high	149 Å²	149	65.4 Å²	65.4	56%	0.562	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	28.1	-175.4	-57.6	-179.9	66.5	116.1	1.6	112.1	S61 S62 W63 D67 E68 E69	S61-R65 WeakPolarHBondContact O-CB 3.39Å; S61-R65 PolarHBondContact O-N 3.46Å; S62-R65 CarbonylContact O-C 3.52Å; W63-R65 VanDerWaalsContact C-N 3.26Å; W63-R65 PolarHBondContact O-N 2.94Å; R65-D67 VanDerWaalsContact C-N 3.33Å; R65-D67 PolarHBondContact O-N 3.33Å; R65-E68 PolarHBondContact O-N 3.49Å; R65-E69 PolarHBondContact O-N 3.3Å
66	W	95.5	Very high	94.1	Very high	27 Å²	27	66.7 Å²	66.7	10%	0.102	30%	0.304	C	S	.	.	H	α-helix	trans	-47	-51	-172.3	-178.3	-104	0	0	0	113.8	E22 R25 R26 L29 S62 W63 E68 E69 M70	E22-W66 HydrophobicContact CG-CZ2 3.51Å; E22-W66 PolarHBondContact OE1-NE1 3.14Å; R25-W66 HydrophobicContact CB-CH2 3.89Å; R25-W66 HydrophobicContact CB-CZ3 4.49Å; R25-W66 HydrophobicContact CG-CH2 3.77Å; R25-W66 HydrophobicContact CG-CZ3 3.88Å; R26-W66 HydrophobicContact CB-CH2 4.33Å; R26-W66 HydrophobicContact CG-CH2 3.35Å; R26-W66 HydrophobicContact CG-CZ2 3.54Å; R26-W66 HydrophobicContact CG-CZ3 4.25Å; L29-W66 HydrophobicContact CD1-CE3 4.32Å; L29-W66 HydrophobicContact CD1-CZ3 3.75Å; S62-W66 VanDerWaalsContact O-CA 3.25Å; S62-W66 WeakPolarHBondContact O-CA 3.14Å; S62-W66 PolarHBondContact O-N 3.06Å; W63-W66 AromaticContact CE3-CE3 3.89Å; W63-W66 HydrophobicContact CE3-CE3 3.89Å; W63-W66 HydrophobicContact CE3-CZ3 4.15Å; W63-W66 HydrophobicContact CH2-CZ3 4.48Å; W63-W66 AromaticContact CZ3-CE3 3.92Å; W63-W66 HydrophobicContact CZ3-CE3 3.92Å; W63-W66 HydrophobicContact CZ3-CH2 4.28Å; W63-W66 AromaticContact CZ3-CZ3 3.8Å; W63-W66 HydrophobicContact CZ3-CZ3 3.8Å; W66-E68 VanDerWaalsContact C-N 3.32Å; W66-E68 PolarHBondContact O-N 2.98Å; W66-E69 PolarHBondContact O-N 3.36Å; W66-M70 HydrophobicContact CD2-CG 4.04Å; W66-M70 HydrophobicContact CG-CG 4.47Å; W66-M70 HydrophobicContact CH2-CG 4.4Å; W66-M70 HydrophobicContact CH2-SD 4.08Å; W66-M70 HydrophobicContact CZ2-CG 3.9Å; W66-M70 HydrophobicContact CZ2-SD 3.99Å; W66-M70 WeakPolarHBondContact O-CB 3.36Å; W66-M70 WeakPolarHBondContact O-CG 3.42Å; W66-M70 PolarHBondContact O-N 3.37Å
67	D	95.5	Very high	94.2	Very high	113 Å²	113	64.6 Å²	64.6	60%	0.604	29%	0.292	S	S	*	.	H	α-helix	trans	-64.3	-38	-177.1	-66.6	-20	0	0	0	112.3	R65 R71	R65-D67 VanDerWaalsContact C-N 3.33Å; R65-D67 PolarHBondContact O-N 3.33Å; D67-R71 WeakPolarHBondContact O-CB 3.38Å; D67-R71 PolarHBondContact O-N 2.68Å; D67-R71 PolarHBondContact O-NH1 2.88Å
68	E	93.4	Very high	94.2	Very high	92 Å²	92	61 Å²	61	43%	0.43	27%	0.267	S	S	.	.	H	α-helix	trans	-70.5	-40.9	177.2	-173.8	56.8	-155.1	0	0	111.7	R65 W66 R71 R72	R65-E68 PolarHBondContact O-N 3.49Å; W66-E68 VanDerWaalsContact C-N 3.32Å; W66-E68 PolarHBondContact O-N 2.98Å; E68-R71 VanDerWaalsContact CA-NH1 3.33Å; E68-R71 PolarHBondContact O-N 3.25Å; E68-R71 IonicContact OE2-CZ 3.57Å; E68-R71 IonicContact OE2-NH1 2.69Å; E68-R71 PolarHBondContact OE2-NH1 2.82Å; E68-R72 WeakPolarHBondContact O-CB 3.38Å; E68-R72 PolarHBondContact O-N 2.84Å
69	E	92.5	Very high	94.1	Very high	13 Å²	13	61.5 Å²	61.5	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-51.6	175.5	-179.8	168.6	143.3	0	0	111.8	R25 S62 R65 W66 R71 R72 L73	R25-E69 IonicContact CZ-OE1 3.24Å; R25-E69 IonicContact NE-OE1 3.74Å; R25-E69 PolarHBondContact NE-OE1 2.95Å; R25-E69 IonicContact NH2-OE1 2.8Å; R25-E69 PolarHBondContact NH2-OE1 2.87Å; S62-E69 WeakPolarHBondContact CA-OE2 3.36Å; S62-E69 WeakPolarHBondContact CB-OE2 2.99Å; S62-E69 PolarHBondContact OG-OE2 2.9Å; R65-E69 PolarHBondContact O-N 3.3Å; W66-E69 PolarHBondContact O-N 3.36Å; E69-R71 VanDerWaalsContact C-N 3.3Å; E69-R71 PolarHBondContact O-N 3.28Å; E69-R72 WeakPolarHBondContact O-CB 3.14Å; E69-R72 PolarHBondContact O-N 2.82Å; E69-L73 HydrophobicContact CG-CD1 4.01Å; E69-L73 HydrophobicContact CG-CG 4.41Å; E69-L73 WeakPolarHBondContact O-CG 3.32Å; E69-L73 PolarHBondContact O-N 2.83Å
70	M	94.7	Very high	93.9	Very high	13 Å²	13	62.2 Å²	62.2	6%	0.064	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-38.9	179.7	-71.3	-56	-60.1	0	0	111.6	F21 E22 R25 W66 L73 R74	F21-M70 HydrophobicContact CD1-CE 3.55Å; F21-M70 HydrophobicContact CE1-CE 3.54Å; F21-M70 HydrophobicContact CE1-SD 4.45Å; E22-M70 HydrophobicContact CB-CE 4.12Å; E22-M70 HydrophobicContact CG-CE 4.27Å; R25-M70 HydrophobicContact CB-SD 4.09Å; R25-M70 HydrophobicContact CG-SD 3.96Å; W66-M70 HydrophobicContact CD2-CG 4.04Å; W66-M70 HydrophobicContact CG-CG 4.47Å; W66-M70 HydrophobicContact CH2-CG 4.4Å; W66-M70 HydrophobicContact CH2-SD 4.08Å; W66-M70 HydrophobicContact CZ2-CG 3.9Å; W66-M70 HydrophobicContact CZ2-SD 3.99Å; W66-M70 WeakPolarHBondContact O-CB 3.36Å; W66-M70 WeakPolarHBondContact O-CG 3.42Å; W66-M70 PolarHBondContact O-N 3.37Å; M70-L73 PolarHBondContact O-N 2.81Å; M70-R74 WeakPolarHBondContact O-CB 3.12Å; M70-R74 WeakPolarHBondContact O-CG 3.42Å; M70-R74 PolarHBondContact O-N 2.96Å
71	R	92.7	Very high	93.6	Very high	124 Å²	124	58.7 Å²	58.7	47%	0.468	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-46.3	173.8	-176.1	-175.4	-58.6	97.6	13.5	111.5	D67 E68 E69 R74 R75	D67-R71 WeakPolarHBondContact O-CB 3.38Å; D67-R71 PolarHBondContact O-N 2.68Å; D67-R71 PolarHBondContact O-NH1 2.88Å; E68-R71 VanDerWaalsContact CA-NH1 3.33Å; E68-R71 PolarHBondContact O-N 3.25Å; E68-R71 IonicContact OE2-CZ 3.57Å; E68-R71 IonicContact OE2-NH1 2.69Å; E68-R71 PolarHBondContact OE2-NH1 2.82Å; E69-R71 VanDerWaalsContact C-N 3.3Å; E69-R71 PolarHBondContact O-N 3.28Å; R71-R74 PolarHBondContact O-N 2.85Å; R71-R75 WeakPolarHBondContact O-CB 3.46Å; R71-R75 VanDerWaalsContact O-CG 3.3Å; R71-R75 WeakPolarHBondContact O-CG 3.44Å; R71-R75 PolarHBondContact O-N 2.93Å
72	R	90.4	Very high	93.1	Very high	47 Å²	47	59 Å²	59	18%	0.177	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-51.3	176.2	-178	-175.1	67	-163.9	-1.6	110.9	E68 E69 R74 R75 G76 D129 S227	E68-R72 WeakPolarHBondContact O-CB 3.38Å; E68-R72 PolarHBondContact O-N 2.84Å; E69-R72 WeakPolarHBondContact O-CB 3.14Å; E69-R72 PolarHBondContact O-N 2.82Å; R72-R74 PolarHBondContact O-N 2.89Å; R72-R75 PolarHBondContact O-N 2.82Å; R72-G76 PolarHBondContact O-N 3.21Å; R72-D129 IonicContact NE-OD1 2.91Å; R72-S227 PolarHBondContact NH1-O 2.96Å
73	L	93.1	Very high	92.3	Very high	7 Å²	7	61.2 Å²	61.2	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-41	-178.4	-68	175.9	0	0	0	112.2	F21 E69 M70 G76 M77	F21-L73 HydrophobicContact CE1-CB 4.06Å; F21-L73 HydrophobicContact CZ-CB 4Å; F21-L73 HydrophobicContact CZ-CD1 4.06Å; E69-L73 HydrophobicContact CG-CD1 4.01Å; E69-L73 HydrophobicContact CG-CG 4.41Å; E69-L73 WeakPolarHBondContact O-CG 3.32Å; E69-L73 PolarHBondContact O-N 2.83Å; M70-L73 PolarHBondContact O-N 2.81Å; L73-G76 PolarHBondContact O-N 2.99Å; L73-M77 WeakPolarHBondContact O-CG 3.36Å
74	R	93	Very high	91.2	Very high	101 Å²	101	62.4 Å²	62.4	38%	0.381	28%	0.283	S	S	.	.	H	α-helix	trans	-67.1	-42.4	175.6	-72.8	-174.8	-171.9	-77.9	3.4	112.4	F21 M70 R71 R72 G76 M77 D205	F21-R74 HydrophobicContact CE1-CG 4.46Å; M70-R74 WeakPolarHBondContact O-CB 3.12Å; M70-R74 WeakPolarHBondContact O-CG 3.42Å; M70-R74 PolarHBondContact O-N 2.96Å; R71-R74 PolarHBondContact O-N 2.85Å; R72-R74 PolarHBondContact O-N 2.89Å; R74-G76 PolarHBondContact O-N 3.42Å; R74-M77 HydrophobicContact CB-CE 4.41Å; R74-M77 HydrophobicContact CG-CE 3.87Å; R74-M77 HydrophobicContact CG-SD 4.4Å; R74-M77 WeakPolarHBondContact O-CB 3.47Å; R74-M77 WeakPolarHBondContact O-CG 3.41Å; R74-M77 PolarHBondContact O-N 3.17Å; R74-M77 VanDerWaalsContact O-N 3.12Å; R74-D205 IonicContact NH1-OD2 2.79Å; R74-D205 IonicContact NH2-OD2 2.75Å
75	R	89.1	Confident	89.4	Confident	127 Å²	127	54.9 Å²	54.9	48%	0.479	26%	0.261	S	S	.	.	H	α-helix	trans	-63.8	-26.2	176.3	-76.3	-173.6	57.3	-128.7	-6.3	113.6	R71 R72 M77 S119 T120 G121	R71-R75 WeakPolarHBondContact O-CB 3.46Å; R71-R75 VanDerWaalsContact O-CG 3.3Å; R71-R75 WeakPolarHBondContact O-CG 3.44Å; R71-R75 PolarHBondContact O-N 2.93Å; R72-R75 PolarHBondContact O-N 2.82Å; R75-M77 VanDerWaalsContact C-N 3.33Å; R75-S119 PolarHBondContact NE-OG 3.45Å; R75-T120 CarbonylContact O-C 3.59Å; R75-G121 PolarHBondContact O-N 3.3Å
76	G	91.4	Very high	87.6	Confident	29 Å²	29	48.3 Å²	48.3	30%	0.299	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.6	176.3	0	0	0	0	0	114.4	R72 L73 R74 F78 G121	R72-G76 PolarHBondContact O-N 3.21Å; L73-G76 PolarHBondContact O-N 2.99Å; R74-G76 PolarHBondContact O-N 3.42Å; G76-F78 PolarHBondContact O-N 3.4Å; G76-G121 WeakPolarHBondContact O-CA 3.43Å
77	M	95	Very high	85.5	Confident	10 Å²	10	51.9 Å²	51.9	5%	0.049	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-69.8	131.2	179.4	-64.8	177	-177.7	0	0	110.8	F21 L73 R74 R75 T120 G121 R144 D146 V207	F21-M77 HydrophobicContact CD1-CE 3.47Å; F21-M77 VanDerWaalsContact CD1-CE 3.47Å; F21-M77 HydrophobicContact CE1-CE 3.35Å; F21-M77 HydrophobicContact CE2-CE 4.45Å; F21-M77 HydrophobicContact CG-CE 4.08Å; F21-M77 HydrophobicContact CZ-CE 3.89Å; L73-M77 WeakPolarHBondContact O-CG 3.36Å; R74-M77 HydrophobicContact CB-CE 4.41Å; R74-M77 HydrophobicContact CG-CE 3.87Å; R74-M77 HydrophobicContact CG-SD 4.4Å; R74-M77 WeakPolarHBondContact O-CB 3.47Å; R74-M77 WeakPolarHBondContact O-CG 3.41Å; R74-M77 PolarHBondContact O-N 3.17Å; R74-M77 VanDerWaalsContact O-N 3.12Å; R75-M77 VanDerWaalsContact C-N 3.33Å; M77-T120 WeakPolarHBondContact O-CA 3.4Å; M77-G121 PolarHBondContact O-N 2.87Å; M77-R144 CarbonylContact C-O 3.53Å; M77-R144 WeakPolarHBondContact CA-O 3.31Å; M77-R144 HydrophobicContact CG-CB 3.82Å; M77-D146 HydrophobicContact CB-CB 4.41Å; M77-V207 HydrophobicContact CE-CB 4.33Å; M77-V207 HydrophobicContact CE-CG1 3.62Å; M77-V207 HydrophobicContact CE-CG2 3.71Å; M77-V207 HydrophobicContact SD-CG1 4.01Å; M77-V207 HydrophobicContact SD-CG2 3.92Å
78	F	94.6	Very high	83.4	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.009	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	133.3	173	-65.3	-64.6	0	0	0	111	G76 G121 V123 F126 V143 R144 F145 D146 R185 V187	G76-F78 PolarHBondContact O-N 3.4Å; F78-G121 VanDerWaalsContact CD1-O 3.3Å; F78-G121 WeakPolarHBondContact CD1-O 3.12Å; F78-V123 HydrophobicContact CE1-CG1 4.35Å; F78-F126 HydrophobicContact CE1-CB 4.08Å; F78-F126 HydrophobicContact CE1-CG 4.45Å; F78-F126 HydrophobicContact CE2-CB 4.18Å; F78-F126 HydrophobicContact CE2-CD2 4.29Å; F78-F126 HydrophobicContact CE2-CG 4.22Å; F78-F126 HydrophobicContact CZ-CB 3.42Å; F78-F126 VanDerWaalsContact CZ-CB 3.42Å; F78-F126 AromaticContact CZ-CD1 3.89Å; F78-F126 HydrophobicContact CZ-CD1 3.89Å; F78-F126 HydrophobicContact CZ-CD2 4.01Å; F78-F126 AromaticContact CZ-CG 3.5Å; F78-F126 HydrophobicContact CZ-CG 3.5Å; F78-V143 HydrophobicContact CE2-CB 4.2Å; F78-V143 HydrophobicContact CE2-CG1 4.31Å; F78-R144 PolarHBondContact N-O 2.92Å; F78-F145 HydrophobicContact CB-CD1 3.59Å; F78-F145 HydrophobicContact CB-CE1 4.02Å; F78-F145 HydrophobicContact CB-CG 4.31Å; F78-F145 HydrophobicContact CD2-CD1 4.09Å; F78-F145 AromaticContact CD2-CE1 3.81Å; F78-F145 HydrophobicContact CD2-CE1 3.81Å; F78-F145 HydrophobicContact CD2-CZ 4.16Å; F78-F145 HydrophobicContact CG-CD1 4.26Å; F78-F145 HydrophobicContact CG-CE1 4.23Å; F78-F145 CarbonylContact O-C 3.58Å; F78-F145 WeakPolarHBondContact O-CA 3.43Å; F78-D146 PolarHBondContact O-N 3.49Å; F78-R185 HydrophobicContact CB-CG 3.99Å; F78-R185 HydrophobicContact CG-CG 4.38Å; F78-V187 HydrophobicContact CD2-CG2 3.84Å; F78-V187 HydrophobicContact CE2-CG1 4.3Å; F78-V187 HydrophobicContact CE2-CG2 3.47Å; F78-V187 VanDerWaalsContact CE2-CG2 3.47Å; F78-V187 HydrophobicContact CZ-CG1 4.45Å; F78-V187 HydrophobicContact CZ-CG2 3.88Å
79	A	92.3	Very high	81.2	Confident	23 Å²	23	52.9 Å²	52.9	19%	0.19	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	146.5	166	0	0	0	0	0	110.7	T120 R185	A79-T120 HydrophobicContact CB-CG2 3.53Å; A79-R185 WeakPolarHBondContact O-CD 3.36Å
80	L	91.9	Very high	79	Confident	17 Å²	17	59.9 Å²	59.9	9%	0.089	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-77.7	129	166.1	-55.6	-176.5	0	0	0	109.6	F145 A147 F150 V166 A168 F183 R185	L80-F145 HydrophobicContact CD2-CB 4.5Å; L80-F145 HydrophobicContact CD2-CD1 4.19Å; L80-A147 HydrophobicContact CD1-CB 4.46Å; L80-F150 HydrophobicContact CD1-CD2 4.32Å; L80-F150 HydrophobicContact CD1-CE2 4.06Å; L80-F150 HydrophobicContact CD1-CZ 4.46Å; L80-V166 HydrophobicContact CD1-CG1 4.37Å; L80-V166 HydrophobicContact CD2-CB 4.03Å; L80-V166 HydrophobicContact CD2-CG1 3.66Å; L80-A168 HydrophobicContact CD1-CB 3.69Å; L80-F183 HydrophobicContact CB-CB 3.74Å; L80-R185 HydrophobicContact CD2-CB 3.76Å
81	L	88.7	Confident	77	Confident	7 Å²	7	62.6 Å²	62.6	4%	0.037	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	138.9	-174.1	-59.9	178.4	0	0	0	110.9	L83 F86 M98 M101 I105 F183 C184	L81-L83 PolarHBondContact O-N 3.32Å; L81-F86 HydrophobicContact CB-CE2 3.89Å; L81-F86 HydrophobicContact CB-CZ 4.26Å; L81-F86 HydrophobicContact CD1-CZ 4.24Å; L81-M98 HydrophobicContact CD1-CG 4.18Å; L81-M101 HydrophobicContact CB-CE 3.88Å; L81-M101 HydrophobicContact CD1-CB 4.07Å; L81-M101 HydrophobicContact CD1-CE 3.78Å; L81-M101 HydrophobicContact CD1-SD 3.73Å; L81-M101 HydrophobicContact CD2-CE 3.98Å; L81-M101 HydrophobicContact CG-CE 4.08Å; L81-I105 HydrophobicContact CD2-CD1 4.07Å; L81-F183 CarbonylContact O-C 3.55Å; L81-F183 WeakPolarHBondContact O-CA 3.48Å; L81-C184 PolarHBondContact N-O 3.28Å; L81-C184 PolarHBondContact O-N 3.12Å
82	P	86.8	Confident	75.7	Confident	48 Å²	48	63.8 Å²	63.8	31%	0.312	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	128.9	178.6	-25.9	35	0	0	0	113.1	D84 T85 F86 F183	P82-D84 VanDerWaalsContact C-N 3.32Å; P82-D84 WeakPolarHBondContact CB-OD1 3.44Å; P82-D84 PolarHBondContact O-N 2.96Å; P82-T85 WeakPolarHBondContact O-CB 3.29Å; P82-T85 PolarHBondContact O-N 2.83Å; P82-T85 VanDerWaalsContact O-N 3.16Å; P82-T85 PolarHBondContact O-OG1 2.78Å; P82-T85 VanDerWaalsContact O-OG1 3.06Å; P82-F86 WeakPolarHBondContact O-CD2 3.43Å; P82-F183 HydrophobicContact CB-CD1 4.42Å; P82-F183 HydrophobicContact CB-CE1 4.38Å; P82-F183 HydrophobicContact CG-CD1 4.06Å; P82-F183 HydrophobicContact CG-CE1 3.85Å
83	L	79.2	Confident	75.1	Confident	47 Å²	47	64.2 Å²	64.2	25%	0.246	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-70.9	-24.8	-175.7	-165.2	71.7	0	0	0	113	L81 T85 F86 T87 E182 C184	L81-L83 PolarHBondContact O-N 3.32Å; L83-T85 PolarHBondContact O-N 3.28Å; L83-T85 VanDerWaalsContact O-N 3.13Å; L83-F86 HydrophobicContact CD1-CB 3.97Å; L83-F86 HydrophobicContact CD1-CD2 4.1Å; L83-F86 HydrophobicContact CD1-CG 4.17Å; L83-F86 HydrophobicContact CG-CB 4.47Å; L83-F86 WeakPolarHBondContact O-CA 3.5Å; L83-F86 VanDerWaalsContact O-CB 3.24Å; L83-F86 WeakPolarHBondContact O-CB 3.37Å; L83-F86 PolarHBondContact O-N 2.92Å; L83-T87 PolarHBondContact O-N 2.76Å; L83-E182 HydrophobicContact CB-CB 3.86Å; L83-E182 WeakPolarHBondContact CB-O 3.45Å; L83-E182 HydrophobicContact CD2-CB 4.03Å; L83-E182 WeakPolarHBondContact CD2-OE2 3.1Å; L83-E182 PolarHBondContact N-O 2.83Å; L83-C184 HydrophobicContact CD1-CB 3.74Å
84	D	72.6	Confident	74.4	Confident	101 Å²	101	65 Å²	65	54%	0.54	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-59.3	-21.1	171.1	56.4	-5.8	0	0	0	113	P82 F86 T87 H88	P82-D84 VanDerWaalsContact C-N 3.32Å; P82-D84 WeakPolarHBondContact CB-OD1 3.44Å; P82-D84 PolarHBondContact O-N 2.96Å; D84-F86 VanDerWaalsContact C-N 3.27Å; D84-T87 WeakPolarHBondContact CA-OG1 3.06Å; D84-T87 PolarHBondContact O-OG1 2.79Å; D84-H88 PolarHBondContact O-ND1 3.44Å
85	T	59.2	Low	74	Confident	55 Å²	55	61.6 Å²	61.6	34%	0.337	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-69.7	-26.8	170.5	-48	0	0	0	0	112.2	P82 L83 M101	P82-T85 WeakPolarHBondContact O-CB 3.29Å; P82-T85 PolarHBondContact O-N 2.83Å; P82-T85 VanDerWaalsContact O-N 3.16Å; P82-T85 PolarHBondContact O-OG1 2.78Å; P82-T85 VanDerWaalsContact O-OG1 3.06Å; L83-T85 PolarHBondContact O-N 3.28Å; L83-T85 VanDerWaalsContact O-N 3.13Å; T85-M101 HydrophobicContact CG2-CE 3.62Å; T85-M101 HydrophobicContact CG2-SD 3.55Å; T85-M101 VanDerWaalsContact CG2-SD 3.55Å
86	F	57.4	Low	73.6	Confident	12 Å²	12	57.9 Å²	57.9	5%	0.053	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-16.1	-177.4	-69.6	-90.5	0	0	0	112.6	L81 P82 L83 D84 L91 L97 M98 M101	L81-F86 HydrophobicContact CB-CE2 3.89Å; L81-F86 HydrophobicContact CB-CZ 4.26Å; L81-F86 HydrophobicContact CD1-CZ 4.24Å; P82-F86 WeakPolarHBondContact O-CD2 3.43Å; L83-F86 HydrophobicContact CD1-CB 3.97Å; L83-F86 HydrophobicContact CD1-CD2 4.1Å; L83-F86 HydrophobicContact CD1-CG 4.17Å; L83-F86 HydrophobicContact CG-CB 4.47Å; L83-F86 WeakPolarHBondContact O-CA 3.5Å; L83-F86 VanDerWaalsContact O-CB 3.24Å; L83-F86 WeakPolarHBondContact O-CB 3.37Å; L83-F86 PolarHBondContact O-N 2.92Å; D84-F86 VanDerWaalsContact C-N 3.27Å; F86-L91 HydrophobicContact CB-CD1 3.56Å; F86-L91 HydrophobicContact CD1-CD1 3.72Å; F86-L91 HydrophobicContact CD1-CD2 3.94Å; F86-L91 HydrophobicContact CD1-CG 4.48Å; F86-L91 HydrophobicContact CG-CD1 4.11Å; F86-L91 VanDerWaalsContact O-CD1 3.23Å; F86-L91 WeakPolarHBondContact O-CD1 3.13Å; F86-L97 HydrophobicContact CD1-CD2 3.5Å; F86-L97 VanDerWaalsContact CD1-CD2 3.5Å; F86-L97 HydrophobicContact CD1-CG 4.47Å; F86-L97 HydrophobicContact CE1-CD2 3.73Å; F86-L97 HydrophobicContact CE1-CG 4.24Å; F86-L97 HydrophobicContact CG-CD2 4.03Å; F86-L97 HydrophobicContact CZ-CD2 4.48Å; F86-M98 HydrophobicContact CE1-CE 3.6Å; F86-M98 HydrophobicContact CE1-CG 3.99Å; F86-M98 HydrophobicContact CZ-CE 3.6Å; F86-M98 HydrophobicContact CZ-CG 3.92Å; F86-M101 HydrophobicContact CE2-SD 4.43Å; F86-M101 HydrophobicContact CZ-SD 4.29Å
87	T	52.4	Low	73.1	Confident	102 Å²	102	58.3 Å²	58.3	63%	0.626	33%	0.329	S	S	*	.	S	Bend	trans	-83.9	-7.2	-177.6	52.2	0	0	0	0	114.6	L83 D84 G89	L83-T87 PolarHBondContact O-N 2.76Å; D84-T87 WeakPolarHBondContact CA-OG1 3.06Å; D84-T87 PolarHBondContact O-OG1 2.79Å; T87-G89 PolarHBondContact O-N 3.47Å; T87-G89 VanDerWaalsContact O-N 3.15Å
88	H	51.4	Low	72.7	Confident	169 Å²	169	57.9 Å²	57.9	78%	0.782	33%	0.327	S	S	*	.	S	Bend	trans	-84.8	82.9	175.3	-77.2	82.1	0	0	0	111.3	D84	D84-H88 PolarHBondContact O-ND1 3.44Å
89	G	46.3	Very low	72.2	Confident	56 Å²	56	60.8 Å²	60.8	58%	0.577	34%	0.341	S	S	*	.	S	Bend	trans	88.5	107.2	173.2	0	0	0	0	0	112.5	T87 L91	T87-G89 PolarHBondContact O-N 3.47Å; T87-G89 VanDerWaalsContact O-N 3.15Å; G89-L91 PolarHBondContact O-N 3Å
90	I	46.3	Very low	71.9	Confident	161 Å²	161	65.2 Å²	65.2	83%	0.826	36%	0.358	S	S	*	.			trans	1.5	100.6	162.4	-51.7	172.3	0	0	0	112.1	E92	I90-E92 VanDerWaalsContact C-N 3.26Å; I90-E92 PolarHBondContact O-N 3.28Å
91	L	54.4	Low	71.5	Confident	70 Å²	70	65.8 Å²	65.8	37%	0.366	36%	0.36	S	S	.	.			trans	-62.8	87.8	180	-90.1	146.1	0	0	0	110.9	F86 G89 N93 P94 L97	F86-L91 HydrophobicContact CB-CD1 3.56Å; F86-L91 HydrophobicContact CD1-CD1 3.72Å; F86-L91 HydrophobicContact CD1-CD2 3.94Å; F86-L91 HydrophobicContact CD1-CG 4.48Å; F86-L91 HydrophobicContact CG-CD1 4.11Å; F86-L91 VanDerWaalsContact O-CD1 3.23Å; F86-L91 WeakPolarHBondContact O-CD1 3.13Å; G89-L91 PolarHBondContact O-N 3Å; L91-N93 VanDerWaalsContact C-N 3.27Å; L91-P94 VanDerWaalsContact CD2-CA 3.44Å; L91-P94 HydrophobicContact CD2-CB 3.88Å; L91-L97 HydrophobicContact CD2-CB 4.31Å; L91-L97 HydrophobicContact CD2-CD2 3.95Å
92	E	64.1	Low	71.4	Confident	149 Å²	149	65.9 Å²	65.9	70%	0.696	36%	0.361	S	S	*	.	S	Bend	trans	-64	-40.4	167.9	-71.1	-173.6	171.2	0	0	108.3	I90 I352	I90-E92 VanDerWaalsContact C-N 3.26Å; I90-E92 PolarHBondContact O-N 3.28Å; E92-I352 WeakPolarHBondContact O-CD1 3.35Å
93	N	77.4	Confident	71.3	Confident	56 Å²	56	70.8 Å²	70.8	30%	0.299	37%	0.373	S	S	.	.			trans	-142.3	98.3	177.6	-168.8	-21.4	0	0	0	113.9	L91 F95 A96 L97 I352	L91-N93 VanDerWaalsContact C-N 3.27Å; N93-F95 VanDerWaalsContact C-N 3.32Å; N93-F95 PolarHBondContact O-N 2.88Å; N93-F95 PolarHBondContact OD1-N 3.31Å; N93-A96 HydrophobicContact CB-CB 3.92Å; N93-A96 PolarHBondContact O-N 3.2Å; N93-A96 PolarHBondContact OD1-N 3.2Å; N93-L97 PolarHBondContact O-N 2.75Å; N93-I352 HydrophobicContact CB-CD1 4.3Å
94	P	80.1	Confident	71.6	Confident	22 Å²	22	73.8 Å²	73.8	14%	0.143	39%	0.386	C	S	.	.	H	α-helix	trans	-62.6	-32.6	-179.8	23.7	-33.2	0	0	0	114.5	L91 L97 M98 M186	L91-P94 VanDerWaalsContact CD2-CA 3.44Å; L91-P94 HydrophobicContact CD2-CB 3.88Å; P94-L97 PolarHBondContact O-N 3.13Å; P94-M98 WeakPolarHBondContact O-CG 3.46Å; P94-M98 PolarHBondContact O-N 2.76Å; P94-M186 HydrophobicContact CB-SD 3.82Å; P94-M186 HydrophobicContact CG-SD 3.97Å
95	F	82.5	Confident	72	Confident	30 Å²	30	70.7 Å²	70.7	13%	0.132	37%	0.369	C	S	.	.	H	α-helix	trans	-71.1	-35.8	179	-67.1	-72.9	0	0	0	112	N93 L97 M98 H99 R163 M186 Q188	N93-F95 VanDerWaalsContact C-N 3.32Å; N93-F95 PolarHBondContact O-N 2.88Å; N93-F95 PolarHBondContact OD1-N 3.31Å; F95-L97 VanDerWaalsContact C-N 3.33Å; F95-L97 PolarHBondContact O-N 3.42Å; F95-M98 PolarHBondContact O-N 2.91Å; F95-H99 WeakPolarHBondContact O-CB 3.41Å; F95-H99 PolarHBondContact O-N 2.86Å; F95-R163 HydrophobicContact CZ-CB 4.33Å; F95-M186 HydrophobicContact CE1-CB 3.9Å; F95-M186 HydrophobicContact CZ-CB 4.17Å; F95-Q188 HydrophobicContact CE1-CB 4.18Å; F95-Q188 HydrophobicContact CZ-CB 4.17Å
96	A	81.6	Confident	73.1	Confident	49 Å²	49	71.4 Å²	71.4	41%	0.405	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-41.8	174.4	0	0	0	0	0	111.6	N93 H99 Q100	N93-A96 HydrophobicContact CB-CB 3.92Å; N93-A96 PolarHBondContact O-N 3.2Å; N93-A96 PolarHBondContact OD1-N 3.2Å; A96-H99 PolarHBondContact O-N 3.47Å; A96-Q100 WeakPolarHBondContact O-CB 3.39Å; A96-Q100 PolarHBondContact O-N 2.67Å
97	L	82	Confident	74.4	Confident	39 Å²	39	73.2 Å²	73.2	20%	0.204	38%	0.378	C	S	.	.	H	α-helix	trans	-64.7	-47.3	174.6	-179.8	61	0	0	0	111.5	F86 L91 N93 P94 F95 H99 Q100 M101	F86-L97 HydrophobicContact CD1-CD2 3.5Å; F86-L97 VanDerWaalsContact CD1-CD2 3.5Å; F86-L97 HydrophobicContact CD1-CG 4.47Å; F86-L97 HydrophobicContact CE1-CD2 3.73Å; F86-L97 HydrophobicContact CE1-CG 4.24Å; F86-L97 HydrophobicContact CG-CD2 4.03Å; F86-L97 HydrophobicContact CZ-CD2 4.48Å; L91-L97 HydrophobicContact CD2-CB 4.31Å; L91-L97 HydrophobicContact CD2-CD2 3.95Å; N93-L97 PolarHBondContact O-N 2.75Å; P94-L97 PolarHBondContact O-N 3.13Å; F95-L97 VanDerWaalsContact C-N 3.33Å; F95-L97 PolarHBondContact O-N 3.42Å; L97-H99 VanDerWaalsContact C-N 3.31Å; L97-H99 PolarHBondContact O-N 2.79Å; L97-Q100 WeakPolarHBondContact O-CB 3.48Å; L97-Q100 PolarHBondContact O-N 2.57Å; L97-Q100 VanDerWaalsContact O-N 3.12Å; L97-M101 HydrophobicContact CD1-CG 4.33Å; L97-M101 HydrophobicContact CD1-SD 4.4Å; L97-M101 HydrophobicContact CG-SD 4.15Å; L97-M101 WeakPolarHBondContact O-CG 3.37Å; L97-M101 PolarHBondContact O-N 2.89Å
98	M	86.1	Confident	75.8	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-42.5	177.2	-70.9	-177.4	-172.1	0	0	111.9	L81 F86 P94 F95 Q100 M101 D102 V123 M186	L81-M98 HydrophobicContact CD1-CG 4.18Å; F86-M98 HydrophobicContact CE1-CE 3.6Å; F86-M98 HydrophobicContact CE1-CG 3.99Å; F86-M98 HydrophobicContact CZ-CE 3.6Å; F86-M98 HydrophobicContact CZ-CG 3.92Å; P94-M98 WeakPolarHBondContact O-CG 3.46Å; P94-M98 PolarHBondContact O-N 2.76Å; F95-M98 PolarHBondContact O-N 2.91Å; M98-Q100 VanDerWaalsContact C-N 3.35Å; M98-Q100 PolarHBondContact O-N 3.21Å; M98-M101 PolarHBondContact O-N 2.87Å; M98-D102 WeakPolarHBondContact O-CB 3.38Å; M98-D102 PolarHBondContact O-N 2.89Å; M98-V123 HydrophobicContact CB-CG1 4.18Å; M98-V123 HydrophobicContact CB-CG2 4.47Å; M98-M186 HydrophobicContact CE-CB 3.7Å; M98-M186 HydrophobicContact CE-CG 3.75Å; M98-M186 VanDerWaalsContact CE-N 3.29Å; M98-M186 HydrophobicContact CE-SD 4.18Å; M98-M186 HydrophobicContact SD-CB 3.86Å; M98-M186 PolarHBondContact SD-N 3.09Å; M98-M186 VanDerWaalsContact SD-N 3.35Å
99	H	83.8	Confident	77	Confident	63 Å²	63	65.8 Å²	65.8	29%	0.292	34%	0.335	S	S	.	.	H	α-helix	trans	-62.7	-40.2	174.7	176.8	-110.1	0	0	0	112.3	F95 A96 L97 M101 D102 R103 V123 S124	F95-H99 WeakPolarHBondContact O-CB 3.41Å; F95-H99 PolarHBondContact O-N 2.86Å; A96-H99 PolarHBondContact O-N 3.47Å; L97-H99 VanDerWaalsContact C-N 3.31Å; L97-H99 PolarHBondContact O-N 2.79Å; H99-M101 VanDerWaalsContact C-N 3.34Å; H99-D102 PolarHBondContact O-N 3.18Å; H99-R103 WeakPolarHBondContact O-CG 3.38Å; H99-R103 PolarHBondContact O-N 2.9Å; H99-V123 HydrophobicContact CB-CG2 4.04Å; H99-S124 PolarHBondContact CD2-OG 2.71Å
100	Q	84.8	Confident	78.7	Confident	117 Å²	117	69.3 Å²	69.3	55%	0.547	34%	0.337	S	S	.	.	H	α-helix	trans	-62	-43	173.4	177.8	178.9	-35.9	0	0	111.6	A96 L97 M98 R103 H104	A96-Q100 WeakPolarHBondContact O-CB 3.39Å; A96-Q100 PolarHBondContact O-N 2.67Å; L97-Q100 WeakPolarHBondContact O-CB 3.48Å; L97-Q100 PolarHBondContact O-N 2.57Å; L97-Q100 VanDerWaalsContact O-N 3.12Å; M98-Q100 VanDerWaalsContact C-N 3.35Å; M98-Q100 PolarHBondContact O-N 3.21Å; Q100-R103 PolarHBondContact O-N 2.88Å; Q100-H104 WeakPolarHBondContact O-CB 3.43Å; Q100-H104 PolarHBondContact O-N 2.86Å
101	M	84.8	Confident	80.4	Confident	28 Å²	28	70.7 Å²	70.7	14%	0.138	33%	0.332	C	S	.	.	H	α-helix	trans	-66.1	-42.4	177.7	-68	-180	71	0	0	111.8	L81 T85 F86 L97 M98 H99 R103 H104 I105	L81-M101 HydrophobicContact CB-CE 3.88Å; L81-M101 HydrophobicContact CD1-CB 4.07Å; L81-M101 HydrophobicContact CD1-CE 3.78Å; L81-M101 HydrophobicContact CD1-SD 3.73Å; L81-M101 HydrophobicContact CD2-CE 3.98Å; L81-M101 HydrophobicContact CG-CE 4.08Å; T85-M101 HydrophobicContact CG2-CE 3.62Å; T85-M101 HydrophobicContact CG2-SD 3.55Å; T85-M101 VanDerWaalsContact CG2-SD 3.55Å; F86-M101 HydrophobicContact CE2-SD 4.43Å; F86-M101 HydrophobicContact CZ-SD 4.29Å; L97-M101 HydrophobicContact CD1-CG 4.33Å; L97-M101 HydrophobicContact CD1-SD 4.4Å; L97-M101 HydrophobicContact CG-SD 4.15Å; L97-M101 WeakPolarHBondContact O-CG 3.37Å; L97-M101 PolarHBondContact O-N 2.89Å; M98-M101 PolarHBondContact O-N 2.87Å; H99-M101 VanDerWaalsContact C-N 3.34Å; M101-R103 VanDerWaalsContact C-N 3.32Å; M101-R103 PolarHBondContact O-N 3.46Å; M101-H104 WeakPolarHBondContact O-CB 3.19Å; M101-H104 PolarHBondContact O-N 3.25Å; M101-I105 WeakPolarHBondContact O-CG1 3.4Å; M101-I105 PolarHBondContact O-N 3.08Å
102	D	85.7	Confident	81.3	Confident	10 Å²	10	72.7 Å²	72.7	5%	0.053	34%	0.341	C	S	.	.	H	α-helix	trans	-58.1	-45.5	175.2	-70.2	-15.5	0	0	0	111	M98 H99 H104 I105 Q106 S122 V123 R185	M98-D102 WeakPolarHBondContact O-CB 3.38Å; M98-D102 PolarHBondContact O-N 2.89Å; H99-D102 PolarHBondContact O-N 3.18Å; D102-H104 VanDerWaalsContact C-N 3.3Å; D102-H104 PolarHBondContact O-N 3.39Å; D102-I105 PolarHBondContact O-N 2.95Å; D102-Q106 WeakPolarHBondContact O-CB 3.42Å; D102-Q106 PolarHBondContact O-N 2.95Å; D102-S122 WeakPolarHBondContact OD2-CA 3.34Å; D102-V123 PolarHBondContact OD2-N 3.49Å; D102-R185 IonicContact OD1-CZ 3.84Å; D102-R185 VanDerWaalsContact OD1-CZ 3.24Å; D102-R185 IonicContact OD1-NH1 3.64Å; D102-R185 PolarHBondContact OD1-NH1 3.49Å; D102-R185 IonicContact OD1-NH2 3.13Å; D102-R185 PolarHBondContact OD1-NH2 3.24Å; D102-R185 IonicContact OD2-CZ 3.03Å; D102-R185 IonicContact OD2-NH1 2.73Å; D102-R185 IonicContact OD2-NH2 2.92Å; D102-R185 PolarHBondContact OD2-NH2 3.15Å
103	R	84.6	Confident	81.3	Confident	151 Å²	151	69 Å²	69	57%	0.57	34%	0.342	S	S	*	.	H	α-helix	trans	-62.1	-38	174.2	-72.4	-167.3	-60.1	142.7	-0.1	112.3	H99 Q100 M101 Q106 D107	H99-R103 WeakPolarHBondContact O-CG 3.38Å; H99-R103 PolarHBondContact O-N 2.9Å; Q100-R103 PolarHBondContact O-N 2.88Å; M101-R103 VanDerWaalsContact C-N 3.32Å; M101-R103 PolarHBondContact O-N 3.46Å; R103-Q106 PolarHBondContact O-N 3.25Å; R103-D107 WeakPolarHBondContact O-CB 3.22Å; R103-D107 PolarHBondContact O-N 2.95Å
104	H	85.2	Confident	80.2	Confident	110 Å²	110	67.8 Å²	67.8	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-69	-44.1	179.4	-172.9	56.7	0	0	0	112.5	Q100 M101 D102 Q106 D107 I108	Q100-H104 WeakPolarHBondContact O-CB 3.43Å; Q100-H104 PolarHBondContact O-N 2.86Å; M101-H104 WeakPolarHBondContact O-CB 3.19Å; M101-H104 PolarHBondContact O-N 3.25Å; D102-H104 VanDerWaalsContact C-N 3.3Å; D102-H104 PolarHBondContact O-N 3.39Å; H104-Q106 VanDerWaalsContact C-N 3.26Å; H104-Q106 PolarHBondContact O-N 3.46Å; H104-D107 PolarHBondContact O-N 3.48Å; H104-I108 WeakPolarHBondContact NE2-CD1 3.43Å; H104-I108 WeakPolarHBondContact O-CG1 3.18Å; H104-I108 PolarHBondContact O-N 3.46Å
105	I	82.4	Confident	79.1	Confident	36 Å²	36	74.8 Å²	74.8	19%	0.185	37%	0.371	C	S	.	.	H	α-helix	trans	-57.7	-43.1	173.7	-68.4	167.5	0	0	0	110.1	L81 M101 D102 I108 R109 V117 T120	L81-I105 HydrophobicContact CD2-CD1 4.07Å; M101-I105 WeakPolarHBondContact O-CG1 3.4Å; M101-I105 PolarHBondContact O-N 3.08Å; D102-I105 PolarHBondContact O-N 2.95Å; I105-I108 PolarHBondContact O-N 3.15Å; I105-R109 WeakPolarHBondContact O-CB 3.27Å; I105-R109 PolarHBondContact O-N 3.23Å; I105-V117 HydrophobicContact CG2-CG1 4.18Å; I105-T120 HydrophobicContact CG2-CG2 4.46Å
106	Q	81.7	Confident	77.8	Confident	70 Å²	70	80.1 Å²	80.1	33%	0.327	40%	0.401	S	S	.	.	H	α-helix	trans	-66.3	-43.3	178	-176.6	58.7	27.6	0	0	112.6	D102 R103 H104 R109 E110	D102-Q106 WeakPolarHBondContact O-CB 3.42Å; D102-Q106 PolarHBondContact O-N 2.95Å; R103-Q106 PolarHBondContact O-N 3.25Å; H104-Q106 VanDerWaalsContact C-N 3.26Å; H104-Q106 PolarHBondContact O-N 3.46Å; Q106-R109 WeakPolarHBondContact O-CB 3.44Å; Q106-R109 PolarHBondContact O-N 3.22Å; Q106-E110 PolarHBondContact NE2-OE1 2.8Å; Q106-E110 WeakPolarHBondContact O-CG 3.26Å; Q106-E110 PolarHBondContact O-N 2.81Å
107	D	84.2	Confident	76.6	Confident	50 Å²	50	79.4 Å²	79.4	27%	0.267	39%	0.392	S	S	.	.	H	α-helix	trans	-62.8	-42.4	175.3	175.7	57.1	0	0	0	111.7	R103 H104 R109 E110 R111	R103-D107 WeakPolarHBondContact O-CB 3.22Å; R103-D107 PolarHBondContact O-N 2.95Å; H104-D107 PolarHBondContact O-N 3.48Å; D107-R109 VanDerWaalsContact C-N 3.29Å; D107-R109 PolarHBondContact O-N 3.25Å; D107-E110 PolarHBondContact O-N 2.75Å; D107-R111 VanDerWaalsContact CG-NE 3.28Å; D107-R111 WeakPolarHBondContact O-CB 3.38Å; D107-R111 VanDerWaalsContact O-CG 3.27Å; D107-R111 WeakPolarHBondContact O-CG 3.35Å; D107-R111 PolarHBondContact O-N 3.23Å; D107-R111 IonicContact OD1-CZ 3.95Å; D107-R111 IonicContact OD1-NE 2.61Å; D107-R111 PolarHBondContact OD1-NE 3.41Å; D107-R111 IonicContact OD1-NH2 3.41Å; D107-R111 PolarHBondContact OD1-NH2 3.03Å; D107-R111 IonicContact OD2-CZ 3.17Å; D107-R111 IonicContact OD2-NE 3.7Å; D107-R111 PolarHBondContact OD2-NE 2.87Å; D107-R111 IonicContact OD2-NH2 3.26Å; D107-R111 PolarHBondContact OD2-NH2 2.7Å
108	I	81.7	Confident	75.5	Confident	56 Å²	56	81.5 Å²	81.5	29%	0.287	41%	0.408	S	S	.	.	H	α-helix	trans	-57.3	-46	173.4	-74.3	168	0	0	0	110.5	H104 I105 R111 M112 V117	H104-I108 WeakPolarHBondContact NE2-CD1 3.43Å; H104-I108 WeakPolarHBondContact O-CG1 3.18Å; H104-I108 PolarHBondContact O-N 3.46Å; I105-I108 PolarHBondContact O-N 3.15Å; I108-R111 PolarHBondContact O-N 3.25Å; I108-M112 HydrophobicContact CG2-CE 3.42Å; I108-M112 VanDerWaalsContact CG2-CE 3.42Å; I108-M112 HydrophobicContact CG2-CG 4.28Å; I108-M112 HydrophobicContact CG2-SD 4.04Å; I108-M112 WeakPolarHBondContact O-CB 3.31Å; I108-M112 WeakPolarHBondContact O-CG 3.44Å; I108-M112 PolarHBondContact O-N 3.35Å; I108-V117 HydrophobicContact CG2-CG2 4.33Å
109	R	78	Confident	74.6	Confident	58 Å²	58	82.2 Å²	82.2	22%	0.219	41%	0.412	C	S	.	.	H	α-helix	trans	-63.3	-44.2	179.5	-174.2	-177.5	-176.3	-163.1	5.9	112.4	I105 Q106 D107 R111 G113 V117 S119	I105-R109 WeakPolarHBondContact O-CB 3.27Å; I105-R109 PolarHBondContact O-N 3.23Å; Q106-R109 WeakPolarHBondContact O-CB 3.44Å; Q106-R109 PolarHBondContact O-N 3.22Å; D107-R109 VanDerWaalsContact C-N 3.29Å; D107-R109 PolarHBondContact O-N 3.25Å; R109-R111 VanDerWaalsContact C-N 3.34Å; R109-G113 PolarHBondContact O-N 3.39Å; R109-V117 HydrophobicContact CB-CB 4.47Å; R109-S119 PolarHBondContact NH1-OG 3.38Å
110	E	81.6	Confident	74.2	Confident	131 Å²	131	80.7 Å²	80.7	61%	0.612	41%	0.407	S	S	*	.	H	α-helix	trans	-62.6	-40.4	176.9	-74.3	172.5	-167.2	0	0	111.8	Q106 D107	Q106-E110 PolarHBondContact NE2-OE1 2.8Å; Q106-E110 WeakPolarHBondContact O-CG 3.26Å; Q106-E110 PolarHBondContact O-N 2.81Å; D107-E110 PolarHBondContact O-N 2.75Å
111	R	82	Confident	74.1	Confident	190 Å²	190	75.3 Å²	75.3	72%	0.717	38%	0.384	S	S	*	.	H	α-helix	trans	-73.1	-42	179	-71.4	179.1	-168	-159.9	7.8	113.6	D107 I108 R109 G113	D107-R111 VanDerWaalsContact CG-NE 3.28Å; D107-R111 WeakPolarHBondContact O-CB 3.38Å; D107-R111 VanDerWaalsContact O-CG 3.27Å; D107-R111 WeakPolarHBondContact O-CG 3.35Å; D107-R111 PolarHBondContact O-N 3.23Å; D107-R111 IonicContact OD1-CZ 3.95Å; D107-R111 IonicContact OD1-NE 2.61Å; D107-R111 PolarHBondContact OD1-NE 3.41Å; D107-R111 IonicContact OD1-NH2 3.41Å; D107-R111 PolarHBondContact OD1-NH2 3.03Å; D107-R111 IonicContact OD2-CZ 3.17Å; D107-R111 IonicContact OD2-NE 3.7Å; D107-R111 PolarHBondContact OD2-NE 2.87Å; D107-R111 IonicContact OD2-NH2 3.26Å; D107-R111 PolarHBondContact OD2-NH2 2.7Å; I108-R111 PolarHBondContact O-N 3.25Å; R109-R111 VanDerWaalsContact C-N 3.34Å; R111-G113 PolarHBondContact O-N 2.85Å
112	M	72.2	Confident	74	Confident	112 Å²	112	75.6 Å²	75.6	55%	0.552	39%	0.388	S	S	*	.	H	α-helix	trans	-76.2	-12.9	-177.8	-66.7	-162.7	-47.9	0	0	112.2	I108 S114 V117	I108-M112 HydrophobicContact CG2-CE 3.42Å; I108-M112 VanDerWaalsContact CG2-CE 3.42Å; I108-M112 HydrophobicContact CG2-CG 4.28Å; I108-M112 HydrophobicContact CG2-SD 4.04Å; I108-M112 WeakPolarHBondContact O-CB 3.31Å; I108-M112 WeakPolarHBondContact O-CG 3.44Å; I108-M112 PolarHBondContact O-N 3.35Å; M112-S114 PolarHBondContact O-N 2.92Å; M112-V117 HydrophobicContact CE-CG2 3.19Å
113	G	64	Low	73.9	Confident	71 Å²	71	75.7 Å²	75.7	73%	0.732	39%	0.39	S	S	*	.			trans	57	8.2	-179.2	0	0	0	0	0	113.7	R109 R111	R109-G113 PolarHBondContact O-N 3.39Å; R111-G113 PolarHBondContact O-N 2.85Å
114	S	55.2	Low	73.6	Confident	31 Å²	31	70.1 Å²	70.1	22%	0.217	37%	0.373	C	S	.	.			trans	-105.2	130.5	-170.6	-174.3	0	0	0	0	109.5	M112 D116	M112-S114 PolarHBondContact O-N 2.92Å; S114-D116 PolarHBondContact O-N 3.34Å; S114-D116 VanDerWaalsContact OG-CB 3.26Å; S114-D116 WeakPolarHBondContact OG-CB 3.39Å; S114-D116 PolarHBondContact OG-N 3.44Å; S114-D116 PolarHBondContact OG-OD2 2.68Å
115	M	56.1	Low	73.5	Confident	168 Å²	168	67.2 Å²	67.2	83%	0.828	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-6.5	168.4	-63.4	-167.1	-58.8	0	0	112.4	V117	M115-V117 PolarHBondContact O-N 3.41Å
116	D	55.3	Low	73.8	Confident	143 Å²	143	66.6 Å²	66.6	77%	0.765	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.5	-178.8	-60.1	-31.5	0	0	0	113.3	S114 P118	S114-D116 PolarHBondContact O-N 3.34Å; S114-D116 VanDerWaalsContact OG-CB 3.26Å; S114-D116 WeakPolarHBondContact OG-CB 3.39Å; S114-D116 PolarHBondContact OG-N 3.44Å; S114-D116 PolarHBondContact OG-OD2 2.68Å; D116-P118 WeakPolarHBondContact O-CD 3.39Å
117	V	58.2	Low	74.2	Confident	34 Å²	34	63.5 Å²	63.5	21%	0.206	34%	0.344	C	S	.	.	S	Bend	trans	-93.4	110.4	166.4	-176	0	0	0	0	108.3	I105 I108 R109 M112 M115 S119	I105-V117 HydrophobicContact CG2-CG1 4.18Å; I108-V117 HydrophobicContact CG2-CG2 4.33Å; R109-V117 HydrophobicContact CB-CB 4.47Å; M112-V117 HydrophobicContact CE-CG2 3.19Å; M115-V117 PolarHBondContact O-N 3.41Å; V117-S119 PolarHBondContact O-N 3.2Å
118	P	58.1	Low	74.4	Confident	83 Å²	83	63 Å²	63	54%	0.539	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-57.1	135.3	177.9	-23.2	33.8	0	0	0	110.6	D116 T120	D116-P118 WeakPolarHBondContact O-CD 3.39Å; P118-T120 PolarHBondContact O-N 3.06Å
119	S	66.9	Low	74.8	Confident	14 Å²	14	61.8 Å²	61.8	10%	0.098	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-56.8	125.4	163.6	-155.2	0	0	0	0	107.6	R75 R109 V117	R75-S119 PolarHBondContact NE-OG 3.45Å; R109-S119 PolarHBondContact NH1-OG 3.38Å; V117-S119 PolarHBondContact O-N 3.2Å
120	T	76.2	Confident	75.6	Confident	31 Å²	31	59.1 Å²	59.1	19%	0.19	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-103.5	145.6	171.2	63.3	0	0	0	0	109.2	R75 M77 A79 I105 P118	R75-T120 CarbonylContact O-C 3.59Å; M77-T120 WeakPolarHBondContact O-CA 3.4Å; A79-T120 HydrophobicContact CB-CG2 3.53Å; I105-T120 HydrophobicContact CG2-CG2 4.46Å; P118-T120 PolarHBondContact O-N 3.06Å
121	G	81.4	Confident	76.2	Confident	5 Å²	5	53.1 Å²	53.1	5%	0.052	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-56.5	140.8	170.3	0	0	0	0	0	110.7	R75 G76 M77 F78 R185	R75-G121 PolarHBondContact O-N 3.3Å; G76-G121 WeakPolarHBondContact O-CA 3.43Å; M77-G121 PolarHBondContact O-N 2.87Å; F78-G121 VanDerWaalsContact CD1-O 3.3Å; F78-G121 WeakPolarHBondContact CD1-O 3.12Å; G121-R185 PolarHBondContact O-NH2 2.85Å
122	S	83.8	Confident	76.8	Confident	33 Å²	33	44.6 Å²	44.6	23%	0.231	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-97.6	138.6	178.4	169.7	0	0	0	0	110.7	D102 S124 D125 F126	D102-S122 WeakPolarHBondContact OD2-CA 3.34Å; S122-S124 PolarHBondContact O-N 2.72Å; S122-S124 PolarHBondContact OG-N 3.18Å; S122-D125 PolarHBondContact O-N 3.36Å; S122-F126 PolarHBondContact O-N 3.21Å
123	V	82.7	Confident	77.8	Confident	13 Å²	13	39.2 Å²	39.2	8%	0.079	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.4	175.4	-64.7	0	0	0	0	113.4	F78 M98 H99 D102 F126	F78-V123 HydrophobicContact CE1-CG1 4.35Å; M98-V123 HydrophobicContact CB-CG1 4.18Å; M98-V123 HydrophobicContact CB-CG2 4.47Å; H99-V123 HydrophobicContact CB-CG2 4.04Å; D102-V123 PolarHBondContact OD2-N 3.49Å; V123-F126 WeakPolarHBondContact O-CD1 3.49Å; V123-F126 WeakPolarHBondContact O-CE1 3.36Å
124	S	78.4	Confident	79.2	Confident	33 Å²	33	36 Å²	36	23%	0.231	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-5.9	-178.9	-54.8	0	0	0	0	114.7	H99 S122	H99-S124 PolarHBondContact CD2-OG 2.71Å; S122-S124 PolarHBondContact O-N 2.72Å; S122-S124 PolarHBondContact OG-N 3.18Å
125	D	82.8	Confident	80.9	Confident	50 Å²	50	40.3 Å²	40.3	27%	0.267	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.4	-0.9	-169.7	-175.4	17.3	0	0	0	113.3	S122 L127 K128 S290	S122-D125 PolarHBondContact O-N 3.36Å; D125-L127 VanDerWaalsContact C-N 3.28Å; D125-L127 PolarHBondContact O-N 3.03Å; D125-K128 WeakPolarHBondContact OD1-CD 3.4Å; D125-K128 WeakPolarHBondContact OD1-CE 3.35Å; D125-K128 IonicContact OD1-NZ 3.18Å; D125-K128 PolarHBondContact OD1-NZ 3.48Å; D125-K128 IonicContact OD2-NZ 3.2Å; D125-K128 PolarHBondContact OD2-NZ 2.96Å; D125-S290 WeakPolarHBondContact OD1-CA 3.21Å; D125-S290 WeakPolarHBondContact OD1-CB 3.47Å; D125-S290 PolarHBondContact OD1-OG 3.07Å; D125-S290 PolarHBondContact OD2-OG 3.3Å
126	F	89.7	Confident	82.4	Confident	22 Å²	22	36 Å²	36	10%	0.096	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-23.7	-172.4	75.4	-80.5	0	0	0	114.2	F78 S122 V123 K128 D129 A130 F141 V143 V187 Q188	F78-F126 HydrophobicContact CE1-CB 4.08Å; F78-F126 HydrophobicContact CE1-CG 4.45Å; F78-F126 HydrophobicContact CE2-CB 4.18Å; F78-F126 HydrophobicContact CE2-CD2 4.29Å; F78-F126 HydrophobicContact CE2-CG 4.22Å; F78-F126 HydrophobicContact CZ-CB 3.42Å; F78-F126 VanDerWaalsContact CZ-CB 3.42Å; F78-F126 AromaticContact CZ-CD1 3.89Å; F78-F126 HydrophobicContact CZ-CD1 3.89Å; F78-F126 HydrophobicContact CZ-CD2 4.01Å; F78-F126 AromaticContact CZ-CG 3.5Å; F78-F126 HydrophobicContact CZ-CG 3.5Å; S122-F126 PolarHBondContact O-N 3.21Å; V123-F126 WeakPolarHBondContact O-CD1 3.49Å; V123-F126 WeakPolarHBondContact O-CE1 3.36Å; F126-K128 VanDerWaalsContact C-N 3.29Å; F126-K128 PolarHBondContact O-N 3.4Å; F126-D129 PolarHBondContact O-N 2.88Å; F126-A130 HydrophobicContact CD2-CB 3.95Å; F126-A130 HydrophobicContact CE2-CB 4.3Å; F126-A130 WeakPolarHBondContact O-CB 2.79Å; F126-A130 PolarHBondContact O-N 3.19Å; F126-A130 VanDerWaalsContact O-N 3.13Å; F126-F141 AromaticContact CE2-CE2 3.97Å; F126-F141 HydrophobicContact CE2-CE2 3.97Å; F126-F141 HydrophobicContact CE2-CZ 4.01Å; F126-V143 HydrophobicContact CD2-CG1 3.66Å; F126-V143 HydrophobicContact CE2-CG1 3.86Å; F126-V187 HydrophobicContact CD2-CG1 4.37Å; F126-V187 HydrophobicContact CE1-CG1 4.17Å; F126-V187 HydrophobicContact CE2-CG1 3.68Å; F126-V187 HydrophobicContact CZ-CG1 3.58Å; F126-Q188 WeakPolarHBondContact CZ-O 3.3Å
127	L	90.4	Very high	84	Confident	6 Å²	6	29.4 Å²	29.4	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-64.2	-28.1	-169.7	-71.1	-179.7	0	0	0	114.5	D125 D129 A130 Y131 F141 P190 T325	D125-L127 VanDerWaalsContact C-N 3.28Å; D125-L127 PolarHBondContact O-N 3.03Å; L127-D129 PolarHBondContact O-N 3.07Å; L127-A130 HydrophobicContact CD2-CB 4.34Å; L127-A130 PolarHBondContact O-N 2.85Å; L127-Y131 HydrophobicContact CD2-CE2 4.32Å; L127-Y131 WeakPolarHBondContact O-CD2 3.18Å; L127-F141 HydrophobicContact CD2-CE2 4.22Å; L127-P190 HydrophobicContact CD1-CG 4.17Å; L127-P190 HydrophobicContact CD2-CG 3.32Å; L127-P190 HydrophobicContact CG-CG 4.42Å; L127-T325 HydrophobicContact CD1-CG2 4.09Å
128	K	87.7	Confident	85.5	Confident	40 Å²	40	31.9 Å²	31.9	17%	0.174	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-30	178.6	71	-175.7	171.6	-156.8	0	113.6	D125 F126 D289 S290	D125-K128 WeakPolarHBondContact OD1-CD 3.4Å; D125-K128 WeakPolarHBondContact OD1-CE 3.35Å; D125-K128 IonicContact OD1-NZ 3.18Å; D125-K128 PolarHBondContact OD1-NZ 3.48Å; D125-K128 IonicContact OD2-NZ 3.2Å; D125-K128 PolarHBondContact OD2-NZ 2.96Å; F126-K128 VanDerWaalsContact C-N 3.29Å; F126-K128 PolarHBondContact O-N 3.4Å; K128-D289 WeakPolarHBondContact CD-OD1 3.36Å; K128-D289 IonicContact NZ-OD1 3.44Å; K128-S290 PolarHBondContact NZ-OG 2.91Å
129	D	90.3	Very high	87.2	Confident	30 Å²	30	28 Å²	28	16%	0.16	15%	0.149	C	C	.	.	H	α-helix	trans	-112.3	0.8	-178.1	-64.9	-40.9	0	0	0	111.7	R72 F126 L127 Y131 Q229	R72-D129 IonicContact NE-OD1 2.91Å; F126-D129 PolarHBondContact O-N 2.88Å; L127-D129 PolarHBondContact O-N 3.07Å; D129-Y131 VanDerWaalsContact C-N 3.33Å; D129-Q229 PolarHBondContact OD1-NE2 3.21Å
130	A	94.2	Very high	88.6	Confident	2 Å²	2	28.5 Å²	28.5	2%	0.017	15%	0.15	C	C	.	.	H	α-helix	trans	-81	-13.2	-179.7	0	0	0	0	0	112.9	F126 L127 F141 K142 V143	F126-A130 HydrophobicContact CD2-CB 3.95Å; F126-A130 HydrophobicContact CE2-CB 4.3Å; F126-A130 WeakPolarHBondContact O-CB 2.79Å; F126-A130 PolarHBondContact O-N 3.19Å; F126-A130 VanDerWaalsContact O-N 3.13Å; L127-A130 HydrophobicContact CD2-CB 4.34Å; L127-A130 PolarHBondContact O-N 2.85Å; A130-F141 HydrophobicContact CB-CD2 3.87Å; A130-F141 HydrophobicContact CB-CE2 3.64Å; A130-F141 CarbonylContact O-C 3.56Å; A130-F141 VanDerWaalsContact O-CA 3.27Å; A130-F141 WeakPolarHBondContact O-CA 3.37Å; A130-K142 WeakPolarHBondContact CA-O 3.43Å; A130-K142 PolarHBondContact O-N 2.93Å; A130-V143 HydrophobicContact CB-CG1 4.1Å
131	Y	94.7	Very high	89.5	Confident	5 Å²	5	27 Å²	27	2%	0.02	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123	176.6	-61.2	-75.5	0	0	0	110.5	L127 D129 V139 H140 F141 P190 S192 I193 V214 D327 P328 L329	L127-Y131 HydrophobicContact CD2-CE2 4.32Å; L127-Y131 WeakPolarHBondContact O-CD2 3.18Å; D129-Y131 VanDerWaalsContact C-N 3.33Å; Y131-V139 HydrophobicContact CD1-CG1 4.19Å; Y131-H140 WeakPolarHBondContact CA-O 2.98Å; Y131-F141 HydrophobicContact CD1-CB 4.28Å; Y131-F141 HydrophobicContact CD1-CD2 4.4Å; Y131-F141 HydrophobicContact CE1-CB 4.05Å; Y131-F141 AromaticContact CE1-CD2 3.89Å; Y131-F141 HydrophobicContact CE1-CD2 3.89Å; Y131-F141 HydrophobicContact CE1-CG 4.48Å; Y131-P190 WeakPolarHBondContact OH-CB 3.44Å; Y131-P190 WeakPolarHBondContact OH-CG 3.27Å; Y131-S192 PolarHBondContact OH-OG 3.23Å; Y131-I193 HydrophobicContact CE1-CG1 4.48Å; Y131-V214 HydrophobicContact CD1-CG1 3.83Å; Y131-V214 HydrophobicContact CE1-CG1 3.63Å; Y131-D327 WeakPolarHBondContact CE2-OD1 3.37Å; Y131-D327 VanDerWaalsContact CZ-OD1 3.23Å; Y131-D327 VanDerWaalsContact OH-CG 3.31Å; Y131-D327 PolarHBondContact OH-OD1 3.32Å; Y131-P328 HydrophobicContact CD2-CB 4.3Å; Y131-P328 HydrophobicContact CD2-CG 3.91Å; Y131-P328 HydrophobicContact CE2-CB 4.45Å; Y131-P328 HydrophobicContact CE2-CG 3.96Å; Y131-L329 HydrophobicContact CD1-CD1 3.69Å; Y131-L329 HydrophobicContact CD1-CG 4.09Å; Y131-L329 HydrophobicContact CE1-CD1 3.39Å; Y131-L329 HydrophobicContact CE1-CG 3.87Å; Y131-L329 HydrophobicContact CE2-CG 4.4Å; Y131-L329 HydrophobicContact CG-CD1 4.48Å; Y131-L329 HydrophobicContact CG-CG 4.42Å
132	E	94.1	Very high	90.3	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.047	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	166.5	179.3	63.5	170.8	-140	0	0	111.5	R25 G134 V139 H140 K142 R144	R25-E132 IonicContact CZ-OE2 3.66Å; R25-E132 VanDerWaalsContact NH1-CD 3.26Å; R25-E132 IonicContact NH1-OE1 2.8Å; R25-E132 PolarHBondContact NH1-OE1 2.88Å; R25-E132 VanDerWaalsContact NH1-OE1 3.13Å; R25-E132 IonicContact NH1-OE2 2.75Å; R25-E132 PolarHBondContact NH1-OE2 2.82Å; R25-E132 IonicContact NH2-OE2 3.51Å; E132-G134 PolarHBondContact O-N 2.72Å; E132-V139 CarbonylContact O-C 3.6Å; E132-V139 WeakPolarHBondContact O-CA 3.47Å; E132-H140 PolarHBondContact N-O 3.29Å; E132-H140 PolarHBondContact O-N 3.29Å; E132-K142 VanDerWaalsContact CD-CD 3.44Å; E132-K142 HydrophobicContact CG-CB 4.3Å; E132-K142 HydrophobicContact CG-CD 3.54Å; E132-K142 HydrophobicContact CG-CG 4.41Å; E132-K142 WeakPolarHBondContact OE1-CD 3.45Å; E132-K142 WeakPolarHBondContact OE1-CE 3.39Å; E132-K142 IonicContact OE1-NZ 3.45Å; E132-K142 PolarHBondContact OE1-NZ 2.9Å; E132-R144 IonicContact OE1-NH2 3.96Å; E132-R144 PolarHBondContact OE1-NH2 3.17Å; E132-R144 IonicContact OE2-CZ 3.14Å; E132-R144 IonicContact OE2-NH1 2.6Å; E132-R144 IonicContact OE2-NH2 2.67Å; E132-R144 PolarHBondContact OE2-NH2 3.46Å
133	V	93.6	Very high	90.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.1	175.7	-172.2	0	0	0	0	110	L32 W51 V55 W58 K138 K142 L224	L32-V133 HydrophobicContact CD1-CG1 4.01Å; W51-V133 HydrophobicContact CH2-CG2 4.15Å; W51-V133 HydrophobicContact CZ2-CG2 3.97Å; V55-V133 HydrophobicContact CG1-CG1 4.3Å; V55-V133 HydrophobicContact CG2-CG1 4.39Å; V55-V133 HydrophobicContact CG2-CG2 4.35Å; W58-V133 HydrophobicContact CD2-CG2 4.32Å; W58-V133 HydrophobicContact CE3-CB 4.21Å; W58-V133 HydrophobicContact CE3-CG2 4.09Å; W58-V133 HydrophobicContact CH2-CB 3.87Å; W58-V133 HydrophobicContact CH2-CG2 4.42Å; W58-V133 HydrophobicContact CZ2-CB 4.38Å; W58-V133 HydrophobicContact CZ3-CB 3.78Å; W58-V133 HydrophobicContact CZ3-CG1 4.24Å; W58-V133 HydrophobicContact CZ3-CG2 4.18Å; V133-K138 CarbonylContact C-O 3.51Å; V133-K138 WeakPolarHBondContact CA-O 2.87Å; V133-K142 PolarHBondContact O-NZ 3.07Å; V133-L224 HydrophobicContact CG2-CD1 4.01Å
134	G	92.9	Very high	91.6	Very high	2 Å²	2	26 Å²	26	2%	0.021	13%	0.13	C	C	.	.			trans	-84.9	175.8	174.3	0	0	0	0	0	112.8	L32 E132 D136 G137 K138	L32-G134 WeakPolarHBondContact CD2-O 3.33Å; E132-G134 PolarHBondContact O-N 2.72Å; G134-D136 PolarHBondContact O-N 2.81Å; G134-G137 PolarHBondContact O-N 3.42Å; G134-K138 PolarHBondContact N-O 3.1Å
135	E	90.9	Very high	92.5	Very high	122 Å²	122	24.4 Å²	24.4	57%	0.57	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.5	179	-65	178.2	171.8	0	0	112.8	L28 G137	L28-E135 HydrophobicContact CD1-CB 4.33Å; L28-E135 HydrophobicContact CD1-CG 3.65Å; E135-G137 VanDerWaalsContact C-N 3.27Å; E135-G137 PolarHBondContact O-N 2.72Å
136	D	88.4	Confident	93.1	Very high	79 Å²	79	25.1 Å²	25.1	42%	0.422	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	2.7	175.6	65.6	-5.8	0	0	0	113.6	L43 G134 K138 H140	L43-D136 WeakPolarHBondContact CD2-O 3.48Å; G134-D136 PolarHBondContact O-N 2.81Å; D136-K138 PolarHBondContact O-N 3.35Å; D136-K138 WeakPolarHBondContact OD1-CB 3.26Å; D136-K138 PolarHBondContact OD1-N 2.89Å; D136-H140 VanDerWaalsContact CG-NE2 3.27Å; D136-H140 IonicContact OD1-CD2 3.87Å; D136-H140 PolarHBondContact OD1-CD2 3.34Å; D136-H140 IonicContact OD1-NE2 3.19Å; D136-H140 PolarHBondContact OD1-NE2 3.19Å; D136-H140 IonicContact OD2-CE1 3.73Å; D136-H140 IonicContact OD2-NE2 2.85Å; D136-H140 PolarHBondContact OD2-NE2 2.96Å
137	G	89.1	Confident	93.4	Very high	4 Å²	4	24 Å²	24	4%	0.041	12%	0.118	C	C	.	.	S	Bend	trans	74.3	7.3	-178.1	0	0	0	0	0	114.6	W51 G134 E135	W51-G137 PolarHBondContact NE1-O 3.19Å; G134-G137 PolarHBondContact O-N 3.42Å; E135-G137 VanDerWaalsContact C-N 3.27Å; E135-G137 PolarHBondContact O-N 2.72Å
138	K	90.3	Very high	93.6	Very high	85 Å²	85	30.6 Å²	30.6	37%	0.37	15%	0.148	S	C	.	.	S	Bend	trans	-100	163.6	176.2	-64.2	-179.7	-178.2	176.3	0	110.4	L43 Y47 V133 G134 D136 H140	L43-K138 HydrophobicContact CD2-CG 4.05Å; Y47-K138 HydrophobicContact CE2-CB 4.4Å; Y47-K138 HydrophobicContact CE2-CG 4.16Å; Y47-K138 WeakPolarHBondContact OH-CB 3.27Å; V133-K138 CarbonylContact C-O 3.51Å; V133-K138 WeakPolarHBondContact CA-O 2.87Å; G134-K138 PolarHBondContact N-O 3.1Å; D136-K138 PolarHBondContact O-N 3.35Å; D136-K138 WeakPolarHBondContact OD1-CB 3.26Å; D136-K138 PolarHBondContact OD1-N 2.89Å; K138-H140 PolarHBondContact O-CD2 3.4Å
139	V	93.4	Very high	93.8	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	137.7	170.1	173.4	0	0	0	0	109.2	Y47 W51 Y131 E132 V214 L222 V230	Y47-V139 HydrophobicContact CE1-CB 4.2Å; Y47-V139 HydrophobicContact CE1-CG2 3.75Å; Y47-V139 PolarHBondContact OH-N 3.45Å; W51-V139 HydrophobicContact CH2-CG2 3.75Å; W51-V139 HydrophobicContact CZ2-CG2 4.05Å; Y131-V139 HydrophobicContact CD1-CG1 4.19Å; E132-V139 CarbonylContact O-C 3.6Å; E132-V139 WeakPolarHBondContact O-CA 3.47Å; V139-V214 HydrophobicContact CB-CG2 4.12Å; V139-V214 HydrophobicContact CG1-CG2 3.95Å; V139-V214 VanDerWaalsContact O-CG2 3.24Å; V139-V214 WeakPolarHBondContact O-CG2 3.38Å; V139-L222 HydrophobicContact CG2-CD1 4.39Å; V139-V230 HydrophobicContact CG1-CG2 3.91Å; V139-V230 HydrophobicContact CG2-CG1 4.44Å; V139-V230 HydrophobicContact CG2-CG2 3.76Å
140	H	94.9	Very high	94	Very high	24 Å²	24	31.1 Å²	31.1	11%	0.111	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.7	172.2	-78.9	-115.6	0	0	0	109.1	Y131 E132 D136 K138	Y131-H140 WeakPolarHBondContact CA-O 2.98Å; E132-H140 PolarHBondContact N-O 3.29Å; E132-H140 PolarHBondContact O-N 3.29Å; D136-H140 VanDerWaalsContact CG-NE2 3.27Å; D136-H140 IonicContact OD1-CD2 3.87Å; D136-H140 PolarHBondContact OD1-CD2 3.34Å; D136-H140 IonicContact OD1-NE2 3.19Å; D136-H140 PolarHBondContact OD1-NE2 3.19Å; D136-H140 IonicContact OD2-CE1 3.73Å; D136-H140 IonicContact OD2-NE2 2.85Å; D136-H140 PolarHBondContact OD2-NE2 2.96Å; K138-H140 PolarHBondContact O-CD2 3.4Å
141	F	96.7	Very high	93.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.4	166.8	174.8	-98.1	0	0	0	109.5	F126 L127 A130 Y131 V143 L189 P190 I193 E211 A212 V214	F126-F141 AromaticContact CE2-CE2 3.97Å; F126-F141 HydrophobicContact CE2-CE2 3.97Å; F126-F141 HydrophobicContact CE2-CZ 4.01Å; L127-F141 HydrophobicContact CD2-CE2 4.22Å; A130-F141 HydrophobicContact CB-CD2 3.87Å; A130-F141 HydrophobicContact CB-CE2 3.64Å; A130-F141 CarbonylContact O-C 3.56Å; A130-F141 VanDerWaalsContact O-CA 3.27Å; A130-F141 WeakPolarHBondContact O-CA 3.37Å; Y131-F141 HydrophobicContact CD1-CB 4.28Å; Y131-F141 HydrophobicContact CD1-CD2 4.4Å; Y131-F141 HydrophobicContact CE1-CB 4.05Å; Y131-F141 AromaticContact CE1-CD2 3.89Å; Y131-F141 HydrophobicContact CE1-CD2 3.89Å; Y131-F141 HydrophobicContact CE1-CG 4.48Å; F141-V143 HydrophobicContact CE1-CG1 3.86Å; F141-V143 HydrophobicContact CE1-CG2 3.98Å; F141-V143 HydrophobicContact CE2-CG1 3.92Å; F141-V143 HydrophobicContact CZ-CB 4.43Å; F141-V143 HydrophobicContact CZ-CG1 3.38Å; F141-V143 HydrophobicContact CZ-CG2 4.25Å; F141-L189 HydrophobicContact CE1-CD2 3.82Å; F141-L189 HydrophobicContact CZ-CD2 4.05Å; F141-P190 HydrophobicContact CE2-CG 4.39Å; F141-I193 HydrophobicContact CB-CD1 3.86Å; F141-I193 HydrophobicContact CB-CG1 3.7Å; F141-I193 HydrophobicContact CB-CG2 4.16Å; F141-I193 HydrophobicContact CD1-CD1 3.54Å; F141-I193 HydrophobicContact CD1-CG1 4.25Å; F141-I193 HydrophobicContact CD1-CG2 4.31Å; F141-I193 HydrophobicContact CD2-CD1 3.27Å; F141-I193 HydrophobicContact CD2-CG1 3.95Å; F141-I193 HydrophobicContact CE1-CD1 3.74Å; F141-I193 HydrophobicContact CE2-CD1 3.47Å; F141-I193 VanDerWaalsContact CE2-CD1 3.47Å; F141-I193 HydrophobicContact CG-CD1 3.26Å; F141-I193 HydrophobicContact CG-CG1 3.72Å; F141-I193 HydrophobicContact CG-CG2 4.4Å; F141-I193 HydrophobicContact CZ-CD1 3.69Å; F141-E211 CarbonylContact O-C 3.59Å; F141-E211 WeakPolarHBondContact O-CA 3.35Å; F141-A212 PolarHBondContact N-O 3.17Å; F141-A212 PolarHBondContact O-N 3.34Å; F141-V214 HydrophobicContact CB-CG1 4.05Å
142	K	96.9	Very high	93.9	Very high	10 Å²	10	33.5 Å²	33.5	4%	0.043	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	116.8	-178.8	-77.1	171.6	-178.9	168.1	0	111	A130 E132 V133 L210 E211	A130-K142 WeakPolarHBondContact CA-O 3.43Å; A130-K142 PolarHBondContact O-N 2.93Å; E132-K142 VanDerWaalsContact CD-CD 3.44Å; E132-K142 HydrophobicContact CG-CB 4.3Å; E132-K142 HydrophobicContact CG-CD 3.54Å; E132-K142 HydrophobicContact CG-CG 4.41Å; E132-K142 WeakPolarHBondContact OE1-CD 3.45Å; E132-K142 WeakPolarHBondContact OE1-CE 3.39Å; E132-K142 IonicContact OE1-NZ 3.45Å; E132-K142 PolarHBondContact OE1-NZ 2.9Å; V133-K142 PolarHBondContact O-NZ 3.07Å; K142-L210 WeakPolarHBondContact CA-O 3.47Å; K142-E211 WeakPolarHBondContact CE-OE2 3.16Å; K142-E211 HydrophobicContact CG-CB 3.6Å
143	V	96.9	Very high	93.8	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	151.2	170.8	-66.6	0	0	0	0	110.5	F78 F126 A130 F141 F145 M209 L210	F78-V143 HydrophobicContact CE2-CB 4.2Å; F78-V143 HydrophobicContact CE2-CG1 4.31Å; F126-V143 HydrophobicContact CD2-CG1 3.66Å; F126-V143 HydrophobicContact CE2-CG1 3.86Å; A130-V143 HydrophobicContact CB-CG1 4.1Å; F141-V143 HydrophobicContact CE1-CG1 3.86Å; F141-V143 HydrophobicContact CE1-CG2 3.98Å; F141-V143 HydrophobicContact CE2-CG1 3.92Å; F141-V143 HydrophobicContact CZ-CB 4.43Å; F141-V143 HydrophobicContact CZ-CG1 3.38Å; F141-V143 HydrophobicContact CZ-CG2 4.25Å; V143-F145 HydrophobicContact CG2-CE2 3.94Å; V143-F145 HydrophobicContact CG2-CZ 4.24Å; V143-M209 WeakPolarHBondContact O-CA 3.33Å; V143-L210 HydrophobicContact CG2-CB 3.87Å; V143-L210 HydrophobicContact CG2-CD2 4.17Å; V143-L210 PolarHBondContact N-O 2.92Å; V143-L210 PolarHBondContact O-N 3.37Å
144	R	97.6	Very high	93.9	Very high	15 Å²	15	43.5 Å²	43.5	6%	0.057	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.3	-170.5	-55.6	177	176.1	82.4	-4.1	109.2	M77 F78 E132 V207 L208 M209	M77-R144 CarbonylContact C-O 3.53Å; M77-R144 WeakPolarHBondContact CA-O 3.31Å; M77-R144 HydrophobicContact CG-CB 3.82Å; F78-R144 PolarHBondContact N-O 2.92Å; E132-R144 IonicContact OE1-NH2 3.96Å; E132-R144 PolarHBondContact OE1-NH2 3.17Å; E132-R144 IonicContact OE2-CZ 3.14Å; E132-R144 IonicContact OE2-NH1 2.6Å; E132-R144 IonicContact OE2-NH2 2.67Å; E132-R144 PolarHBondContact OE2-NH2 3.46Å; R144-V207 HydrophobicContact CB-CG1 4.19Å; R144-L208 CarbonylContact C-O 3.17Å; R144-L208 WeakPolarHBondContact CA-O 3.37Å; R144-M209 HydrophobicContact CG-CG 4.1Å
145	F	97.2	Very high	94.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136	176	-51.4	-103.1	0	0	0	108.4	F78 L80 V143 A147 V166 R185 V187 L208 L210	F78-F145 HydrophobicContact CB-CD1 3.59Å; F78-F145 HydrophobicContact CB-CE1 4.02Å; F78-F145 HydrophobicContact CB-CG 4.31Å; F78-F145 HydrophobicContact CD2-CD1 4.09Å; F78-F145 AromaticContact CD2-CE1 3.81Å; F78-F145 HydrophobicContact CD2-CE1 3.81Å; F78-F145 HydrophobicContact CD2-CZ 4.16Å; F78-F145 HydrophobicContact CG-CD1 4.26Å; F78-F145 HydrophobicContact CG-CE1 4.23Å; F78-F145 CarbonylContact O-C 3.58Å; F78-F145 WeakPolarHBondContact O-CA 3.43Å; L80-F145 HydrophobicContact CD2-CB 4.5Å; L80-F145 HydrophobicContact CD2-CD1 4.19Å; V143-F145 HydrophobicContact CG2-CE2 3.94Å; V143-F145 HydrophobicContact CG2-CZ 4.24Å; F145-A147 PolarHBondContact O-N 3.37Å; F145-V166 HydrophobicContact CD1-CB 4.42Å; F145-V166 HydrophobicContact CD1-CG2 4.04Å; F145-V166 HydrophobicContact CD2-CG2 4.11Å; F145-V166 HydrophobicContact CE1-CB 4.32Å; F145-V166 HydrophobicContact CE1-CG2 3.69Å; F145-V166 HydrophobicContact CE2-CG2 3.77Å; F145-V166 HydrophobicContact CG-CG2 4.26Å; F145-V166 HydrophobicContact CZ-CG2 3.55Å; F145-R185 HydrophobicContact CD1-CB 4.12Å; F145-R185 HydrophobicContact CD1-CG 4.09Å; F145-R185 HydrophobicContact CE1-CB 4.05Å; F145-R185 HydrophobicContact CE1-CG 3.86Å; F145-V187 HydrophobicContact CE1-CG2 3.81Å; F145-V187 HydrophobicContact CZ-CG2 3.72Å; F145-L208 HydrophobicContact CB-CB 4.22Å; F145-L208 HydrophobicContact CB-CD2 4.46Å; F145-L208 HydrophobicContact CD2-CD2 4.18Å; F145-L208 HydrophobicContact CG-CD2 4.49Å; F145-L208 PolarHBondContact N-O 3.11Å; F145-L208 PolarHBondContact O-N 3.03Å; F145-L210 HydrophobicContact CE2-CB 4.4Å
146	D	95.9	Very high	94.4	Very high	64 Å²	64	41.9 Å²	41.9	34%	0.342	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	103.3	165.2	-173.3	-7.8	0	0	0	107.9	M77 F78 Q148	M77-D146 HydrophobicContact CB-CB 4.41Å; F78-D146 PolarHBondContact O-N 3.49Å; D146-Q148 VanDerWaalsContact OD1-CB 3.27Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.47Å; D146-Q148 PolarHBondContact OD1-N 2.98Å
147	A	96.1	Very high	94.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.			trans	-114.6	28	177	0	0	0	0	0	110.4	L80 F145 G149 F150 I155 M202 G206 L208	L80-A147 HydrophobicContact CD1-CB 4.46Å; F145-A147 PolarHBondContact O-N 3.37Å; A147-G149 PolarHBondContact O-N 3.02Å; A147-F150 HydrophobicContact CB-CD2 4.43Å; A147-F150 PolarHBondContact O-N 2.76Å; A147-I155 HydrophobicContact CB-CD1 3.86Å; A147-M202 HydrophobicContact CB-CE 3.94Å; A147-M202 WeakPolarHBondContact O-CE 3.49Å; A147-G206 CarbonylContact C-O 3.52Å; A147-G206 VanDerWaalsContact CA-O 3.29Å; A147-G206 WeakPolarHBondContact CA-O 3.49Å; A147-G206 WeakPolarHBondContact CB-O 3.42Å; A147-G206 PolarHBondContact N-O 2.87Å; A147-L208 HydrophobicContact CB-CB 4.01Å
148	Q	93.7	Very high	95.2	Very high	144 Å²	144	39.5 Å²	39.5	67%	0.673	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	131.9	176.8	-168.8	179.8	12.6	0	0	110.8	D146 G206	D146-Q148 VanDerWaalsContact OD1-CB 3.27Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.47Å; D146-Q148 PolarHBondContact OD1-N 2.98Å; Q148-G206 PolarHBondContact N-O 3.46Å
149	G	91.8	Very high	95.3	Very high	52 Å²	52	36 Å²	36	54%	0.536	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	11.5	178.7	0	0	0	0	0	115.4	A147 K170	A147-G149 PolarHBondContact O-N 3.02Å; G149-K170 PolarHBondContact O-NZ 3.23Å
150	F	93.8	Very high	95.1	Very high	28 Å²	28	37 Å²	37	12%	0.123	21%	0.207	C	C	.	.			trans	-109.2	146.9	163.4	-62.2	-86.1	0	0	0	109.7	L80 A147 I155 A168 K170 F183 M202	L80-F150 HydrophobicContact CD1-CD2 4.32Å; L80-F150 HydrophobicContact CD1-CE2 4.06Å; L80-F150 HydrophobicContact CD1-CZ 4.46Å; A147-F150 HydrophobicContact CB-CD2 4.43Å; A147-F150 PolarHBondContact O-N 2.76Å; F150-I155 HydrophobicContact CB-CD1 3.93Å; F150-I155 HydrophobicContact CB-CG1 4Å; F150-A168 HydrophobicContact CD1-CB 3.66Å; F150-A168 HydrophobicContact CE1-CB 3.6Å; F150-A168 HydrophobicContact CG-CB 4.18Å; F150-A168 HydrophobicContact CZ-CB 4.12Å; F150-K170 HydrophobicContact CD1-CB 4.39Å; F150-K170 HydrophobicContact CE1-CB 3.84Å; F150-K170 HydrophobicContact CE1-CD 4.37Å; F150-F183 AromaticContact CE1-CD2 3.82Å; F150-F183 HydrophobicContact CE1-CD2 3.82Å; F150-F183 HydrophobicContact CE1-CE2 4.23Å; F150-F183 HydrophobicContact CZ-CB 4.29Å; F150-F183 AromaticContact CZ-CD2 3.52Å; F150-F183 HydrophobicContact CZ-CD2 3.52Å; F150-F183 AromaticContact CZ-CE2 3.9Å; F150-F183 HydrophobicContact CZ-CE2 3.9Å; F150-F183 AromaticContact CZ-CG 3.87Å; F150-F183 HydrophobicContact CZ-CG 3.87Å; F150-M202 WeakPolarHBondContact O-CE 3.39Å
151	A	92.6	Very high	94.5	Very high	28 Å²	28	40.2 Å²	40.2	23%	0.231	22%	0.222	C	C	.	.			trans	-89.7	155.1	167.3	0	0	0	0	0	110.1	Q153 D154	A151-Q153 VanDerWaalsContact CB-CD 3.43Å; A151-Q153 VanDerWaalsContact CB-OE1 3.32Å; A151-Q153 PolarHBondContact O-N 3.15Å; A151-Q153 VanDerWaalsContact O-N 3.14Å; A151-D154 WeakPolarHBondContact CB-OD2 3.45Å; A151-D154 PolarHBondContact N-OD2 2.99Å; A151-D154 WeakPolarHBondContact O-CB 3.43Å; A151-D154 PolarHBondContact O-N 3.24Å
152	P	94.3	Very high	94.1	Very high	29 Å²	29	42.2 Å²	42.2	19%	0.188	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-53	-36.8	-179.9	-29.5	35.8	0	0	0	114.5	V14 R16 D154 I155 M202	V14-P152 HydrophobicContact CG1-CB 4Å; R16-P152 HydrophobicContact CB-CG 4.26Å; R16-P152 HydrophobicContact CG-CG 4.5Å; P152-D154 PolarHBondContact O-N 3.33Å; P152-I155 PolarHBondContact O-N 3.4Å; P152-M202 HydrophobicContact CB-SD 4.48Å; P152-M202 HydrophobicContact CG-SD 3.93Å
153	Q	93.9	Very high	93.8	Very high	152 Å²	152	45 Å²	45	71%	0.71	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-71	-15.9	178.5	69.8	-83.9	8.7	0	0	114.4	A151 I155	A151-Q153 VanDerWaalsContact CB-CD 3.43Å; A151-Q153 VanDerWaalsContact CB-OE1 3.32Å; A151-Q153 PolarHBondContact O-N 3.15Å; A151-Q153 VanDerWaalsContact O-N 3.14Å; Q153-I155 VanDerWaalsContact C-N 3.3Å
154	D	94.5	Very high	93.7	Very high	69 Å²	69	44.7 Å²	44.7	37%	0.369	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-88.2	-4.2	178.4	-58.7	-31.3	0	0	0	111.9	A151 P152 A168 K169	A151-D154 WeakPolarHBondContact CB-OD2 3.45Å; A151-D154 PolarHBondContact N-OD2 2.99Å; A151-D154 WeakPolarHBondContact O-CB 3.43Å; A151-D154 PolarHBondContact O-N 3.24Å; P152-D154 PolarHBondContact O-N 3.33Å; D154-A168 CarbonylContact O-C 3.52Å; D154-A168 VanDerWaalsContact O-CA 3.27Å; D154-A168 WeakPolarHBondContact O-CA 3.35Å; D154-K169 WeakPolarHBondContact CB-O 3.34Å; D154-K169 PolarHBondContact O-N 2.91Å
155	I	97.1	Very high	93.5	Very high	12 Å²	12	45 Å²	45	6%	0.062	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.7	-176.2	-55.9	175	0	0	0	109.5	V14 A147 F150 P152 Q153 V157 V166 H167 A168 M202 L208	V14-I155 HydrophobicContact CG2-CB 4.43Å; V14-I155 HydrophobicContact CG2-CG2 4.23Å; A147-I155 HydrophobicContact CB-CD1 3.86Å; F150-I155 HydrophobicContact CB-CD1 3.93Å; F150-I155 HydrophobicContact CB-CG1 4Å; P152-I155 PolarHBondContact O-N 3.4Å; Q153-I155 VanDerWaalsContact C-N 3.3Å; I155-V157 HydrophobicContact CG2-CG2 4.05Å; I155-V166 HydrophobicContact CG2-CG1 3.85Å; I155-H167 CarbonylContact C-O 3.57Å; I155-H167 WeakPolarHBondContact CA-O 3.5Å; I155-A168 HydrophobicContact CG1-CB 4.06Å; I155-M202 HydrophobicContact CD1-CE 4.07Å; I155-M202 HydrophobicContact CD1-SD 3.74Å; I155-L208 HydrophobicContact CD1-CD1 4.45Å; I155-L208 HydrophobicContact CG2-CD2 4.05Å
156	N	96.8	Very high	93.5	Very high	78 Å²	78	45 Å²	45	42%	0.417	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.6	170.4	-173.4	6.3	0	0	0	109.8	H167	N156-H167 PolarHBondContact N-O 2.81Å; N156-H167 PolarHBondContact O-N 3.13Å
157	V	97.5	Very high	93.5	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.8	175.5	-176	0	0	0	0	108.6	I12 V14 I155 V164 T165 V166 L208 L210	I12-V157 HydrophobicContact CB-CB 4.3Å; I12-V157 HydrophobicContact CB-CG1 4.13Å; I12-V157 HydrophobicContact CD1-CG1 4.22Å; I12-V157 PolarHBondContact N-O 3.5Å; V14-V157 HydrophobicContact CG2-CG2 3.73Å; I155-V157 HydrophobicContact CG2-CG2 4.05Å; V157-V164 HydrophobicContact CG1-CG1 3.74Å; V157-T165 WeakPolarHBondContact CA-O 3.39Å; V157-V166 HydrophobicContact CG1-CG2 4.49Å; V157-V166 HydrophobicContact CG2-CG1 4.46Å; V157-V166 HydrophobicContact CG2-CG2 4.3Å; V157-L208 HydrophobicContact CG2-CD2 4.14Å; V157-L210 HydrophobicContact CG1-CD1 4.18Å
158	T	96.3	Very high	93.5	Very high	32 Å²	32	44.5 Å²	44.5	20%	0.196	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141	177.1	58.3	0	0	0	0	111.1	V10 V164 T165	V10-T158 CarbonylContact O-C 3.53Å; V10-T158 VanDerWaalsContact O-CA 3.28Å; V10-T158 WeakPolarHBondContact O-CA 3.07Å; T158-V164 CarbonylContact O-C 3.53Å; T158-V164 VanDerWaalsContact O-CA 3.3Å; T158-V164 WeakPolarHBondContact O-CA 3.44Å; T158-T165 PolarHBondContact N-O 3.03Å; T158-T165 PolarHBondContact O-N 2.73Å
159	S	93.6	Very high	93.5	Very high	11 Å²	11	41.4 Å²	41.4	8%	0.077	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.8	171.7	-178.8	0	0	0	0	109.6	A9 V10 R163	A9-S159 CarbonylContact C-O 3.58Å; A9-S159 WeakPolarHBondContact CA-O 3.48Å; V10-S159 PolarHBondContact N-O 2.75Å; V10-S159 PolarHBondContact O-N 3.46Å; S159-R163 WeakPolarHBondContact CA-O 3.34Å
160	S	89.3	Confident	93.4	Very high	24 Å²	24	42.7 Å²	42.7	17%	0.168	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	130.5	174	61	0	0	0	0	110.7	N162 R163	S160-N162 PolarHBondContact O-N 3.47Å; S160-R163 PolarHBondContact N-O 2.99Å; S160-R163 WeakPolarHBondContact O-CG 3.26Å; S160-R163 PolarHBondContact O-N 3.41Å
161	E	82.8	Confident	93.2	Very high	91 Å²	91	47.1 Å²	47.1	43%	0.425	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-76.6	179.5	-57.4	171	146.7	0	0	114.6	H7 R163	H7-E161 HydrophobicContact CB-CG 4.26Å; H7-E161 IonicContact CD2-OE1 3.52Å; H7-E161 IonicContact CE1-OE1 3.57Å; H7-E161 PolarHBondContact CE1-OE1 2.89Å; H7-E161 IonicContact CG-OE1 3Å; H7-E161 VanDerWaalsContact ND1-CG 3.29Å; H7-E161 WeakPolarHBondContact ND1-CG 3.33Å; H7-E161 IonicContact ND1-OE1 2.77Å; H7-E161 PolarHBondContact ND1-OE1 2.76Å; H7-E161 IonicContact NE2-OE1 3.51Å; E161-R163 IonicContact OE2-CZ 3.01Å; E161-R163 IonicContact OE2-NH2 3.21Å; E161-R163 PolarHBondContact OE2-NH2 2.99Å
162	N	86.8	Confident	92.8	Very high	41 Å²	41	48.9 Å²	48.9	22%	0.219	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-153	22.7	-172.2	60.2	5.9	0	0	0	110.1	S160 Q188 L189	S160-N162 PolarHBondContact O-N 3.47Å; N162-Q188 PolarHBondContact ND2-NE2 2.82Å; N162-Q188 PolarHBondContact O-NE2 2.68Å; N162-Q188 PolarHBondContact OD1-NE2 3.24Å; N162-L189 WeakPolarHBondContact O-CB 3.33Å; N162-L189 PolarHBondContact O-N 3Å
163	R	91.4	Very high	92.5	Very high	68 Å²	68	52.1 Å²	52.1	26%	0.257	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.1	-179.4	86.4	-171.3	84.5	-143.2	4	110.7	F95 S159 S160 E161 V187	F95-R163 HydrophobicContact CZ-CB 4.33Å; S159-R163 WeakPolarHBondContact CA-O 3.34Å; S160-R163 PolarHBondContact N-O 2.99Å; S160-R163 WeakPolarHBondContact O-CG 3.26Å; S160-R163 PolarHBondContact O-N 3.41Å; E161-R163 IonicContact OE2-CZ 3.01Å; E161-R163 IonicContact OE2-NH2 3.21Å; E161-R163 PolarHBondContact OE2-NH2 2.99Å; R163-V187 CarbonylContact C-O 3.53Å; R163-V187 VanDerWaalsContact CA-O 3.29Å; R163-V187 WeakPolarHBondContact CA-O 3.45Å
164	V	94.5	Very high	92	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.6	165.3	168.7	0	0	0	0	109.5	V157 T158 V166 M186 V187 L189 L198 L210	V157-V164 HydrophobicContact CG1-CG1 3.74Å; T158-V164 CarbonylContact O-C 3.53Å; T158-V164 VanDerWaalsContact O-CA 3.3Å; T158-V164 WeakPolarHBondContact O-CA 3.44Å; V164-V166 HydrophobicContact CG1-CG2 4.39Å; V164-M186 CarbonylContact O-C 3.59Å; V164-M186 VanDerWaalsContact O-CA 3.28Å; V164-M186 WeakPolarHBondContact O-CA 3.45Å; V164-V187 PolarHBondContact N-O 2.73Å; V164-V187 PolarHBondContact O-N 2.61Å; V164-L189 HydrophobicContact CG2-CD1 3.71Å; V164-L189 HydrophobicContact CG2-CD2 4.03Å; V164-L189 HydrophobicContact CG2-CG 4.06Å; V164-L198 HydrophobicContact CG2-CD1 3.89Å; V164-L210 HydrophobicContact CB-CD2 3.93Å; V164-L210 HydrophobicContact CG1-CD2 3.68Å; V164-L210 HydrophobicContact CG2-CD2 3.66Å
165	T	94.3	Very high	91.6	Very high	21 Å²	21	54.6 Å²	54.6	13%	0.129	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.9	174.1	-53.8	0	0	0	0	108.8	V157 T158 M186	V157-T165 WeakPolarHBondContact CA-O 3.39Å; T158-T165 PolarHBondContact N-O 3.03Å; T158-T165 PolarHBondContact O-N 2.73Å; T165-M186 HydrophobicContact CG2-CE 4.01Å; T165-M186 HydrophobicContact CG2-CG 3.96Å
166	V	96.6	Very high	91	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.5	169.6	-177.4	0	0	0	0	107.1	L80 F145 I155 V157 V164 C184 R185 L208	L80-V166 HydrophobicContact CD1-CG1 4.37Å; L80-V166 HydrophobicContact CD2-CB 4.03Å; L80-V166 HydrophobicContact CD2-CG1 3.66Å; F145-V166 HydrophobicContact CD1-CB 4.42Å; F145-V166 HydrophobicContact CD1-CG2 4.04Å; F145-V166 HydrophobicContact CD2-CG2 4.11Å; F145-V166 HydrophobicContact CE1-CB 4.32Å; F145-V166 HydrophobicContact CE1-CG2 3.69Å; F145-V166 HydrophobicContact CE2-CG2 3.77Å; F145-V166 HydrophobicContact CG-CG2 4.26Å; F145-V166 HydrophobicContact CZ-CG2 3.55Å; I155-V166 HydrophobicContact CG2-CG1 3.85Å; V157-V166 HydrophobicContact CG1-CG2 4.49Å; V157-V166 HydrophobicContact CG2-CG1 4.46Å; V157-V166 HydrophobicContact CG2-CG2 4.3Å; V164-V166 HydrophobicContact CG1-CG2 4.39Å; V166-C184 CarbonylContact O-C 3.56Å; V166-C184 VanDerWaalsContact O-CA 3.27Å; V166-C184 WeakPolarHBondContact O-CA 3.44Å; V166-R185 PolarHBondContact N-O 2.92Å; V166-R185 PolarHBondContact O-N 3.33Å; V166-L208 HydrophobicContact CG1-CD2 3.56Å; V166-L208 HydrophobicContact CG2-CD2 4.16Å
167	H	95.2	Very high	90.5	Very high	53 Å²	53	55.9 Å²	55.9	25%	0.245	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.4	175.3	176.2	-95	0	0	0	108.9	I155 N156 E182 F183	I155-H167 CarbonylContact C-O 3.57Å; I155-H167 WeakPolarHBondContact CA-O 3.5Å; N156-H167 PolarHBondContact N-O 2.81Å; N156-H167 PolarHBondContact O-N 3.13Å; H167-E182 IonicContact CD2-OE2 3.17Å; H167-E182 IonicContact CE1-OE2 2.89Å; H167-E182 PolarHBondContact CE1-OE2 3Å; H167-E182 IonicContact NE2-OE2 3.04Å; H167-E182 PolarHBondContact NE2-OE2 3.2Å; H167-F183 CarbonylContact C-O 3.55Å; H167-F183 WeakPolarHBondContact CA-O 3.47Å
168	A	96.1	Very high	90	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.6	177.7	0	0	0	0	0	110.5	L80 F150 D154 I155 E182 F183	L80-A168 HydrophobicContact CD1-CB 3.69Å; F150-A168 HydrophobicContact CD1-CB 3.66Å; F150-A168 HydrophobicContact CE1-CB 3.6Å; F150-A168 HydrophobicContact CG-CB 4.18Å; F150-A168 HydrophobicContact CZ-CB 4.12Å; D154-A168 CarbonylContact O-C 3.52Å; D154-A168 VanDerWaalsContact O-CA 3.27Å; D154-A168 WeakPolarHBondContact O-CA 3.35Å; I155-A168 HydrophobicContact CG1-CB 4.06Å; A168-E182 CarbonylContact O-C 3.44Å; A168-E182 WeakPolarHBondContact O-CA 3.49Å; A168-F183 PolarHBondContact N-O 3.06Å; A168-F183 PolarHBondContact O-N 2.81Å
169	K	93.6	Very high	89.5	Confident	79 Å²	79	65 Å²	65	34%	0.343	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.1	178	-175.8	-178	174.5	-158.1	0	110	D154 E171 S180 E182	D154-K169 WeakPolarHBondContact CB-O 3.34Å; D154-K169 PolarHBondContact O-N 2.91Å; K169-E171 VanDerWaalsContact CE-OE1 3.25Å; K169-E171 WeakPolarHBondContact CE-OE1 3.44Å; K169-E171 IonicContact NZ-OE1 2.7Å; K169-E171 PolarHBondContact NZ-OE1 3.01Å; K169-S180 WeakPolarHBondContact CE-OG 2.89Å; K169-E182 HydrophobicContact CB-CG 4.31Å; K169-E182 HydrophobicContact CG-CG 4.06Å
170	K	90.8	Very high	89.3	Confident	79 Å²	79	67.4 Å²	67.4	34%	0.343	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	114.7	177.7	-170.3	165.4	-172.6	157.8	0	110.6	G149 F150 S180 R181 F183	G149-K170 PolarHBondContact O-NZ 3.23Å; F150-K170 HydrophobicContact CD1-CB 4.39Å; F150-K170 HydrophobicContact CE1-CB 3.84Å; F150-K170 HydrophobicContact CE1-CD 4.37Å; K170-S180 WeakPolarHBondContact O-CA 3.43Å; K170-R181 PolarHBondContact N-O 2.99Å; K170-R181 PolarHBondContact O-N 2.77Å; K170-F183 HydrophobicContact CB-CE2 4.29Å
171	E	89.2	Confident	89.3	Confident	121 Å²	121	73.9 Å²	73.9	57%	0.565	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.6	170.5	-64.5	-171.8	179.2	0	0	109.8	K169 C179	K169-E171 VanDerWaalsContact CE-OE1 3.25Å; K169-E171 WeakPolarHBondContact CE-OE1 3.44Å; K169-E171 IonicContact NZ-OE1 2.7Å; K169-E171 PolarHBondContact NZ-OE1 3.01Å; E171-C179 CarbonylContact C-O 3.6Å; E171-C179 WeakPolarHBondContact CA-O 3.37Å
172	T	85.2	Confident	89.7	Confident	65 Å²	65	73 Å²	73	40%	0.399	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.3	173.8	-53.1	0	0	0	0	108.5	T174 C179	T172-T174 HydrophobicContact CG2-CG2 4.16Å; T172-C179 PolarHBondContact N-O 2.72Å; T172-C179 PolarHBondContact O-N 3.48Å
173	T	86.6	Confident	90	Very high	97 Å²	97	72.7 Å²	72.7	60%	0.595	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.6	173.3	-57.4	0	0	0	0	108.7	K178	T173-K178 HydrophobicContact CG2-CG 4.2Å
174	T	84.4	Confident	90.1	Very high	89 Å²	89	69.7 Å²	69.7	55%	0.546	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	168	173.3	60.8	0	0	0	0	109.1	T172 G176 G177	T172-T174 HydrophobicContact CG2-CG2 4.16Å; T174-G176 PolarHBondContact O-N 3.13Å; T174-G177 PolarHBondContact N-O 3.28Å; T174-G177 PolarHBondContact O-N 3.4Å; T174-G177 VanDerWaalsContact O-O 3.09Å; T174-G177 PolarHBondContact OG1-O 2.73Å
175	D	85.2	Confident	90	Very high	184 Å²	184	69.7 Å²	69.7	98%	0.984	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.4	179.6	-61.6	-21.5	0	0	0	113.3
176	G	84.7	Confident	89.9	Confident	80 Å²	80	70.4 Å²	70.4	83%	0.825	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	0.6	178.2	0	0	0	0	0	115.8	T174	T174-G176 PolarHBondContact O-N 3.13Å
177	G	86.8	Confident	89.7	Confident	36 Å²	36	70.4 Å²	70.4	37%	0.371	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	137.6	-175.4	177	0	0	0	0	0	115	T174	T174-G177 PolarHBondContact N-O 3.28Å; T174-G177 PolarHBondContact O-N 3.4Å; T174-G177 VanDerWaalsContact O-O 3.09Å; T174-G177 PolarHBondContact OG1-O 2.73Å
178	K	86.8	Confident	89.5	Confident	168 Å²	168	70.3 Å²	70.3	73%	0.73	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.7	176.1	-63.6	-174.2	177.4	-175.2	0	109.9	T173	T173-K178 HydrophobicContact CG2-CG 4.2Å
179	C	85.9	Confident	89.3	Confident	58 Å²	58	70.6 Å²	70.6	39%	0.392	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.8	172.6	-178.3	0	0	0	0	108.9	E171 T172	E171-C179 CarbonylContact C-O 3.6Å; E171-C179 WeakPolarHBondContact CA-O 3.37Å; T172-C179 PolarHBondContact N-O 2.72Å; T172-C179 PolarHBondContact O-N 3.48Å
180	S	88.5	Confident	89.1	Confident	61 Å²	61	67.3 Å²	67.3	43%	0.427	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.2	170.8	-180	0	0	0	0	108.9	K169 K170	K169-S180 WeakPolarHBondContact CE-OG 2.89Å; K170-S180 WeakPolarHBondContact O-CA 3.43Å
181	R	90	Very high	89	Confident	159 Å²	159	71.8 Å²	71.8	60%	0.6	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.2	172.2	-65.9	-177.4	-175.7	170.8	-0.1	109.2	K170 F183	K170-R181 PolarHBondContact N-O 2.99Å; K170-R181 PolarHBondContact O-N 2.77Å; R181-F183 HydrophobicContact CB-CE2 3.75Å; R181-F183 HydrophobicContact CB-CZ 4.26Å
182	E	91.8	Very high	89	Confident	73 Å²	73	66.6 Å²	66.6	34%	0.341	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.4	177.4	-68.3	-177.5	-156.7	0	0	109.6	L83 H167 A168 K169	L83-E182 HydrophobicContact CB-CB 3.86Å; L83-E182 WeakPolarHBondContact CB-O 3.45Å; L83-E182 HydrophobicContact CD2-CB 4.03Å; L83-E182 WeakPolarHBondContact CD2-OE2 3.1Å; L83-E182 PolarHBondContact N-O 2.83Å; H167-E182 IonicContact CD2-OE2 3.17Å; H167-E182 IonicContact CE1-OE2 2.89Å; H167-E182 PolarHBondContact CE1-OE2 3Å; H167-E182 IonicContact NE2-OE2 3.04Å; H167-E182 PolarHBondContact NE2-OE2 3.2Å; A168-E182 CarbonylContact O-C 3.44Å; A168-E182 WeakPolarHBondContact O-CA 3.49Å; K169-E182 HydrophobicContact CB-CG 4.31Å; K169-E182 HydrophobicContact CG-CG 4.06Å
183	F	93.1	Very high	89.4	Confident	35 Å²	35	63.6 Å²	63.6	15%	0.154	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147	-179.2	-59.6	-104.4	0	0	0	109.2	L80 L81 P82 F150 H167 A168 K170 R181	L80-F183 HydrophobicContact CB-CB 3.74Å; L81-F183 CarbonylContact O-C 3.55Å; L81-F183 WeakPolarHBondContact O-CA 3.48Å; P82-F183 HydrophobicContact CB-CD1 4.42Å; P82-F183 HydrophobicContact CB-CE1 4.38Å; P82-F183 HydrophobicContact CG-CD1 4.06Å; P82-F183 HydrophobicContact CG-CE1 3.85Å; F150-F183 AromaticContact CE1-CD2 3.82Å; F150-F183 HydrophobicContact CE1-CD2 3.82Å; F150-F183 HydrophobicContact CE1-CE2 4.23Å; F150-F183 HydrophobicContact CZ-CB 4.29Å; F150-F183 AromaticContact CZ-CD2 3.52Å; F150-F183 HydrophobicContact CZ-CD2 3.52Å; F150-F183 AromaticContact CZ-CE2 3.9Å; F150-F183 HydrophobicContact CZ-CE2 3.9Å; F150-F183 AromaticContact CZ-CG 3.87Å; F150-F183 HydrophobicContact CZ-CG 3.87Å; H167-F183 CarbonylContact C-O 3.55Å; H167-F183 WeakPolarHBondContact CA-O 3.47Å; A168-F183 PolarHBondContact N-O 3.06Å; A168-F183 PolarHBondContact O-N 2.81Å; K170-F183 HydrophobicContact CB-CE2 4.29Å; R181-F183 HydrophobicContact CB-CE2 3.75Å; R181-F183 HydrophobicContact CB-CZ 4.26Å
184	C	92.6	Very high	89.7	Confident	4 Å²	4	61 Å²	61	3%	0.027	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	145	-176.3	-175	0	0	0	0	111.5	L81 L83 V166	L81-C184 PolarHBondContact N-O 3.28Å; L81-C184 PolarHBondContact O-N 3.12Å; L83-C184 HydrophobicContact CD1-CB 3.74Å; V166-C184 CarbonylContact O-C 3.56Å; V166-C184 VanDerWaalsContact O-CA 3.27Å; V166-C184 WeakPolarHBondContact O-CA 3.44Å
185	R	93.1	Very high	90	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	137.8	163.7	-168	70.3	171.3	-168.8	2.3	109.4	F78 A79 L80 D102 G121 F145 V166	F78-R185 HydrophobicContact CB-CG 3.99Å; F78-R185 HydrophobicContact CG-CG 4.38Å; A79-R185 WeakPolarHBondContact O-CD 3.36Å; L80-R185 HydrophobicContact CD2-CB 3.76Å; D102-R185 IonicContact OD1-CZ 3.84Å; D102-R185 VanDerWaalsContact OD1-CZ 3.24Å; D102-R185 IonicContact OD1-NH1 3.64Å; D102-R185 PolarHBondContact OD1-NH1 3.49Å; D102-R185 IonicContact OD1-NH2 3.13Å; D102-R185 PolarHBondContact OD1-NH2 3.24Å; D102-R185 IonicContact OD2-CZ 3.03Å; D102-R185 IonicContact OD2-NH1 2.73Å; D102-R185 IonicContact OD2-NH2 2.92Å; D102-R185 PolarHBondContact OD2-NH2 3.15Å; G121-R185 PolarHBondContact O-NH2 2.85Å; F145-R185 HydrophobicContact CD1-CB 4.12Å; F145-R185 HydrophobicContact CD1-CG 4.09Å; F145-R185 HydrophobicContact CE1-CB 4.05Å; F145-R185 HydrophobicContact CE1-CG 3.86Å; V166-R185 PolarHBondContact N-O 2.92Å; V166-R185 PolarHBondContact O-N 3.33Å
186	M	92.3	Very high	90.4	Very high	37 Å²	37	55.2 Å²	55.2	18%	0.182	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.4	175.5	-66.8	173.3	-169.7	0	0	109.5	P94 F95 M98 V164 T165	P94-M186 HydrophobicContact CB-SD 3.82Å; P94-M186 HydrophobicContact CG-SD 3.97Å; F95-M186 HydrophobicContact CE1-CB 3.9Å; F95-M186 HydrophobicContact CZ-CB 4.17Å; M98-M186 HydrophobicContact CE-CB 3.7Å; M98-M186 HydrophobicContact CE-CG 3.75Å; M98-M186 VanDerWaalsContact CE-N 3.29Å; M98-M186 HydrophobicContact CE-SD 4.18Å; M98-M186 HydrophobicContact SD-CB 3.86Å; M98-M186 PolarHBondContact SD-N 3.09Å; M98-M186 VanDerWaalsContact SD-N 3.35Å; V164-M186 CarbonylContact O-C 3.59Å; V164-M186 VanDerWaalsContact O-CA 3.28Å; V164-M186 WeakPolarHBondContact O-CA 3.45Å; T165-M186 HydrophobicContact CG2-CE 4.01Å; T165-M186 HydrophobicContact CG2-CG 3.96Å
187	V	91.7	Very high	90.8	Very high	1 Å²	1	56 Å²	56	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.2	176.5	179.9	0	0	0	0	108.2	F78 F126 F145 R163 V164	F78-V187 HydrophobicContact CD2-CG2 3.84Å; F78-V187 HydrophobicContact CE2-CG1 4.3Å; F78-V187 HydrophobicContact CE2-CG2 3.47Å; F78-V187 VanDerWaalsContact CE2-CG2 3.47Å; F78-V187 HydrophobicContact CZ-CG1 4.45Å; F78-V187 HydrophobicContact CZ-CG2 3.88Å; F126-V187 HydrophobicContact CD2-CG1 4.37Å; F126-V187 HydrophobicContact CE1-CG1 4.17Å; F126-V187 HydrophobicContact CE2-CG1 3.68Å; F126-V187 HydrophobicContact CZ-CG1 3.58Å; F145-V187 HydrophobicContact CE1-CG2 3.81Å; F145-V187 HydrophobicContact CZ-CG2 3.72Å; R163-V187 CarbonylContact C-O 3.53Å; R163-V187 VanDerWaalsContact CA-O 3.29Å; R163-V187 WeakPolarHBondContact CA-O 3.45Å; V164-V187 PolarHBondContact N-O 2.73Å; V164-V187 PolarHBondContact O-N 2.61Å
188	Q	90.3	Very high	91.3	Very high	51 Å²	51	55 Å²	55	24%	0.238	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	126.7	171.5	-168.7	65.9	38.7	0	0	108.5	F95 F126 N162 P190	F95-Q188 HydrophobicContact CE1-CB 4.18Å; F95-Q188 HydrophobicContact CZ-CB 4.17Å; F126-Q188 WeakPolarHBondContact CZ-O 3.3Å; N162-Q188 PolarHBondContact ND2-NE2 2.82Å; N162-Q188 PolarHBondContact O-NE2 2.68Å; N162-Q188 PolarHBondContact OD1-NE2 3.24Å; Q188-P190 WeakPolarHBondContact O-CD 3.48Å
189	L	91.9	Very high	91.8	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.031	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-88.2	125.9	177.1	-62.5	-180	0	0	0	110.5	F141 N162 V164 I193 D195 L198	F141-L189 HydrophobicContact CE1-CD2 3.82Å; F141-L189 HydrophobicContact CZ-CD2 4.05Å; N162-L189 WeakPolarHBondContact O-CB 3.33Å; N162-L189 PolarHBondContact O-N 3Å; V164-L189 HydrophobicContact CG2-CD1 3.71Å; V164-L189 HydrophobicContact CG2-CD2 4.03Å; V164-L189 HydrophobicContact CG2-CG 4.06Å; L189-I193 HydrophobicContact CB-CD1 4.49Å; L189-I193 HydrophobicContact CD2-CD1 4.44Å; L189-D195 HydrophobicContact CD1-CB 4.05Å; L189-L198 HydrophobicContact CD1-CD1 3.74Å
190	P	90.2	Very high	92.4	Very high	9 Å²	9	50.1 Å²	50.1	6%	0.058	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-55	148.5	165.4	-27.4	30.1	0	0	0	113.8	L127 Y131 F141 Q188 S192 I193 D327	L127-P190 HydrophobicContact CD1-CG 4.17Å; L127-P190 HydrophobicContact CD2-CG 3.32Å; L127-P190 HydrophobicContact CG-CG 4.42Å; Y131-P190 WeakPolarHBondContact OH-CB 3.44Å; Y131-P190 WeakPolarHBondContact OH-CG 3.27Å; F141-P190 HydrophobicContact CE2-CG 4.39Å; Q188-P190 WeakPolarHBondContact O-CD 3.48Å; P190-S192 PolarHBondContact O-N 3.05Å; P190-I193 HydrophobicContact CB-CD1 3.91Å; P190-I193 HydrophobicContact CB-CG1 4.27Å; P190-I193 VanDerWaalsContact CD-CD1 3.43Å; P190-I193 HydrophobicContact CG-CD1 3.83Å; P190-I193 PolarHBondContact O-N 3.2Å; P190-D327 HydrophobicContact CB-CB 4.34Å; P190-D327 WeakPolarHBondContact CB-OD2 3.48Å
191	K	88.9	Confident	92.8	Very high	173 Å²	173	48.3 Å²	48.3	75%	0.752	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.8	176.4	-66.4	179.3	-176.4	171.8	0	113.5	I193	K191-I193 PolarHBondContact O-N 3.07Å
192	S	90.1	Very high	93.2	Very high	13 Å²	13	41 Å²	41	9%	0.091	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-0.1	178.7	61.5	0	0	0	0	113.8	Y131 P190 V214 K215 D327	Y131-S192 PolarHBondContact OH-OG 3.23Å; P190-S192 PolarHBondContact O-N 3.05Å; S192-V214 CarbonylContact O-C 3.4Å; S192-V214 WeakPolarHBondContact O-CA 3.24Å; S192-K215 WeakPolarHBondContact O-CB 3.37Å; S192-K215 PolarHBondContact O-N 2.86Å; S192-D327 WeakPolarHBondContact CB-OD2 3.37Å; S192-D327 PolarHBondContact OG-OD2 2.81Å
193	I	92.8	Very high	93.5	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-99.2	142.2	-179.5	-57.7	161	0	0	0	109.8	Y131 F141 L189 P190 K191 D195 A212 K215	Y131-I193 HydrophobicContact CE1-CG1 4.48Å; F141-I193 HydrophobicContact CB-CD1 3.86Å; F141-I193 HydrophobicContact CB-CG1 3.7Å; F141-I193 HydrophobicContact CB-CG2 4.16Å; F141-I193 HydrophobicContact CD1-CD1 3.54Å; F141-I193 HydrophobicContact CD1-CG1 4.25Å; F141-I193 HydrophobicContact CD1-CG2 4.31Å; F141-I193 HydrophobicContact CD2-CD1 3.27Å; F141-I193 HydrophobicContact CD2-CG1 3.95Å; F141-I193 HydrophobicContact CE1-CD1 3.74Å; F141-I193 HydrophobicContact CE2-CD1 3.47Å; F141-I193 VanDerWaalsContact CE2-CD1 3.47Å; F141-I193 HydrophobicContact CG-CD1 3.26Å; F141-I193 HydrophobicContact CG-CG1 3.72Å; F141-I193 HydrophobicContact CG-CG2 4.4Å; F141-I193 HydrophobicContact CZ-CD1 3.69Å; L189-I193 HydrophobicContact CB-CD1 4.49Å; L189-I193 HydrophobicContact CD2-CD1 4.44Å; P190-I193 HydrophobicContact CB-CD1 3.91Å; P190-I193 HydrophobicContact CB-CG1 4.27Å; P190-I193 VanDerWaalsContact CD-CD1 3.43Å; P190-I193 HydrophobicContact CG-CD1 3.83Å; P190-I193 PolarHBondContact O-N 3.2Å; K191-I193 PolarHBondContact O-N 3.07Å; I193-D195 VanDerWaalsContact C-N 3.29Å; I193-D195 PolarHBondContact O-N 3.23Å; I193-D195 VanDerWaalsContact O-N 3.13Å; I193-A212 HydrophobicContact CG2-CB 3.41Å; I193-A212 VanDerWaalsContact CG2-CB 3.41Å; I193-K215 WeakPolarHBondContact O-CD 3.47Å; I193-K215 VanDerWaalsContact O-CE 3.25Å; I193-K215 WeakPolarHBondContact O-CE 3.24Å; I193-K215 PolarHBondContact O-NZ 3.25Å
194	D	92.6	Very high	93.6	Very high	43 Å²	43	39.8 Å²	39.8	23%	0.23	20%	0.201	C	C	.	.			trans	-81	80.7	163.7	-167.9	0.1	0	0	0	110.4	S196 Q197 A212 P213 K215	D194-S196 PolarHBondContact O-N 2.86Å; D194-S196 VanDerWaalsContact O-N 3.17Å; D194-S196 WeakPolarHBondContact OD1-CB 3.35Å; D194-S196 PolarHBondContact OD1-N 3.05Å; D194-S196 PolarHBondContact OD1-OG 3.45Å; D194-Q197 HydrophobicContact CB-CB 4.49Å; D194-Q197 HydrophobicContact CB-CG 4.46Å; D194-Q197 PolarHBondContact O-N 3.4Å; D194-Q197 WeakPolarHBondContact OD2-CG 3.38Å; D194-A212 WeakPolarHBondContact O-CB 3.35Å; D194-P213 PolarHBondContact N-O 2.96Å; D194-K215 HydrophobicContact CB-CG 4.24Å
195	D	91.5	Very high	93.8	Very high	57 Å²	57	42.1 Å²	42.1	31%	0.305	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-59.3	-21.5	179.9	62	-36	0	0	0	113.7	L189 I193 Q197 L198 K215	L189-D195 HydrophobicContact CD1-CB 4.05Å; I193-D195 VanDerWaalsContact C-N 3.29Å; I193-D195 PolarHBondContact O-N 3.23Å; I193-D195 VanDerWaalsContact O-N 3.13Å; D195-Q197 PolarHBondContact O-N 3.46Å; D195-L198 HydrophobicContact CB-CD1 4.09Å; D195-L198 VanDerWaalsContact O-CD1 3.29Å; D195-L198 WeakPolarHBondContact O-CD1 3.3Å; D195-L198 WeakPolarHBondContact O-CG 3.39Å; D195-L198 PolarHBondContact O-N 2.86Å; D195-K215 IonicContact OD1-NZ 3.45Å
196	S	92.2	Very high	94	Very high	94 Å²	94	42.4 Å²	42.4	66%	0.657	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-68.8	-19.2	173.3	78.8	0	0	0	0	113.6	D194	D194-S196 PolarHBondContact O-N 2.86Å; D194-S196 VanDerWaalsContact O-N 3.17Å; D194-S196 WeakPolarHBondContact OD1-CB 3.35Å; D194-S196 PolarHBondContact OD1-N 3.05Å; D194-S196 PolarHBondContact OD1-OG 3.45Å
197	Q	94.6	Very high	94.3	Very high	95 Å²	95	40.8 Å²	40.8	44%	0.444	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-106.1	15.8	-178.1	-66.2	-73.4	-11.5	0	0	112.5	D194 D195 K199 P213	D194-Q197 HydrophobicContact CB-CB 4.49Å; D194-Q197 HydrophobicContact CB-CG 4.46Å; D194-Q197 PolarHBondContact O-N 3.4Å; D194-Q197 WeakPolarHBondContact OD2-CG 3.38Å; D195-Q197 PolarHBondContact O-N 3.46Å; Q197-K199 PolarHBondContact O-N 3.42Å; Q197-P213 HydrophobicContact CB-CG 4.13Å
198	L	96.5	Very high	94.6	Very high	17 Å²	17	40.8 Å²	40.8	9%	0.089	21%	0.208	C	C	.	.			trans	-60.2	127.6	178.6	-76	163.6	0	0	0	111.4	I12 V164 L189 D195 L210 E211 A212	I12-L198 HydrophobicContact CD1-CB 3.63Å; I12-L198 HydrophobicContact CD1-CD1 3.97Å; I12-L198 HydrophobicContact CD1-CG 4.42Å; I12-L198 HydrophobicContact CG1-CB 4.48Å; V164-L198 HydrophobicContact CG2-CD1 3.89Å; L189-L198 HydrophobicContact CD1-CD1 3.74Å; D195-L198 HydrophobicContact CB-CD1 4.09Å; D195-L198 VanDerWaalsContact O-CD1 3.29Å; D195-L198 WeakPolarHBondContact O-CD1 3.3Å; D195-L198 WeakPolarHBondContact O-CG 3.39Å; D195-L198 PolarHBondContact O-N 2.86Å; L198-L210 HydrophobicContact CB-CD1 4.42Å; L198-L210 HydrophobicContact CD2-CD1 4.28Å; L198-L210 HydrophobicContact CD2-CD2 3.84Å; L198-L210 HydrophobicContact CD2-CG 3.83Å; L198-E211 CarbonylContact C-O 3.49Å; L198-E211 WeakPolarHBondContact CA-O 3.42Å; L198-A212 HydrophobicContact CD2-CB 3.61Å; L198-A212 HydrophobicContact CG-CB 4.06Å
199	K	97.3	Very high	95	Very high	121 Å²	121	38.6 Å²	38.6	53%	0.526	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.1	174.7	-66.3	176	-173.8	174.7	0	109.3	Q197 L210 E211	Q197-K199 PolarHBondContact O-N 3.42Å; K199-L210 WeakPolarHBondContact O-CA 3.41Å; K199-E211 HydrophobicContact CB-CG 4.08Å; K199-E211 PolarHBondContact N-O 3.02Å; K199-E211 PolarHBondContact O-N 3.44Å
200	C	98	Very high	95.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.2	175.5	-165.8	0	0	0	0	110.9	I12 N15 L208 M209 L210	I12-C200 HydrophobicContact CG2-CB 3.67Å; N15-C200 PolarHBondContact N-O 3.41Å; N15-C200 PolarHBondContact ND2-O 3.05Å; C200-L208 WeakPolarHBondContact SG-CD1 3.5Å; C200-M209 WeakPolarHBondContact CA-O 3.47Å; C200-M209 PolarHBondContact SG-O 3Å; C200-L210 HydrophobicContact CB-CD1 3.92Å
201	R	97.4	Very high	95.6	Very high	23 Å²	23	39.3 Å²	39.3	9%	0.087	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151	176.5	60.1	178.5	118	118.6	-28.3	111.8	N15 E17 L208 M209 E211	N15-R201 CarbonylContact O-C 3.56Å; N15-R201 WeakPolarHBondContact O-CA 3.49Å; N15-R201 WeakPolarHBondContact O-CB 3.37Å; E17-R201 VanDerWaalsContact CD-CD 3.43Å; E17-R201 HydrophobicContact CG-CB 4.2Å; E17-R201 WeakPolarHBondContact OE1-CD 3.46Å; E17-R201 IonicContact OE1-NE 2.83Å; R201-L208 CarbonylContact O-C 3.55Å; R201-L208 WeakPolarHBondContact O-CA 3.37Å; R201-M209 HydrophobicContact CG-CB 4.04Å; R201-M209 HydrophobicContact CG-CE 3.96Å; R201-M209 PolarHBondContact N-O 2.93Å; R201-M209 PolarHBondContact O-N 3.43Å; R201-E211 VanDerWaalsContact CZ-CD 3.41Å; R201-E211 IonicContact CZ-OE1 3.82Å; R201-E211 VanDerWaalsContact CZ-OE1 3.26Å; R201-E211 IonicContact CZ-OE2 3.68Å; R201-E211 IonicContact NE-OE1 3.94Å; R201-E211 PolarHBondContact NE-OE1 2.82Å; R201-E211 IonicContact NE-OE2 2.82Å; R201-E211 IonicContact NH1-OE2 3.07Å; R201-E211 IonicContact NH2-OE1 3.97Å; R201-E211 PolarHBondContact NH2-OE1 3.02Å; R201-E211 IonicContact NH2-OE2 3.91Å; R201-E211 PolarHBondContact NH2-OE2 3.47Å
202	M	98.1	Very high	96	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.03	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124	-179.5	-170.9	173.6	-178	0	0	110.2	V14 N15 R16 E17 A147 F150 P152 I155 V207 L208	V14-M202 HydrophobicContact CG1-CB 3.9Å; N15-M202 PolarHBondContact O-N 3.06Å; R16-M202 CarbonylContact C-O 3.56Å; R16-M202 WeakPolarHBondContact CA-O 3.41Å; E17-M202 PolarHBondContact N-O 2.95Å; A147-M202 HydrophobicContact CB-CE 3.94Å; A147-M202 WeakPolarHBondContact O-CE 3.49Å; F150-M202 WeakPolarHBondContact O-CE 3.39Å; P152-M202 HydrophobicContact CB-SD 4.48Å; P152-M202 HydrophobicContact CG-SD 3.93Å; I155-M202 HydrophobicContact CD1-CE 4.07Å; I155-M202 HydrophobicContact CD1-SD 3.74Å; M202-V207 WeakPolarHBondContact CA-O 3.22Å; M202-L208 HydrophobicContact CB-CD1 3.96Å; M202-L208 HydrophobicContact CG-CD1 4.36Å
203	T	98.1	Very high	96.2	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.025	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	160	175.4	50.9	0	0	0	0	111.5	R19 F21 Q24 D205 G206 V207 M209	R19-T203 WeakPolarHBondContact O-CA 3.4Å; R19-T203 VanDerWaalsContact O-CB 3.22Å; R19-T203 WeakPolarHBondContact O-CB 3.18Å; F21-T203 HydrophobicContact CB-CG2 4.34Å; Q24-T203 HydrophobicContact CB-CG2 4.49Å; T203-D205 WeakPolarHBondContact CB-OD1 3.38Å; T203-D205 PolarHBondContact O-N 3.21Å; T203-D205 PolarHBondContact OG1-OD1 3.19Å; T203-G206 PolarHBondContact O-N 3.35Å; T203-V207 PolarHBondContact N-O 2.77Å; T203-V207 WeakPolarHBondContact OG1-CA 3.41Å; T203-V207 VanDerWaalsContact OG1-CB 3.24Å; T203-V207 WeakPolarHBondContact OG1-CB 3.41Å; T203-V207 PolarHBondContact OG1-N 3.13Å; T203-V207 PolarHBondContact OG1-O 2.81Å; T203-M209 HydrophobicContact CG2-CE 3.75Å
204	D	96	Very high	96.2	Very high	79 Å²	79	33.6 Å²	33.6	42%	0.422	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-22.5	-179.7	-80.4	-31.4	0	0	0	113.3	R16 E17 Q18 R19 G206	R16-D204 IonicContact CZ-OD1 2.84Å; R16-D204 IonicContact NE-OD1 2.76Å; R16-D204 PolarHBondContact NE-OD1 2.83Å; R16-D204 IonicContact NH2-OD1 3.38Å; R16-D204 PolarHBondContact NH2-OD1 2.82Å; E17-D204 PolarHBondContact O-N 3.09Å; Q18-D204 WeakPolarHBondContact CA-OD2 3.39Å; R19-D204 PolarHBondContact N-OD2 3.01Å; R19-D204 PolarHBondContact O-N 2.98Å; D204-G206 VanDerWaalsContact C-N 3.34Å
205	D	96.7	Very high	96	Very high	52 Å²	52	36.6 Å²	36.6	28%	0.278	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	11.7	174.5	66.4	-33.6	0	0	0	113.5	S20 F21 R74 T203	S20-D205 WeakPolarHBondContact CA-OD1 3.21Å; F21-D205 PolarHBondContact N-OD1 2.89Å; F21-D205 PolarHBondContact N-OD2 2.71Å; R74-D205 IonicContact NH1-OD2 2.79Å; R74-D205 IonicContact NH2-OD2 2.75Å; T203-D205 WeakPolarHBondContact CB-OD1 3.38Å; T203-D205 PolarHBondContact O-N 3.21Å; T203-D205 PolarHBondContact OG1-OD1 3.19Å
206	G	97	Very high	95.3	Very high	6 Å²	6	35.2 Å²	35.2	6%	0.062	19%	0.185	C	C	.	.	S	Bend	trans	89.2	14.4	167.4	0	0	0	0	0	115.8	A147 Q148 T203 D204 L208	A147-G206 CarbonylContact C-O 3.52Å; A147-G206 VanDerWaalsContact CA-O 3.29Å; A147-G206 WeakPolarHBondContact CA-O 3.49Å; A147-G206 WeakPolarHBondContact CB-O 3.42Å; A147-G206 PolarHBondContact N-O 2.87Å; Q148-G206 PolarHBondContact N-O 3.46Å; T203-G206 PolarHBondContact O-N 3.35Å; D204-G206 VanDerWaalsContact C-N 3.34Å; G206-L208 PolarHBondContact O-N 2.77Å
207	V	97.9	Very high	94.5	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.024	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	111.6	172.1	-174.8	0	0	0	0	109.3	F21 M77 R144 M202 T203 M209	F21-V207 HydrophobicContact CB-CB 4.05Å; F21-V207 HydrophobicContact CB-CG2 3.63Å; F21-V207 HydrophobicContact CD1-CG2 4.38Å; F21-V207 HydrophobicContact CD2-CB 4.44Å; F21-V207 HydrophobicContact CD2-CG1 4.11Å; F21-V207 HydrophobicContact CG-CB 4.27Å; F21-V207 HydrophobicContact CG-CG1 4.26Å; F21-V207 HydrophobicContact CG-CG2 3.96Å; M77-V207 HydrophobicContact CE-CB 4.33Å; M77-V207 HydrophobicContact CE-CG1 3.62Å; M77-V207 HydrophobicContact CE-CG2 3.71Å; M77-V207 HydrophobicContact SD-CG1 4.01Å; M77-V207 HydrophobicContact SD-CG2 3.92Å; R144-V207 HydrophobicContact CB-CG1 4.19Å; M202-V207 WeakPolarHBondContact CA-O 3.22Å; T203-V207 PolarHBondContact N-O 2.77Å; T203-V207 WeakPolarHBondContact OG1-CA 3.41Å; T203-V207 VanDerWaalsContact OG1-CB 3.24Å; T203-V207 WeakPolarHBondContact OG1-CB 3.41Å; T203-V207 PolarHBondContact OG1-N 3.13Å; T203-V207 PolarHBondContact OG1-O 2.81Å; V207-M209 HydrophobicContact CG1-CG 3.93Å
208	L	98.4	Very high	93.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.3	171.1	-174.4	78.5	0	0	0	108.7	V14 R144 F145 A147 I155 V157 V166 C200 R201 M202 G206	V14-L208 HydrophobicContact CG1-CD1 3.49Å; V14-L208 VanDerWaalsContact CG1-CD1 3.49Å; V14-L208 HydrophobicContact CG2-CD1 4.23Å; R144-L208 CarbonylContact C-O 3.17Å; R144-L208 WeakPolarHBondContact CA-O 3.37Å; F145-L208 HydrophobicContact CB-CB 4.22Å; F145-L208 HydrophobicContact CB-CD2 4.46Å; F145-L208 HydrophobicContact CD2-CD2 4.18Å; F145-L208 HydrophobicContact CG-CD2 4.49Å; F145-L208 PolarHBondContact N-O 3.11Å; F145-L208 PolarHBondContact O-N 3.03Å; A147-L208 HydrophobicContact CB-CB 4.01Å; I155-L208 HydrophobicContact CD1-CD1 4.45Å; I155-L208 HydrophobicContact CG2-CD2 4.05Å; V157-L208 HydrophobicContact CG2-CD2 4.14Å; V166-L208 HydrophobicContact CG1-CD2 3.56Å; V166-L208 HydrophobicContact CG2-CD2 4.16Å; C200-L208 WeakPolarHBondContact SG-CD1 3.5Å; R201-L208 CarbonylContact O-C 3.55Å; R201-L208 WeakPolarHBondContact O-CA 3.37Å; M202-L208 HydrophobicContact CB-CD1 3.96Å; M202-L208 HydrophobicContact CG-CD1 4.36Å; G206-L208 PolarHBondContact O-N 2.77Å
209	M	97.9	Very high	91.9	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.4	-178.7	-59.3	-174.2	-76.7	0	0	109.5	F21 Q24 V143 R144 C200 R201 T203 V207	F21-M209 HydrophobicContact CD2-SD 3.91Å; F21-M209 HydrophobicContact CE2-SD 3.89Å; Q24-M209 HydrophobicContact CG-CE 4.03Å; V143-M209 WeakPolarHBondContact O-CA 3.33Å; R144-M209 HydrophobicContact CG-CG 4.1Å; C200-M209 WeakPolarHBondContact CA-O 3.47Å; C200-M209 PolarHBondContact SG-O 3Å; R201-M209 HydrophobicContact CG-CB 4.04Å; R201-M209 HydrophobicContact CG-CE 3.96Å; R201-M209 PolarHBondContact N-O 2.93Å; R201-M209 PolarHBondContact O-N 3.43Å; T203-M209 HydrophobicContact CG2-CE 3.75Å; V207-M209 HydrophobicContact CG1-CG 3.93Å
210	L	97.7	Very high	90.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.7	171.2	-172.2	78.7	0	0	0	108.5	I12 K142 V143 F145 V157 V164 L198 K199 C200	I12-L210 HydrophobicContact CD1-CD1 4.11Å; I12-L210 HydrophobicContact CG2-CD1 4.37Å; K142-L210 WeakPolarHBondContact CA-O 3.47Å; V143-L210 HydrophobicContact CG2-CB 3.87Å; V143-L210 HydrophobicContact CG2-CD2 4.17Å; V143-L210 PolarHBondContact N-O 2.92Å; V143-L210 PolarHBondContact O-N 3.37Å; F145-L210 HydrophobicContact CE2-CB 4.4Å; V157-L210 HydrophobicContact CG1-CD1 4.18Å; V164-L210 HydrophobicContact CB-CD2 3.93Å; V164-L210 HydrophobicContact CG1-CD2 3.68Å; V164-L210 HydrophobicContact CG2-CD2 3.66Å; L198-L210 HydrophobicContact CB-CD1 4.42Å; L198-L210 HydrophobicContact CD2-CD1 4.28Å; L198-L210 HydrophobicContact CD2-CD2 3.84Å; L198-L210 HydrophobicContact CD2-CG 3.83Å; K199-L210 WeakPolarHBondContact O-CA 3.41Å; C200-L210 HydrophobicContact CB-CD1 3.92Å
211	E	97.4	Very high	90.5	Very high	28 Å²	28	35.1 Å²	35.1	13%	0.131	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.3	-177.8	72.7	180	176.9	0	0	113.3	F141 K142 L198 K199 R201	F141-E211 CarbonylContact O-C 3.59Å; F141-E211 WeakPolarHBondContact O-CA 3.35Å; K142-E211 WeakPolarHBondContact CE-OE2 3.16Å; K142-E211 HydrophobicContact CG-CB 3.6Å; L198-E211 CarbonylContact C-O 3.49Å; L198-E211 WeakPolarHBondContact CA-O 3.42Å; K199-E211 HydrophobicContact CB-CG 4.08Å; K199-E211 PolarHBondContact N-O 3.02Å; K199-E211 PolarHBondContact O-N 3.44Å; R201-E211 VanDerWaalsContact CZ-CD 3.41Å; R201-E211 IonicContact CZ-OE1 3.82Å; R201-E211 VanDerWaalsContact CZ-OE1 3.26Å; R201-E211 IonicContact CZ-OE2 3.68Å; R201-E211 IonicContact NE-OE1 3.94Å; R201-E211 PolarHBondContact NE-OE1 2.82Å; R201-E211 IonicContact NE-OE2 2.82Å; R201-E211 IonicContact NH1-OE2 3.07Å; R201-E211 IonicContact NH2-OE1 3.97Å; R201-E211 PolarHBondContact NH2-OE1 3.02Å; R201-E211 IonicContact NH2-OE2 3.91Å; R201-E211 PolarHBondContact NH2-OE2 3.47Å
212	A	96.8	Very high	90.2	Very high	1 Å²	1	34 Å²	34	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	153	170.2	0	0	0	0	0	111.1	F141 I193 D194 L198	F141-A212 PolarHBondContact N-O 3.17Å; F141-A212 PolarHBondContact O-N 3.34Å; I193-A212 HydrophobicContact CG2-CB 3.41Å; I193-A212 VanDerWaalsContact CG2-CB 3.41Å; D194-A212 WeakPolarHBondContact O-CB 3.35Å; L198-A212 HydrophobicContact CD2-CB 3.61Å; L198-A212 HydrophobicContact CG-CB 4.06Å
213	P	94.4	Very high	90	Very high	47 Å²	47	34.2 Å²	34.2	31%	0.305	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	155.8	165.4	-18.6	31.6	0	0	0	111.5	D194 Q197	D194-P213 PolarHBondContact N-O 2.96Å; Q197-P213 HydrophobicContact CB-CG 4.13Å
214	V	93.5	Very high	89.8	Confident	20 Å²	20	34.9 Å²	34.9	12%	0.121	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-103.3	141.3	174.1	-66.9	0	0	0	0	111.9	Y131 V139 F141 S192 V216 L329	Y131-V214 HydrophobicContact CD1-CG1 3.83Å; Y131-V214 HydrophobicContact CE1-CG1 3.63Å; V139-V214 HydrophobicContact CB-CG2 4.12Å; V139-V214 HydrophobicContact CG1-CG2 3.95Å; V139-V214 VanDerWaalsContact O-CG2 3.24Å; V139-V214 WeakPolarHBondContact O-CG2 3.38Å; F141-V214 HydrophobicContact CB-CG1 4.05Å; S192-V214 CarbonylContact O-C 3.4Å; S192-V214 WeakPolarHBondContact O-CA 3.24Å; V214-V216 VanDerWaalsContact C-N 3.34Å; V214-V216 HydrophobicContact CB-CG2 4.11Å; V214-V216 HydrophobicContact CG2-CG2 3.34Å; V214-V216 PolarHBondContact O-N 2.94Å; V214-V216 VanDerWaalsContact O-N 3.14Å; V214-L329 HydrophobicContact CB-CD1 3.54Å; V214-L329 HydrophobicContact CG1-CD1 3.55Å; V214-L329 HydrophobicContact CG2-CD1 3.86Å
215	K	89	Confident	89.6	Confident	106 Å²	106	32.7 Å²	32.7	46%	0.461	17%	0.17	S	C	.	.			trans	-78.3	81.4	170.5	-63.8	166.3	176.9	147.9	0	108.1	S192 I193 D194 D195	S192-K215 WeakPolarHBondContact O-CB 3.37Å; S192-K215 PolarHBondContact O-N 2.86Å; I193-K215 WeakPolarHBondContact O-CD 3.47Å; I193-K215 VanDerWaalsContact O-CE 3.25Å; I193-K215 WeakPolarHBondContact O-CE 3.24Å; I193-K215 PolarHBondContact O-NZ 3.25Å; D194-K215 HydrophobicContact CB-CG 4.24Å; D195-K215 IonicContact OD1-NZ 3.45Å
216	V	77.1	Confident	89.2	Confident	29 Å²	29	36.2 Å²	36.2	18%	0.176	19%	0.185	C	C	.	.			trans	-86.5	127.9	178.7	-167.3	0	0	0	0	110	P46 V214 Q220 L222	P46-V216 HydrophobicContact CB-CB 4.13Å; P46-V216 HydrophobicContact CB-CG1 3.45Å; P46-V216 VanDerWaalsContact CB-CG1 3.45Å; P46-V216 HydrophobicContact CG-CB 3.3Å; P46-V216 HydrophobicContact CG-CG1 3.16Å; P46-V216 HydrophobicContact CG-CG2 4.26Å; V214-V216 VanDerWaalsContact C-N 3.34Å; V214-V216 HydrophobicContact CB-CG2 4.11Å; V214-V216 HydrophobicContact CG2-CG2 3.34Å; V214-V216 PolarHBondContact O-N 2.94Å; V214-V216 VanDerWaalsContact O-N 3.14Å; V216-Q220 HydrophobicContact CG1-CB 3.95Å; V216-Q220 HydrophobicContact CG1-CG 4.39Å; V216-L222 HydrophobicContact CB-CD1 4.49Å; V216-L222 HydrophobicContact CG1-CD1 3.62Å; V216-L222 HydrophobicContact CG1-CG 4.24Å; V216-L222 HydrophobicContact CG2-CD1 3.98Å
217	D	75.1	Confident	88.7	Confident	71 Å²	71	38.3 Å²	38.3	38%	0.38	20%	0.198	S	C	.	.			trans	-69.1	136.7	172.2	-174.5	-17.5	0	0	0	109.6	P46 N219 Q220	P46-D217 WeakPolarHBondContact CB-O 3.27Å; D217-N219 PolarHBondContact O-N 3.14Å; D217-N219 PolarHBondContact OD1-N 3.04Å; D217-Q220 HydrophobicContact CB-CG 4.21Å; D217-Q220 WeakPolarHBondContact O-CB 3.35Å; D217-Q220 PolarHBondContact O-N 3.22Å
218	Q	66.7	Low	88.4	Confident	172 Å²	172	38.6 Å²	38.6	80%	0.804	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-24.9	175.1	-67.7	-176.3	2.1	0	0	112.8	Q220	Q218-Q220 VanDerWaalsContact C-N 3.32Å
219	N	68.6	Low	88.1	Confident	45 Å²	45	39.3 Å²	39.3	24%	0.241	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	8.3	179.6	-71.2	-17.5	0	0	0	113.9	D217 K235 Q247	D217-N219 PolarHBondContact O-N 3.14Å; D217-N219 PolarHBondContact OD1-N 3.04Å; N219-K235 WeakPolarHBondContact O-CE 3.14Å; N219-K235 PolarHBondContact O-NZ 3Å; N219-Q247 PolarHBondContact ND2-OE1 3.36Å
220	Q	77.8	Confident	87.9	Confident	24 Å²	24	39.2 Å²	39.2	11%	0.112	21%	0.205	C	C	.	.			trans	-87.5	153.5	170.9	-67.1	-179.3	17.3	0	0	111	P46 V216 D217 Q218 L222 L329	P46-Q220 CarbonylContact C-O 3.58Å; P46-Q220 CarbonylContact O-C 3.59Å; V216-Q220 HydrophobicContact CG1-CB 3.95Å; V216-Q220 HydrophobicContact CG1-CG 4.39Å; D217-Q220 HydrophobicContact CB-CG 4.21Å; D217-Q220 WeakPolarHBondContact O-CB 3.35Å; D217-Q220 PolarHBondContact O-N 3.22Å; Q218-Q220 VanDerWaalsContact C-N 3.32Å; Q220-L222 HydrophobicContact CB-CD2 4.42Å; Q220-L222 HydrophobicContact CB-CG 4.24Å; Q220-L329 PolarHBondContact NE2-O 3.35Å; Q220-L329 PolarHBondContact OE1-O 3.29Å
221	S	88	Confident	87.8	Confident	13 Å²	13	39.3 Å²	39.3	9%	0.091	21%	0.206	C	C	.	.			trans	-125.2	67.1	176.2	-62.8	0	0	0	0	108	R233	S221-R233 WeakPolarHBondContact CB-O 3.42Å; S221-R233 WeakPolarHBondContact O-CB 3.35Å; S221-R233 PolarHBondContact O-N 2.8Å
222	L	92.7	Very high	87.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	140.1	-176.8	-63.9	-177.8	0	0	0	111.1	P46 Y47 T48 V139 V216 Q220 V230 V232 L329	P46-L222 PolarHBondContact O-N 2.92Å; Y47-L222 HydrophobicContact CD1-CB 3.67Å; Y47-L222 HydrophobicContact CD1-CD1 4.15Å; Y47-L222 HydrophobicContact CD1-CG 4.46Å; Y47-L222 HydrophobicContact CE1-CB 4.05Å; Y47-L222 HydrophobicContact CE1-CD1 3.69Å; Y47-L222 HydrophobicContact CE1-CG 4.47Å; T48-L222 WeakPolarHBondContact CG2-O 3.41Å; T48-L222 PolarHBondContact N-O 3.44Å; T48-L222 PolarHBondContact OG1-O 2.93Å; V139-L222 HydrophobicContact CG2-CD1 4.39Å; V216-L222 HydrophobicContact CB-CD1 4.49Å; V216-L222 HydrophobicContact CG1-CD1 3.62Å; V216-L222 HydrophobicContact CG1-CG 4.24Å; V216-L222 HydrophobicContact CG2-CD1 3.98Å; Q220-L222 HydrophobicContact CB-CD2 4.42Å; Q220-L222 HydrophobicContact CB-CG 4.24Å; L222-V230 HydrophobicContact CD2-CG1 4.13Å; L222-V232 HydrophobicContact CD2-CG2 4.24Å; L222-L329 HydrophobicContact CD1-CD2 3.85Å; L222-L329 HydrophobicContact CD2-CD2 3.65Å; L222-L329 HydrophobicContact CG-CD2 4.43Å
223	T	93.8	Very high	87.6	Confident	10 Å²	10	39.9 Å²	39.9	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	-179.1	176.7	-169.5	0	0	0	0	109.2	A231 R233	T223-A231 HydrophobicContact CG2-CB 4.09Å; T223-A231 PolarHBondContact N-O 2.94Å; T223-A231 PolarHBondContact O-N 2.7Å; T223-A231 VanDerWaalsContact O-O 3.14Å; T223-R233 HydrophobicContact CG2-CB 4.25Å
224	L	93.8	Very high	87.6	Confident	19 Å²	19	37.7 Å²	37.7	10%	0.099	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.6	170	-58.3	175.2	0	0	0	109.4	W51 T54 W58 V133 Q229 V230	W51-L224 HydrophobicContact CH2-CD1 4.3Å; W51-L224 HydrophobicContact CH2-CD2 4.04Å; W51-L224 HydrophobicContact CH2-CG 3.99Å; W51-L224 HydrophobicContact CZ3-CD2 4.29Å; W51-L224 HydrophobicContact CZ3-CG 3.92Å; T54-L224 HydrophobicContact CG2-CB 3.84Å; T54-L224 HydrophobicContact CG2-CD1 4.16Å; T54-L224 HydrophobicContact CG2-CG 3.95Å; W58-L224 HydrophobicContact CB-CD1 3.45Å; W58-L224 VanDerWaalsContact CB-CD1 3.45Å; W58-L224 HydrophobicContact CD2-CD1 4.17Å; W58-L224 HydrophobicContact CG-CD1 3.52Å; V133-L224 HydrophobicContact CG2-CD1 4.01Å; L224-Q229 WeakPolarHBondContact CA-O 3.27Å; L224-V230 HydrophobicContact CD2-CG2 3.9Å
225	N	92	Very high	87.6	Confident	32 Å²	32	37.4 Å²	37.4	17%	0.171	19%	0.19	C	C	.	.			trans	-80.4	179.5	171.5	72.8	7.8	0	0	0	111	S227 G228 Q229 A231 N287	N225-S227 PolarHBondContact ND2-OG 3.28Å; N225-S227 PolarHBondContact O-N 2.87Å; N225-S227 VanDerWaalsContact O-N 3.17Å; N225-S227 WeakPolarHBondContact OD1-CA 3.24Å; N225-S227 PolarHBondContact OD1-N 2.53Å; N225-S227 PolarHBondContact OD1-OG 2.74Å; N225-G228 PolarHBondContact O-N 2.8Å; N225-G228 PolarHBondContact OD1-N 2.81Å; N225-Q229 PolarHBondContact N-O 3.48Å; N225-Q229 PolarHBondContact ND2-OE1 3.49Å; N225-Q229 PolarHBondContact OD1-N 3.39Å; N225-Q229 PolarHBondContact OD1-O 2.86Å; N225-A231 HydrophobicContact CB-CB 4.32Å; N225-N287 PolarHBondContact ND2-ND2 2.83Å
226	E	87	Confident	87.6	Confident	127 Å²	127	33.8 Å²	33.8	59%	0.593	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.3	-179.9	-58.8	-165.9	157.5	0	0	114.2	G228 R298	E226-G228 VanDerWaalsContact C-N 3.34Å; E226-R298 IonicContact OE1-CZ 3.97Å; E226-R298 IonicContact OE1-NH1 3.75Å; E226-R298 PolarHBondContact OE1-NH1 3.24Å
227	S	87.6	Confident	88.2	Confident	49 Å²	49	36.8 Å²	36.8	34%	0.343	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.6	175.3	77.7	0	0	0	0	112.9	R72 N225 Q229	R72-S227 PolarHBondContact NH1-O 2.96Å; N225-S227 PolarHBondContact ND2-OG 3.28Å; N225-S227 PolarHBondContact O-N 2.87Å; N225-S227 VanDerWaalsContact O-N 3.17Å; N225-S227 WeakPolarHBondContact OD1-CA 3.24Å; N225-S227 PolarHBondContact OD1-N 2.53Å; N225-S227 PolarHBondContact OD1-OG 2.74Å; S227-Q229 WeakPolarHBondContact OG-CG 3.34Å; S227-Q229 PolarHBondContact OG-OE1 3.36Å
228	G	91	Very high	88.8	Confident	10 Å²	10	39 Å²	39	10%	0.103	21%	0.205	C	C	.	.	S	Bend	trans	78.8	16.7	-178.6	0	0	0	0	0	114.7	N225 E226	N225-G228 PolarHBondContact O-N 2.8Å; N225-G228 PolarHBondContact OD1-N 2.81Å; E226-G228 VanDerWaalsContact C-N 3.34Å
229	Q	92.8	Very high	89.9	Confident	16 Å²	16	34.6 Å²	34.6	8%	0.075	18%	0.184	C	C	.	.			trans	-85.3	149.9	171.8	-63.5	168.5	-45.8	0	0	110.1	D129 L224 N225 S227 A231	D129-Q229 PolarHBondContact OD1-NE2 3.21Å; L224-Q229 WeakPolarHBondContact CA-O 3.27Å; N225-Q229 PolarHBondContact N-O 3.48Å; N225-Q229 PolarHBondContact ND2-OE1 3.49Å; N225-Q229 PolarHBondContact OD1-N 3.39Å; N225-Q229 PolarHBondContact OD1-O 2.86Å; S227-Q229 WeakPolarHBondContact OG-CG 3.34Å; S227-Q229 PolarHBondContact OG-OE1 3.36Å; Q229-A231 PolarHBondContact O-N 3.47Å
230	V	93.8	Very high	90.8	Very high	4 Å²	4	34 Å²	34	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.3	176.6	175.2	0	0	0	0	110.3	V139 L222 L224 N287 L329	V139-V230 HydrophobicContact CG1-CG2 3.91Å; V139-V230 HydrophobicContact CG2-CG1 4.44Å; V139-V230 HydrophobicContact CG2-CG2 3.76Å; L222-V230 HydrophobicContact CD2-CG1 4.13Å; L224-V230 HydrophobicContact CD2-CG2 3.9Å; V230-N287 PolarHBondContact O-OD1 3.12Å; V230-L329 HydrophobicContact CG1-CD2 3.96Å
231	A	94.8	Very high	91.3	Very high	2 Å²	2	40.5 Å²	40.5	2%	0.017	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	171.2	-179.2	0	0	0	0	0	110.7	T223 N225 Q229 C285 V286 N287	T223-A231 HydrophobicContact CG2-CB 4.09Å; T223-A231 PolarHBondContact N-O 2.94Å; T223-A231 PolarHBondContact O-N 2.7Å; T223-A231 VanDerWaalsContact O-O 3.14Å; N225-A231 HydrophobicContact CB-CB 4.32Å; Q229-A231 PolarHBondContact O-N 3.47Å; A231-C285 WeakPolarHBondContact CB-SG 3.47Å; A231-V286 WeakPolarHBondContact CA-O 3.34Å; A231-V286 WeakPolarHBondContact CB-O 3.39Å; A231-N287 HydrophobicContact CB-CB 4.27Å
232	V	94.6	Very high	91.3	Very high	6 Å²	6	43.9 Å²	43.9	4%	0.036	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125	-179.9	180	0	0	0	0	109.5	L222 V286 V331 A333	L222-V232 HydrophobicContact CD2-CG2 4.24Å; V232-V286 HydrophobicContact CB-CB 4.43Å; V232-V286 PolarHBondContact N-O 2.99Å; V232-V286 PolarHBondContact O-N 3.09Å; V232-V331 HydrophobicContact CB-CG1 4.33Å; V232-V331 HydrophobicContact CG2-CB 3.97Å; V232-V331 HydrophobicContact CG2-CG1 4.16Å; V232-A333 HydrophobicContact CG1-CB 4.12Å
233	R	95.1	Very high	90.9	Very high	36 Å²	36	44.5 Å²	44.5	14%	0.136	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-80	128.1	166	-174.2	-179.9	-71.4	158.1	6.3	108.7	T48 D50 S221 T223 P281	T48-R233 VanDerWaalsContact CB-NH1 3.31Å; T48-R233 HydrophobicContact CG2-CB 3.93Å; T48-R233 VanDerWaalsContact CG2-NH1 3.34Å; D50-R233 IonicContact OD1-CZ 3.06Å; D50-R233 IonicContact OD1-NH1 3.15Å; D50-R233 PolarHBondContact OD1-NH1 2.92Å; D50-R233 IonicContact OD1-NH2 3.36Å; D50-R233 PolarHBondContact OD1-NH2 2.97Å; D50-R233 VanDerWaalsContact OD1-NH2 3.15Å; D50-R233 IonicContact OD2-CZ 2.71Å; D50-R233 IonicContact OD2-NH1 2.76Å; D50-R233 IonicContact OD2-NH2 3.62Å; D50-R233 PolarHBondContact OD2-NH2 3.06Å; S221-R233 WeakPolarHBondContact CB-O 3.42Å; S221-R233 WeakPolarHBondContact O-CB 3.35Å; S221-R233 PolarHBondContact O-N 2.8Å; T223-R233 HydrophobicContact CG2-CB 4.25Å; R233-P281 VanDerWaalsContact CG-O 3.27Å; R233-P281 WeakPolarHBondContact CG-O 3.22Å
234	P	95.5	Very high	90.7	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-59.5	143.9	173.2	-23.4	34	0	0	0	112	P281 L284 V286 A333 V335 L340	P234-P281 WeakPolarHBondContact O-CB 3.16Å; P234-L284 WeakPolarHBondContact CD-O 3.49Å; P234-L284 HydrophobicContact CG-CB 3.83Å; P234-L284 HydrophobicContact CG-CD1 4.41Å; P234-V286 HydrophobicContact CG-CG2 4.25Å; P234-A333 WeakPolarHBondContact CA-O 3.23Å; P234-A333 HydrophobicContact CB-CB 4.14Å; P234-A333 HydrophobicContact CG-CB 4.15Å; P234-V335 HydrophobicContact CB-CG2 3.85Å; P234-L340 HydrophobicContact CB-CD1 4.31Å; P234-L340 HydrophobicContact CG-CD1 3.44Å; P234-L340 VanDerWaalsContact CG-CD1 3.44Å; P234-L340 HydrophobicContact CG-CG 4.09Å
235	K	92.8	Very high	90.3	Very high	15 Å²	15	50.7 Å²	50.7	7%	0.065	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-70.6	143.5	172.7	-65.9	174.5	-176.7	154.3	0	111.4	N219 Q239 I240 V243 A333 Q334 V335	N219-K235 WeakPolarHBondContact O-CE 3.14Å; N219-K235 PolarHBondContact O-NZ 3Å; K235-Q239 HydrophobicContact CB-CB 3.99Å; K235-Q239 HydrophobicContact CG-CB 4.29Å; K235-I240 HydrophobicContact CB-CG1 3.84Å; K235-V243 HydrophobicContact CD-CG2 3.69Å; K235-A333 PolarHBondContact N-O 2.96Å; K235-Q334 HydrophobicContact CB-CG 4.22Å; K235-Q334 HydrophobicContact CD-CG 4.3Å; K235-V335 PolarHBondContact O-N 2.83Å
236	S	89.8	Confident	90	Very high	30 Å²	30	54.5 Å²	54.5	21%	0.21	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-77.2	161.2	167.5	64.5	0	0	0	0	112.4	N238 Q239 I240	S236-N238 PolarHBondContact O-N 3.25Å; S236-Q239 PolarHBondContact O-N 3.46Å; S236-Q239 PolarHBondContact OG-N 2.85Å; S236-Q239 PolarHBondContact OG-OE1 2.78Å; S236-Q239 VanDerWaalsContact OG-OE1 3.11Å; S236-I240 VanDerWaalsContact O-CG1 3.31Å; S236-I240 WeakPolarHBondContact O-CG1 3.47Å; S236-I240 PolarHBondContact O-N 3.39Å
237	D	89.3	Confident	89.9	Confident	91 Å²	91	52.4 Å²	52.4	49%	0.487	31%	0.31	S	S	.	.	H	α-helix	trans	-48.6	-37.1	174	-73.6	-15.4	0	0	0	113.4	K241	D237-K241 WeakPolarHBondContact O-CG 3.33Å; D237-K241 PolarHBondContact O-N 2.75Å
238	N	87.4	Confident	90	Very high	118 Å²	118	51.7 Å²	51.7	63%	0.631	31%	0.307	S	S	*	.	H	α-helix	trans	-71.7	-37.4	179.4	-72.9	-23.2	0	0	0	112.4	S236 K241	S236-N238 PolarHBondContact O-N 3.25Å; N238-K241 PolarHBondContact OD1-NZ 2.68Å
239	Q	88.9	Confident	90.1	Very high	80 Å²	80	52 Å²	52	37%	0.374	31%	0.306	S	S	.	.	H	α-helix	trans	-72.2	-36.1	175.6	-71.2	167.4	-44.2	0	0	111.5	K235 S236 K241 A242	K235-Q239 HydrophobicContact CB-CB 3.99Å; K235-Q239 HydrophobicContact CG-CB 4.29Å; S236-Q239 PolarHBondContact O-N 3.46Å; S236-Q239 PolarHBondContact OG-N 2.85Å; S236-Q239 PolarHBondContact OG-OE1 2.78Å; S236-Q239 VanDerWaalsContact OG-OE1 3.11Å; Q239-K241 VanDerWaalsContact C-N 3.25Å; Q239-K241 PolarHBondContact O-N 2.88Å; Q239-A242 PolarHBondContact O-N 3.3Å; Q239-A242 VanDerWaalsContact O-N 3.08Å
240	I	88.6	Confident	90.1	Very high	31 Å²	31	55.9 Å²	55.9	16%	0.159	33%	0.331	C	S	.	.	H	α-helix	trans	-60.3	-36.3	178	-65.3	166.4	0	0	0	111.2	K235 S236 A242 V243 Q334 V335	K235-I240 HydrophobicContact CB-CG1 3.84Å; S236-I240 VanDerWaalsContact O-CG1 3.31Å; S236-I240 WeakPolarHBondContact O-CG1 3.47Å; S236-I240 PolarHBondContact O-N 3.39Å; I240-A242 PolarHBondContact O-N 3.12Å; I240-A242 VanDerWaalsContact O-N 3.15Å; I240-V243 WeakPolarHBondContact O-CB 3.49Å; I240-V243 PolarHBondContact O-N 2.96Å; I240-Q334 HydrophobicContact CD1-CB 3.76Å; I240-Q334 HydrophobicContact CD1-CG 4.29Å; I240-Q334 HydrophobicContact CG1-CB 4.17Å; I240-Q334 HydrophobicContact CG1-CG 4.13Å; I240-V335 VanDerWaalsContact CD1-O 3.25Å; I240-V335 WeakPolarHBondContact CD1-O 3.24Å
241	K	88.3	Confident	90	Very high	162 Å²	162	57.4 Å²	57.4	70%	0.704	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.6	176.4	-69.6	166.9	-169.8	166.1	0	113.9	D237 N238 Q239	D237-K241 WeakPolarHBondContact O-CG 3.33Å; D237-K241 PolarHBondContact O-N 2.75Å; N238-K241 PolarHBondContact OD1-NZ 2.68Å; Q239-K241 VanDerWaalsContact C-N 3.25Å; Q239-K241 PolarHBondContact O-N 2.88Å
242	A	86.8	Confident	90	Very high	83 Å²	83	63 Å²	63	69%	0.686	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-12.2	176.7	0	0	0	0	0	113	Q239 I240	Q239-A242 PolarHBondContact O-N 3.3Å; Q239-A242 VanDerWaalsContact O-N 3.08Å; I240-A242 PolarHBondContact O-N 3.12Å; I240-A242 VanDerWaalsContact O-N 3.15Å
243	V	85.5	Confident	89.9	Confident	13 Å²	13	65.4 Å²	65.4	8%	0.079	39%	0.393	C	S	.	.	S	Bend	trans	-78.2	132.1	179.1	-178.7	0	0	0	0	109.2	K235 I240 A245 Q247	K235-V243 HydrophobicContact CD-CG2 3.69Å; I240-V243 WeakPolarHBondContact O-CB 3.49Å; I240-V243 PolarHBondContact O-N 2.96Å; V243-A245 PolarHBondContact O-N 2.68Å; V243-Q247 HydrophobicContact CG1-CB 3.66Å
244	P	88.5	Confident	89.8	Confident	63 Å²	63	67.6 Å²	67.6	41%	0.409	41%	0.41	S	S	.	.			trans	-54.3	139.6	172.2	-25.3	34.4	0	0	0	111.3	S246 Q247 A248	P244-S246 PolarHBondContact O-N 3.28Å; P244-Q247 PolarHBondContact O-N 2.97Å; P244-A248 PolarHBondContact O-N 2.81Å
245	A	86.7	Confident	89.8	Confident	96 Å²	96	73.3 Å²	73.3	79%	0.793	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.7	-176.7	0	0	0	0	0	113.8	V243 Q247	V243-A245 PolarHBondContact O-N 2.68Å; A245-Q247 PolarHBondContact O-N 2.99Å
246	S	85.1	Confident	89.9	Confident	113 Å²	113	73.1 Å²	73.1	79%	0.79	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-15.2	175	54.4	0	0	0	0	114.7	P244	P244-S246 PolarHBondContact O-N 3.28Å
247	Q	84.8	Confident	90.1	Very high	83 Å²	83	74.3 Å²	74.3	39%	0.388	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-6.2	180	-63.1	-178.5	-4.1	0	0	112.9	N219 V243 P244 A245 Q334	N219-Q247 PolarHBondContact ND2-OE1 3.36Å; V243-Q247 HydrophobicContact CG1-CB 3.66Å; P244-Q247 PolarHBondContact O-N 2.97Å; A245-Q247 PolarHBondContact O-N 2.99Å; Q247-Q334 PolarHBondContact O-NE2 2.77Å
248	A	89.7	Confident	90.4	Very high	33 Å²	33	71.2 Å²	71.2	27%	0.273	43%	0.428	S	S	.	.			trans	-69.3	135.4	175.8	0	0	0	0	0	110.1	P244	P244-A248 PolarHBondContact O-N 2.81Å
249	L	93.3	Very high	90.6	Very high	16 Å²	16	70.2 Å²	70.2	8%	0.084	42%	0.416	C	S	.	.			trans	-85.8	144.1	178	-59.3	-175.5	0	0	0	109.5	S332 Q334 V341 E343	L249-S332 WeakPolarHBondContact CD1-O 3.46Å; L249-Q334 HydrophobicContact CB-CB 4.38Å; L249-Q334 HydrophobicContact CB-CG 4.27Å; L249-Q334 HydrophobicContact CD1-CB 4.4Å; L249-Q334 HydrophobicContact CD1-CG 4.08Å; L249-Q334 HydrophobicContact CG-CG 4.1Å; L249-V341 HydrophobicContact CB-CB 4.27Å; L249-V341 HydrophobicContact CB-CG1 3.93Å; L249-V341 HydrophobicContact CD1-CG1 4.31Å; L249-V341 WeakPolarHBondContact CD1-O 3.46Å; L249-E343 HydrophobicContact CD2-CB 3.93Å; L249-E343 HydrophobicContact CD2-CG 3.81Å
250	V	91.8	Very high	90.7	Very high	99 Å²	99	66.8 Å²	66.8	60%	0.6	40%	0.401	S	S	*	.			trans	-118.9	125.6	-179	-178.7	0	0	0	0	108.8	K252 H270	V250-K252 PolarHBondContact O-N 2.91Å; V250-H270 PolarHBondContact O-CE1 3.46Å
251	A	93.2	Very high	90.7	Very high	36 Å²	36	70.3 Å²	70.3	30%	0.298	42%	0.42	S	S	.	.			trans	-67.9	124.8	169.2	0	0	0	0	0	109.4	V341	A251-V341 HydrophobicContact CB-CG2 3.82Å
252	K	93.2	Very high	90.4	Very high	120 Å²	120	65.3 Å²	65.3	52%	0.522	40%	0.401	S	S	.	.			trans	-94.3	-10.6	178.9	-54.1	-173.3	-178.9	-162.1	0	112.2	V250 V260 E272	V250-K252 PolarHBondContact O-N 2.91Å; K252-V260 HydrophobicContact CD-CG1 4.39Å; K252-E272 VanDerWaalsContact CA-OE1 3.26Å; K252-E272 WeakPolarHBondContact CA-OE1 3.42Å; K252-E272 WeakPolarHBondContact CB-OE1 3.33Å; K252-E272 PolarHBondContact N-OE1 3.35Å
253	G	93.6	Very high	90.1	Very high	55 Å²	55	64.9 Å²	64.9	57%	0.567	40%	0.404	S	S	*	.	S	Bend	trans	81.3	16.8	-178.7	0	0	0	0	0	113.2	E272	G253-E272 WeakPolarHBondContact CA-OE2 3.43Å; G253-E272 PolarHBondContact N-OE1 3.27Å; G253-E272 PolarHBondContact N-OE2 2.97Å; G253-E272 VanDerWaalsContact N-OE2 3.1Å
254	V	93.1	Very high	89.9	Confident	82 Å²	82	69 Å²	69	50%	0.497	43%	0.434	S	S	.	.			trans	-109.1	94.1	177.7	-176.8	0	0	0	0	108.6	E272	V254-E272 PolarHBondContact N-OE1 2.9Å
255	H	94.6	Very high	89.3	Confident	121 Å²	121	69 Å²	69	56%	0.56	45%	0.445	S	S	*	.			trans	-64.7	139.4	-179.7	-58.5	-42.7	0	0	0	112.4
256	G	95.5	Very high	88.9	Confident	11 Å²	11	64.6 Å²	64.6	11%	0.113	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92.3	-163.1	-176.9	0	0	0	0	0	113.4	V271 E272	G256-V271 WeakPolarHBondContact O-CA 3.48Å; G256-E272 PolarHBondContact N-O 2.76Å; G256-E272 PolarHBondContact O-N 3.13Å
257	L	94.8	Very high	89	Confident	54 Å²	54	65.6 Å²	65.6	28%	0.283	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	130.5	-174.8	172.8	61.7	0	0	0	111.8	L269 V271 Y320 A321 I322	L257-L269 HydrophobicContact CD1-CD1 3.24Å; L257-L269 HydrophobicContact CD1-CG 3.75Å; L257-L269 HydrophobicContact CG-CD1 4.49Å; L257-V271 HydrophobicContact CB-CG2 4.37Å; L257-V271 HydrophobicContact CD1-CG2 3.68Å; L257-Y320 HydrophobicContact CB-CD1 3.89Å; L257-Y320 HydrophobicContact CB-CG 4.25Å; L257-A321 WeakPolarHBondContact CD2-O 3.18Å; L257-I322 HydrophobicContact CD2-CG2 4.24Å
258	S	94.9	Very high	89.2	Confident	27 Å²	27	65.4 Å²	65.4	19%	0.189	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	179.8	171	69.6	0	0	0	0	110.8	H270	S258-H270 CarbonylContact C-O 3.57Å; S258-H270 PolarHBondContact N-O 3.41Å; S258-H270 PolarHBondContact O-N 2.61Å; S258-H270 VanDerWaalsContact O-O 3.08Å; S258-H270 PolarHBondContact OG-CD2 3.29Å; S258-H270 PolarHBondContact OG-O 3.32Å
259	Y	91.9	Very high	89.4	Confident	96 Å²	96	63.8 Å²	63.8	38%	0.376	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.3	177.4	-60.4	-87	0	0	0	110.2	R268 L269 P323 L346	Y259-R268 WeakPolarHBondContact CA-O 3.34Å; Y259-L269 HydrophobicContact CE1-CD1 4.33Å; Y259-P323 HydrophobicContact CE1-CG 4.4Å; Y259-P323 WeakPolarHBondContact OH-CD 3.37Å; Y259-P323 WeakPolarHBondContact OH-CG 3.27Å; Y259-L346 HydrophobicContact CD1-CD1 4.06Å; Y259-L346 HydrophobicContact CE1-CD1 3.96Å
260	V	91.5	Very high	89.5	Confident	9 Å²	9	63 Å²	63	6%	0.055	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.3	-179	-53.2	0	0	0	0	109.4	K252 K267 R268 H270	K252-V260 HydrophobicContact CD-CG1 4.39Å; V260-K267 CarbonylContact O-C 3.57Å; V260-K267 WeakPolarHBondContact O-CA 3.49Å; V260-R268 HydrophobicContact CG2-CB 3.77Å; V260-R268 PolarHBondContact N-O 2.92Å; V260-R268 PolarHBondContact O-N 2.9Å; V260-H270 HydrophobicContact CG1-CB 3.46Å; V260-H270 VanDerWaalsContact CG1-CB 3.46Å; V260-H270 HydrophobicContact CG2-CB 4.32Å
261	D	87.4	Confident	89.7	Confident	105 Å²	105	58.3 Å²	58.3	56%	0.561	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	140.4	176.4	-160.5	-70.4	0	0	0	110.1	G263	D261-G263 WeakPolarHBondContact OD1-CA 3.44Å; D261-G263 PolarHBondContact OD1-N 2.91Å
262	D	82.9	Confident	90	Very high	57 Å²	57	56.7 Å²	56.7	31%	0.305	34%	0.336	S	S	.	.			trans	-90.6	1.7	178.7	74.5	6.8	0	0	0	114	S264 G265 G266 R268	D262-S264 PolarHBondContact O-N 3.48Å; D262-S264 VanDerWaalsContact OD1-CA 3.3Å; D262-S264 WeakPolarHBondContact OD1-CA 3.09Å; D262-S264 WeakPolarHBondContact OD1-CB 3.35Å; D262-S264 PolarHBondContact OD1-N 3.04Å; D262-S264 PolarHBondContact OD1-OG 2.75Å; D262-S264 PolarHBondContact OD2-OG 2.85Å; D262-G265 PolarHBondContact OD1-N 3.25Å; D262-G266 VanDerWaalsContact CG-CA 3.41Å; D262-G266 PolarHBondContact N-O 2.6Å; D262-G266 VanDerWaalsContact N-O 3.09Å; D262-G266 WeakPolarHBondContact OD1-CA 3.2Å; D262-G266 PolarHBondContact OD1-N 3Å; D262-G266 WeakPolarHBondContact OD2-CA 3.36Å; D262-G266 PolarHBondContact OD2-N 2.81Å; D262-R268 HydrophobicContact CB-CG 3.91Å
263	G	80.6	Confident	90.1	Very high	73 Å²	73	51 Å²	51	75%	0.753	31%	0.311	S	S	*	.	S	Bend	trans	80.9	-7.3	-177.4	0	0	0	0	0	114.1	D261	D261-G263 WeakPolarHBondContact OD1-CA 3.44Å; D261-G263 PolarHBondContact OD1-N 2.91Å
264	S	80.5	Confident	90.2	Very high	100 Å²	100	51.8 Å²	51.8	70%	0.699	31%	0.306	S	S	*	.	S	Bend	trans	-115.1	11.1	179.1	73.8	0	0	0	0	113.1	D262 G266	D262-S264 PolarHBondContact O-N 3.48Å; D262-S264 VanDerWaalsContact OD1-CA 3.3Å; D262-S264 WeakPolarHBondContact OD1-CA 3.09Å; D262-S264 WeakPolarHBondContact OD1-CB 3.35Å; D262-S264 PolarHBondContact OD1-N 3.04Å; D262-S264 PolarHBondContact OD1-OG 2.75Å; D262-S264 PolarHBondContact OD2-OG 2.85Å; S264-G266 VanDerWaalsContact C-N 3.31Å
265	G	75.5	Confident	90.3	Very high	63 Å²	63	48.4 Å²	48.4	65%	0.649	29%	0.285	S	S	*	.	S	Bend	trans	80.6	9.1	-175.6	0	0	0	0	0	113.9	D262	D262-G265 PolarHBondContact OD1-N 3.25Å
266	G	79.9	Confident	90.4	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.031	28%	0.283	C	S	.	.			trans	-94.8	-178.7	166.2	0	0	0	0	0	112.2	D262 S264	D262-G266 VanDerWaalsContact CG-CA 3.41Å; D262-G266 PolarHBondContact N-O 2.6Å; D262-G266 VanDerWaalsContact N-O 3.09Å; D262-G266 WeakPolarHBondContact OD1-CA 3.2Å; D262-G266 PolarHBondContact OD1-N 3Å; D262-G266 WeakPolarHBondContact OD2-CA 3.36Å; D262-G266 PolarHBondContact OD2-N 2.81Å; S264-G266 VanDerWaalsContact C-N 3.31Å
267	K	86	Confident	90.3	Very high	134 Å²	134	51.5 Å²	51.5	58%	0.583	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.5	179.4	-67.9	-178.7	180	179.3	0	109.5	V260 L346	V260-K267 CarbonylContact O-C 3.57Å; V260-K267 WeakPolarHBondContact O-CA 3.49Å; K267-L346 HydrophobicContact CB-CD1 4.16Å
268	R	90	Very high	90.2	Very high	79 Å²	79	50.8 Å²	50.8	30%	0.298	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.3	165.6	-71.8	179.5	-65.9	142.9	4.6	109.7	Y259 V260 D262 E343 A344	Y259-R268 WeakPolarHBondContact CA-O 3.34Å; V260-R268 HydrophobicContact CG2-CB 3.77Å; V260-R268 PolarHBondContact N-O 2.92Å; V260-R268 PolarHBondContact O-N 2.9Å; D262-R268 HydrophobicContact CB-CG 3.91Å; R268-E343 IonicContact CZ-OE2 2.81Å; R268-E343 VanDerWaalsContact CZ-OE2 3.29Å; R268-E343 IonicContact NH1-OE2 2.97Å; R268-E343 PolarHBondContact NH1-OE2 3.04Å; R268-E343 IonicContact NH2-OE2 3.34Å; R268-A344 CarbonylContact C-O 3.57Å; R268-A344 WeakPolarHBondContact CA-O 3.29Å; R268-A344 WeakPolarHBondContact CB-O 3.25Å
269	L	93.4	Very high	90.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	139	166.7	-164.5	83.1	0	0	0	109	L257 Y259 V271 V293 I322 L342 E343 A344 L346	L257-L269 HydrophobicContact CD1-CD1 3.24Å; L257-L269 HydrophobicContact CD1-CG 3.75Å; L257-L269 HydrophobicContact CG-CD1 4.49Å; Y259-L269 HydrophobicContact CE1-CD1 4.33Å; L269-V271 HydrophobicContact CD2-CG2 4.15Å; L269-V271 HydrophobicContact CG-CG2 4.25Å; L269-V293 HydrophobicContact CD2-CB 4.38Å; L269-V293 HydrophobicContact CD2-CG2 3.47Å; L269-V293 VanDerWaalsContact CD2-CG2 3.47Å; L269-I322 HydrophobicContact CD1-CB 4.27Å; L269-I322 HydrophobicContact CD1-CG2 3.4Å; L269-I322 HydrophobicContact CD2-CG2 4.1Å; L269-I322 HydrophobicContact CG-CG2 4.4Å; L269-L342 HydrophobicContact CD2-CD1 4.03Å; L269-E343 WeakPolarHBondContact O-CA 3.43Å; L269-E343 WeakPolarHBondContact O-CB 3.39Å; L269-A344 HydrophobicContact CB-CB 4.28Å; L269-A344 HydrophobicContact CD2-CB 4.49Å; L269-A344 PolarHBondContact N-O 3.15Å; L269-A344 PolarHBondContact O-N 2.89Å; L269-L346 HydrophobicContact CB-CD2 4.37Å; L269-L346 HydrophobicContact CD1-CD2 4.35Å
270	H	95.4	Very high	90.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	125.1	169.4	-178.4	95.6	0	0	0	109.7	V250 S258 V260 E272 V341 L342 E343	V250-H270 PolarHBondContact O-CE1 3.46Å; S258-H270 CarbonylContact C-O 3.57Å; S258-H270 PolarHBondContact N-O 3.41Å; S258-H270 PolarHBondContact O-N 2.61Å; S258-H270 VanDerWaalsContact O-O 3.08Å; S258-H270 PolarHBondContact OG-CD2 3.29Å; S258-H270 PolarHBondContact OG-O 3.32Å; V260-H270 HydrophobicContact CG1-CB 3.46Å; V260-H270 VanDerWaalsContact CG1-CB 3.46Å; V260-H270 HydrophobicContact CG2-CB 4.32Å; H270-E272 IonicContact NE2-OE1 2.68Å; H270-E272 PolarHBondContact NE2-OE1 3.23Å; H270-V341 VanDerWaalsContact CE1-CG1 3.43Å; H270-V341 WeakPolarHBondContact CE1-CG1 3.4Å; H270-L342 WeakPolarHBondContact CA-O 2.98Å; H270-E343 HydrophobicContact CB-CG 4.18Å; H270-E343 IonicContact CE1-OE1 3.51Å; H270-E343 IonicContact CG-OE1 2.81Å; H270-E343 WeakPolarHBondContact ND1-CG 3.36Å; H270-E343 IonicContact ND1-OE1 3.84Å; H270-E343 PolarHBondContact ND1-OE1 2.89Å
271	V	96.8	Very high	90.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.8	179.5	-174.8	0	0	0	0	109.9	G256 L257 L269 V273 Y320 V341 L342	G256-V271 WeakPolarHBondContact O-CA 3.48Å; L257-V271 HydrophobicContact CB-CG2 4.37Å; L257-V271 HydrophobicContact CD1-CG2 3.68Å; L269-V271 HydrophobicContact CD2-CG2 4.15Å; L269-V271 HydrophobicContact CG-CG2 4.25Å; V271-V273 HydrophobicContact CG1-CG2 3.94Å; V271-Y320 HydrophobicContact CG1-CD2 3.66Å; V271-Y320 HydrophobicContact CG1-CE1 4.36Å; V271-Y320 HydrophobicContact CG1-CE2 3.37Å; V271-Y320 HydrophobicContact CG1-CG 4.25Å; V271-V341 WeakPolarHBondContact O-CA 3.39Å; V271-L342 HydrophobicContact CB-CD1 3.82Å; V271-L342 HydrophobicContact CB-CD2 4Å; V271-L342 HydrophobicContact CB-CG 3.74Å; V271-L342 HydrophobicContact CG1-CD2 4.48Å; V271-L342 HydrophobicContact CG2-CD1 3.78Å; V271-L342 HydrophobicContact CG2-CG 4.28Å; V271-L342 PolarHBondContact N-O 2.76Å; V271-L342 PolarHBondContact O-N 2.87Å
272	E	97.7	Very high	90.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.5	170.7	-67.9	-176.3	-136.1	0	0	110.7	K252 G253 V254 G256 H270 T339 L340 V341	K252-E272 VanDerWaalsContact CA-OE1 3.26Å; K252-E272 WeakPolarHBondContact CA-OE1 3.42Å; K252-E272 WeakPolarHBondContact CB-OE1 3.33Å; K252-E272 PolarHBondContact N-OE1 3.35Å; G253-E272 WeakPolarHBondContact CA-OE2 3.43Å; G253-E272 PolarHBondContact N-OE1 3.27Å; G253-E272 PolarHBondContact N-OE2 2.97Å; G253-E272 VanDerWaalsContact N-OE2 3.1Å; V254-E272 PolarHBondContact N-OE1 2.9Å; G256-E272 PolarHBondContact N-O 2.76Å; G256-E272 PolarHBondContact O-N 3.13Å; H270-E272 IonicContact NE2-OE1 2.68Å; H270-E272 PolarHBondContact NE2-OE1 3.23Å; E272-T339 HydrophobicContact CB-CG2 3.84Å; E272-T339 HydrophobicContact CG-CG2 4.17Å; E272-L340 CarbonylContact C-O 3.55Å; E272-L340 WeakPolarHBondContact CA-O 2.73Å; E272-V341 HydrophobicContact CG-CG1 4.48Å; E272-V341 HydrophobicContact CG-CG2 4.36Å
273	V	96.9	Very high	91.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.3	178.1	-173.9	0	0	0	0	108.9	V271 V275 V295 F316 Y320 T339 L340	V271-V273 HydrophobicContact CG1-CG2 3.94Å; V273-V275 WeakPolarHBondContact O-CG2 3.38Å; V273-V275 PolarHBondContact O-N 2.89Å; V273-V295 HydrophobicContact CG2-CB 4.28Å; V273-V295 HydrophobicContact CG2-CG1 4.33Å; V273-V295 HydrophobicContact CG2-CG2 3.97Å; V273-F316 HydrophobicContact CG1-CE2 4.41Å; V273-Y320 HydrophobicContact CG2-CE2 3.93Å; V273-T339 WeakPolarHBondContact O-CA 3.1Å; V273-L340 HydrophobicContact CB-CB 4.39Å; V273-L340 PolarHBondContact N-O 2.95Å; V273-L340 PolarHBondContact O-N 3.35Å
274	P	96.1	Very high	92	Very high	72 Å²	72	47.9 Å²	47.9	47%	0.468	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	127.1	167	-21.2	32.8	0	0	0	110
275	V	95.2	Very high	92.8	Very high	11 Å²	11	44 Å²	44	7%	0.067	24%	0.241	C	C	.	.			trans	-116.6	129.7	-179.4	179.9	0	0	0	0	109.1	V273 Y279 L284 F316 N338 L340	V273-V275 WeakPolarHBondContact O-CG2 3.38Å; V273-V275 PolarHBondContact O-N 2.89Å; V275-Y279 HydrophobicContact CG1-CD2 3.99Å; V275-Y279 HydrophobicContact CG1-CG 4.18Å; V275-L284 HydrophobicContact CG1-CD1 4.09Å; V275-L284 HydrophobicContact CG1-CD2 4.07Å; V275-L284 HydrophobicContact CG2-CD1 4.33Å; V275-F316 HydrophobicContact CG2-CZ 4.33Å; V275-N338 PolarHBondContact N-O 2.71Å; V275-L340 HydrophobicContact CG2-CB 3.74Å
276	D	95.1	Very high	93.8	Very high	97 Å²	97	41 Å²	41	52%	0.519	21%	0.211	S	C	.	.			trans	-57.9	134.1	174.1	-174.5	-69.1	0	0	0	109.8	V278 Y279	D276-V278 HydrophobicContact CB-CG1 4.15Å; D276-V278 PolarHBondContact O-N 2.88Å; D276-V278 VanDerWaalsContact OD1-CB 3.26Å; D276-V278 WeakPolarHBondContact OD1-CB 3.37Å; D276-V278 WeakPolarHBondContact OD1-CG1 3.34Å; D276-V278 PolarHBondContact OD1-N 3.01Å; D276-Y279 HydrophobicContact CB-CD2 3.93Å; D276-Y279 HydrophobicContact CB-CE2 4.03Å; D276-Y279 PolarHBondContact O-N 3Å
277	P	93.6	Very high	94.4	Very high	101 Å²	101	41.4 Å²	41.4	66%	0.656	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-16.7	-178.7	-17.2	20.3	0	0	0	115.5	Y279 N338	P277-Y279 VanDerWaalsContact C-N 3.27Å; P277-Y279 PolarHBondContact O-N 3.36Å; P277-N338 VanDerWaalsContact CG-ND2 3.31Å; P277-N338 WeakPolarHBondContact CG-ND2 3.3Å
278	V	93.7	Very high	94.7	Very high	38 Å²	38	35.3 Å²	35.3	23%	0.23	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-30.3	174.9	77.1	0	0	0	0	112.9	D276 H299	D276-V278 HydrophobicContact CB-CG1 4.15Å; D276-V278 PolarHBondContact O-N 2.88Å; D276-V278 VanDerWaalsContact OD1-CB 3.26Å; D276-V278 WeakPolarHBondContact OD1-CB 3.37Å; D276-V278 WeakPolarHBondContact OD1-CG1 3.34Å; D276-V278 PolarHBondContact OD1-N 3.01Å; V278-H299 PolarHBondContact O-CE1 2.91Å; V278-H299 PolarHBondContact O-ND1 3.39Å
279	Y	95.5	Very high	94.6	Very high	29 Å²	29	34.1 Å²	34.1	11%	0.114	19%	0.186	C	C	.	.			trans	-84.9	124.2	180	-61.2	-81.8	0	0	0	109.9	V275 D276 P277 D283 L284 H299 A314 E315 F316	V275-Y279 HydrophobicContact CG1-CD2 3.99Å; V275-Y279 HydrophobicContact CG1-CG 4.18Å; D276-Y279 HydrophobicContact CB-CD2 3.93Å; D276-Y279 HydrophobicContact CB-CE2 4.03Å; D276-Y279 PolarHBondContact O-N 3Å; P277-Y279 VanDerWaalsContact C-N 3.27Å; P277-Y279 PolarHBondContact O-N 3.36Å; Y279-D283 HydrophobicContact CD1-CB 4.09Å; Y279-L284 HydrophobicContact CD1-CD2 4.47Å; Y279-L284 HydrophobicContact CG-CD2 4.27Å; Y279-H299 HydrophobicContact CD1-CB 3.75Å; Y279-H299 HydrophobicContact CE1-CB 3.85Å; Y279-A314 HydrophobicContact CE1-CB 4.48Å; Y279-A314 VanDerWaalsContact OH-C 3.25Å; Y279-A314 WeakPolarHBondContact OH-CB 3.29Å; Y279-E315 WeakPolarHBondContact OH-CA 3.48Å; Y279-E315 PolarHBondContact OH-N 2.78Å; Y279-E315 VanDerWaalsContact OH-N 3.14Å; Y279-F316 HydrophobicContact CD1-CD1 4.38Å; Y279-F316 HydrophobicContact CD1-CE1 4.14Å; Y279-F316 HydrophobicContact CD2-CD1 4.11Å; Y279-F316 AromaticContact CD2-CE1 3.87Å; Y279-F316 HydrophobicContact CD2-CE1 3.87Å; Y279-F316 AromaticContact CE1-CD1 3.91Å; Y279-F316 HydrophobicContact CE1-CD1 3.91Å; Y279-F316 HydrophobicContact CE1-CE1 4.14Å; Y279-F316 AromaticContact CE2-CD1 3.61Å; Y279-F316 HydrophobicContact CE2-CD1 3.61Å; Y279-F316 AromaticContact CE2-CE1 3.87Å; Y279-F316 HydrophobicContact CE2-CE1 3.87Å; Y279-F316 HydrophobicContact CG-CD1 4.48Å; Y279-F316 HydrophobicContact CG-CE1 4.02Å; Y279-F316 AromaticContact CZ-CD1 3.5Å
280	K	93.8	Very high	94	Very high	113 Å²	113	35.2 Å²	35.2	49%	0.491	19%	0.193	S	C	.	.			trans	-91.2	163.1	170.1	-58.4	-179.7	-178.8	178.4	0	110	E282 D283 L284	K280-E282 HydrophobicContact CB-CG 4.1Å; K280-E282 VanDerWaalsContact CB-OE2 3.26Å; K280-E282 WeakPolarHBondContact CB-OE2 3.42Å; K280-E282 WeakPolarHBondContact CD-OE1 3.46Å; K280-E282 IonicContact NZ-OE1 2.93Å; K280-E282 PolarHBondContact O-N 3.41Å; K280-E282 VanDerWaalsContact O-N 3.14Å; K280-D283 PolarHBondContact N-OD2 3.35Å; K280-D283 WeakPolarHBondContact O-CA 2.94Å; K280-D283 WeakPolarHBondContact O-CB 3.46Å; K280-D283 PolarHBondContact O-N 2.98Å; K280-L284 WeakPolarHBondContact O-CG 3.49Å
281	P	94	Very high	93.5	Very high	23 Å²	23	39.3 Å²	39.3	15%	0.149	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-52.9	-34.8	177	-27.5	36.4	0	0	0	113.9	R233 P234 D283 L284 V335	R233-P281 VanDerWaalsContact CG-O 3.27Å; R233-P281 WeakPolarHBondContact CG-O 3.22Å; P234-P281 WeakPolarHBondContact O-CB 3.16Å; P281-D283 VanDerWaalsContact C-N 3.26Å; P281-D283 PolarHBondContact O-N 3.19Å; P281-L284 PolarHBondContact O-N 3.2Å; P281-L284 VanDerWaalsContact O-N 3.15Å; P281-V335 HydrophobicContact CB-CG2 4.43Å; P281-V335 HydrophobicContact CG-CB 4.37Å; P281-V335 HydrophobicContact CG-CG2 4.09Å
282	E	92.8	Very high	93.3	Very high	103 Å²	103	44.4 Å²	44.4	48%	0.481	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-66.2	-22	173.9	61.5	-94.3	-147.6	0	0	115	K280 L284	K280-E282 HydrophobicContact CB-CG 4.1Å; K280-E282 VanDerWaalsContact CB-OE2 3.26Å; K280-E282 WeakPolarHBondContact CB-OE2 3.42Å; K280-E282 WeakPolarHBondContact CD-OE1 3.46Å; K280-E282 IonicContact NZ-OE1 2.93Å; K280-E282 PolarHBondContact O-N 3.41Å; K280-E282 VanDerWaalsContact O-N 3.14Å; E282-L284 VanDerWaalsContact C-N 3.32Å
283	D	94.6	Very high	93.1	Very high	35 Å²	35	44.3 Å²	44.3	19%	0.187	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-83.7	-10	175.1	-58.5	-50.2	0	0	0	112	Y279 K280 P281 G297 R298 H299	Y279-D283 HydrophobicContact CD1-CB 4.09Å; K280-D283 PolarHBondContact N-OD2 3.35Å; K280-D283 WeakPolarHBondContact O-CA 2.94Å; K280-D283 WeakPolarHBondContact O-CB 3.46Å; K280-D283 PolarHBondContact O-N 2.98Å; P281-D283 VanDerWaalsContact C-N 3.26Å; P281-D283 PolarHBondContact O-N 3.19Å; D283-G297 CarbonylContact O-C 3.58Å; D283-G297 WeakPolarHBondContact O-CA 3.33Å; D283-R298 PolarHBondContact O-N 3.34Å; D283-H299 HydrophobicContact CB-CB 4.41Å; D283-H299 IonicContact OD1-ND1 3.5Å; D283-H299 PolarHBondContact OD1-ND1 3.17Å; D283-H299 IonicContact OD2-CE1 3.83Å; D283-H299 IonicContact OD2-CG 3.65Å; D283-H299 IonicContact OD2-ND1 2.8Å; D283-H299 PolarHBondContact OD2-ND1 2.84Å
284	L	96.2	Very high	93.1	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	147.9	-170.7	-59.4	175.3	0	0	0	112.5	P234 V275 Y279 K280 P281 E282 S296 F316 V335 L340	P234-L284 WeakPolarHBondContact CD-O 3.49Å; P234-L284 HydrophobicContact CG-CB 3.83Å; P234-L284 HydrophobicContact CG-CD1 4.41Å; V275-L284 HydrophobicContact CG1-CD1 4.09Å; V275-L284 HydrophobicContact CG1-CD2 4.07Å; V275-L284 HydrophobicContact CG2-CD1 4.33Å; Y279-L284 HydrophobicContact CD1-CD2 4.47Å; Y279-L284 HydrophobicContact CG-CD2 4.27Å; K280-L284 WeakPolarHBondContact O-CG 3.49Å; P281-L284 PolarHBondContact O-N 3.2Å; P281-L284 VanDerWaalsContact O-N 3.15Å; E282-L284 VanDerWaalsContact C-N 3.32Å; L284-S296 WeakPolarHBondContact CA-O 3.5Å; L284-F316 HydrophobicContact CD2-CE1 3.66Å; L284-F316 HydrophobicContact CD2-CZ 3.7Å; L284-V335 HydrophobicContact CD1-CG2 3.76Å; L284-L340 HydrophobicContact CB-CD1 4.4Å; L284-L340 HydrophobicContact CD1-CD1 3.99Å
285	C	95.8	Very high	93.1	Very high	17 Å²	17	42.1 Å²	42.1	12%	0.115	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	131.6	-179.2	177.3	0	0	0	0	110.2	A231 S296	A231-C285 WeakPolarHBondContact CB-SG 3.47Å; C285-S296 PolarHBondContact N-O 3.21Å; C285-S296 PolarHBondContact O-N 3.28Å; C285-S296 PolarHBondContact O-OG 2.92Å
286	V	96.4	Very high	93.2	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.1	172.8	-179.4	0	0	0	0	108.7	A231 V232 P234 V293 V294 V295 V331 A333 L340 L342	A231-V286 WeakPolarHBondContact CA-O 3.34Å; A231-V286 WeakPolarHBondContact CB-O 3.39Å; V232-V286 HydrophobicContact CB-CB 4.43Å; V232-V286 PolarHBondContact N-O 2.99Å; V232-V286 PolarHBondContact O-N 3.09Å; P234-V286 HydrophobicContact CG-CG2 4.25Å; V286-V293 HydrophobicContact CG1-CG1 3.89Å; V286-V294 WeakPolarHBondContact CA-O 2.97Å; V286-V295 HydrophobicContact CG2-CG2 4.37Å; V286-V331 HydrophobicContact CG1-CG1 3.79Å; V286-A333 HydrophobicContact CG2-CB 3.87Å; V286-L340 HydrophobicContact CG2-CD1 4.17Å; V286-L340 HydrophobicContact CG2-CD2 4.17Å; V286-L342 HydrophobicContact CG1-CD2 3.73Å; V286-L342 HydrophobicContact CG2-CD2 4.1Å
287	N	94.5	Very high	93.2	Very high	11 Å²	11	38.6 Å²	38.6	6%	0.059	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.3	179.8	-176.8	47.9	0	0	0	110.7	N225 V230 A231 V293 V294	N225-N287 PolarHBondContact ND2-ND2 2.83Å; V230-N287 PolarHBondContact O-OD1 3.12Å; A231-N287 HydrophobicContact CB-CB 4.27Å; N287-V293 WeakPolarHBondContact O-CA 3.47Å; N287-V294 PolarHBondContact N-O 2.98Å; N287-V294 PolarHBondContact O-N 3.35Å
288	V	92.2	Very high	93.3	Very high	5 Å²	5	39 Å²	39	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.5	167	-176.8	0	0	0	0	107.4	R292 V293 V326 P328 V331	V288-R292 WeakPolarHBondContact CA-O 3.29Å; V288-V293 HydrophobicContact CG2-CG2 4.38Å; V288-V326 HydrophobicContact CG1-CB 4.15Å; V288-V326 HydrophobicContact CG2-CB 4.33Å; V288-V326 HydrophobicContact CG2-CG1 3.96Å; V288-P328 HydrophobicContact CB-CB 4.45Å; V288-P328 HydrophobicContact CB-CG 4.13Å; V288-P328 HydrophobicContact CG2-CB 4.48Å; V288-V331 HydrophobicContact CG2-CG2 3.65Å
289	D	88	Confident	93.3	Very high	55 Å²	55	38.9 Å²	38.9	29%	0.294	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	105.7	176	179.3	10.1	0	0	0	108.4	K128 N291 R292 V294	K128-D289 WeakPolarHBondContact CD-OD1 3.36Å; K128-D289 IonicContact NZ-OD1 3.44Å; D289-N291 PolarHBondContact O-N 3.01Å; D289-R292 PolarHBondContact N-O 2.79Å; D289-R292 WeakPolarHBondContact O-CA 3.45Å; D289-R292 WeakPolarHBondContact O-CB 3.28Å; D289-R292 PolarHBondContact O-N 3.31Å; D289-V294 HydrophobicContact CB-CG2 4.37Å
290	S	80.9	Confident	93.2	Very high	23 Å²	23	42 Å²	42	16%	0.161	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	-119.6	176.6	-35.7	0	0	0	0	111.7	D125 K128 R292	D125-S290 WeakPolarHBondContact OD1-CA 3.21Å; D125-S290 WeakPolarHBondContact OD1-CB 3.47Å; D125-S290 PolarHBondContact OD1-OG 3.07Å; D125-S290 PolarHBondContact OD2-OG 3.3Å; K128-S290 PolarHBondContact NZ-OG 2.91Å; S290-R292 VanDerWaalsContact C-N 3.31Å
291	N	84.7	Confident	92.9	Very high	86 Å²	86	40.7 Å²	40.7	46%	0.46	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	32.1	173.3	64.6	-10	0	0	0	111.6	D289 A321 I322	D289-N291 PolarHBondContact O-N 3.01Å; N291-A321 CarbonylContact O-C 3.5Å; N291-A321 WeakPolarHBondContact O-CA 3.38Å; N291-I322 VanDerWaalsContact O-CG1 3.22Å; N291-I322 WeakPolarHBondContact O-CG1 3.25Å; N291-I322 PolarHBondContact O-N 3.48Å
292	R	91.7	Very high	92.6	Very high	106 Å²	106	47 Å²	47	40%	0.4	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.5	178.3	-59.2	177.5	-178.1	-88.4	-4.7	111.8	V288 D289 S290 V294 Y320	V288-R292 WeakPolarHBondContact CA-O 3.29Å; D289-R292 PolarHBondContact N-O 2.79Å; D289-R292 WeakPolarHBondContact O-CA 3.45Å; D289-R292 WeakPolarHBondContact O-CB 3.28Å; D289-R292 PolarHBondContact O-N 3.31Å; S290-R292 VanDerWaalsContact C-N 3.31Å; R292-V294 HydrophobicContact CB-CG2 4.44Å; R292-Y320 CarbonylContact C-O 3.53Å; R292-Y320 WeakPolarHBondContact CA-O 3.44Å
293	V	94.2	Very high	92.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.1	158.8	179.1	0	0	0	0	108.1	L269 V286 N287 V288 S319 Y320 I322 L342	L269-V293 HydrophobicContact CD2-CB 4.38Å; L269-V293 HydrophobicContact CD2-CG2 3.47Å; L269-V293 VanDerWaalsContact CD2-CG2 3.47Å; V286-V293 HydrophobicContact CG1-CG1 3.89Å; N287-V293 WeakPolarHBondContact O-CA 3.47Å; V288-V293 HydrophobicContact CG2-CG2 4.38Å; V293-S319 CarbonylContact O-C 3.57Å; V293-S319 WeakPolarHBondContact O-CA 3.3Å; V293-Y320 PolarHBondContact N-O 3.44Å; V293-Y320 PolarHBondContact O-N 2.84Å; V293-I322 HydrophobicContact CG2-CD1 4.07Å; V293-I322 HydrophobicContact CG2-CG2 4.15Å; V293-L342 HydrophobicContact CG1-CD1 4.14Å; V293-L342 HydrophobicContact CG1-CD2 3.9Å
294	V	95.7	Very high	91.5	Very high	25 Å²	25	52.9 Å²	52.9	15%	0.152	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.1	-179.1	-175.6	0	0	0	0	108.4	V286 N287 D289 R292 Q318	V286-V294 WeakPolarHBondContact CA-O 2.97Å; N287-V294 PolarHBondContact N-O 2.98Å; N287-V294 PolarHBondContact O-N 3.35Å; D289-V294 HydrophobicContact CB-CG2 4.37Å; R292-V294 HydrophobicContact CB-CG2 4.44Å; V294-Q318 WeakPolarHBondContact CA-O 3.29Å
295	V	96.7	Very high	90.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.7	171.3	-178.9	0	0	0	0	107.4	V273 V286 F316 S317 Q318 L340 L342	V273-V295 HydrophobicContact CG2-CB 4.28Å; V273-V295 HydrophobicContact CG2-CG1 4.33Å; V273-V295 HydrophobicContact CG2-CG2 3.97Å; V286-V295 HydrophobicContact CG2-CG2 4.37Å; V295-F316 HydrophobicContact CG1-CE2 4.09Å; V295-F316 HydrophobicContact CG1-CZ 4.34Å; V295-S317 CarbonylContact O-C 3.59Å; V295-S317 WeakPolarHBondContact O-CA 3.42Å; V295-Q318 PolarHBondContact N-O 2.62Å; V295-Q318 PolarHBondContact O-N 3.16Å; V295-L340 HydrophobicContact CG1-CD1 3.66Å; V295-L340 HydrophobicContact CG1-CD2 4.32Å; V295-L340 HydrophobicContact CG2-CD2 4.31Å; V295-L342 HydrophobicContact CG2-CD2 3.67Å
296	S	96.6	Very high	89.9	Confident	33 Å²	33	63.1 Å²	63.1	23%	0.231	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.2	178.5	56.4	0	0	0	0	110.6	L284 C285 F316	L284-S296 WeakPolarHBondContact CA-O 3.5Å; C285-S296 PolarHBondContact N-O 3.21Å; C285-S296 PolarHBondContact O-N 3.28Å; C285-S296 PolarHBondContact O-OG 2.92Å; S296-F316 VanDerWaalsContact CA-O 3.28Å; S296-F316 WeakPolarHBondContact CA-O 3.35Å
297	G	95.8	Very high	89	Confident	2 Å²	2	74 Å²	74	2%	0.021	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141.2	171.9	0	0	0	0	0	111.7	D283 E315 F316	D283-G297 CarbonylContact O-C 3.58Å; D283-G297 WeakPolarHBondContact O-CA 3.33Å; G297-E315 CarbonylContact O-C 3.45Å; G297-E315 WeakPolarHBondContact O-CA 3.27Å; G297-F316 PolarHBondContact N-O 3.14Å; G297-F316 PolarHBondContact O-N 3.43Å
298	R	95	Very high	88.5	Confident	109 Å²	109	75.5 Å²	75.5	41%	0.411	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	112	177.4	-171.9	175.8	-171.8	173.7	5.3	110.7	E226 D283 F313 A314	E226-R298 IonicContact OE1-CZ 3.97Å; E226-R298 IonicContact OE1-NH1 3.75Å; E226-R298 PolarHBondContact OE1-NH1 3.24Å; D283-R298 PolarHBondContact O-N 3.34Å; R298-F313 HydrophobicContact CG-CD2 4.25Å; R298-A314 CarbonylContact C-O 3.52Å; R298-A314 WeakPolarHBondContact CA-O 3.32Å
299	H	94.6	Very high	88.1	Confident	36 Å²	36	84.7 Å²	84.7	17%	0.167	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.8	-177.9	-179	81.5	0	0	0	111.4	V278 Y279 D283 F313 A314	V278-H299 PolarHBondContact O-CE1 2.91Å; V278-H299 PolarHBondContact O-ND1 3.39Å; Y279-H299 HydrophobicContact CD1-CB 3.75Å; Y279-H299 HydrophobicContact CE1-CB 3.85Å; D283-H299 HydrophobicContact CB-CB 4.41Å; D283-H299 IonicContact OD1-ND1 3.5Å; D283-H299 PolarHBondContact OD1-ND1 3.17Å; D283-H299 IonicContact OD2-CE1 3.83Å; D283-H299 IonicContact OD2-CG 3.65Å; D283-H299 IonicContact OD2-ND1 2.8Å; D283-H299 PolarHBondContact OD2-ND1 2.84Å; H299-F313 CarbonylContact O-C 3.44Å; H299-F313 WeakPolarHBondContact O-CA 3.34Å; H299-F313 WeakPolarHBondContact O-CB 3.35Å; H299-A314 PolarHBondContact N-O 2.71Å; H299-A314 PolarHBondContact O-N 2.91Å
300	H	92.5	Very high	88	Confident	95 Å²	95	85.9 Å²	85.9	44%	0.44	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.5	-178.2	-163.1	79.1	0	0	0	112.2	S311	H300-S311 WeakPolarHBondContact NE2-CB 3.09Å
301	K	89	Confident	88.4	Confident	85 Å²	85	88.6 Å²	88.6	37%	0.37	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.2	179.1	-62.4	179.7	-177.2	177	0	109.6	S312	K301-S312 PolarHBondContact N-O 2.77Å; K301-S312 PolarHBondContact O-N 2.79Å
302	Q	86.2	Confident	88.7	Confident	154 Å²	154	87.2 Å²	87.2	72%	0.72	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	131	170.2	-67.2	-174.5	4.6	0	0	110.4
303	K	82.4	Confident	88.7	Confident	155 Å²	155	87 Å²	87	67%	0.674	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.8	172	-71.5	-176.2	178	-177.3	0	109.1	S310	K303-S310 PolarHBondContact N-O 2.93Å; K303-S310 PolarHBondContact O-N 2.88Å
304	S	81.9	Confident	88.7	Confident	108 Å²	108	88.1 Å²	88.1	76%	0.755	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	110	166.4	49.9	0	0	0	0	109.2
305	G	78.8	Confident	88.7	Confident	50 Å²	50	91.8 Å²	91.8	52%	0.515	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	169.9	171.1	0	0	0	0	0	111.6	Y307 G308	G305-Y307 PolarHBondContact O-N 2.84Å; G305-Y307 VanDerWaalsContact O-N 3.14Å; G305-G308 PolarHBondContact N-O 2.82Å; G305-G308 PolarHBondContact O-N 2.93Å
306	Q	81.1	Confident	88.7	Confident	185 Å²	185	94 Å²	94	86%	0.864	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.9	178.9	-165.7	174.7	3.3	0	0	113.5
307	Y	77.2	Confident	88.6	Confident	230 Å²	230	96.5 Å²	96.5	90%	0.902	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	9.2	-178.5	-64.7	-77.7	0	0	0	114.5	G305	G305-Y307 PolarHBondContact O-N 2.84Å; G305-Y307 VanDerWaalsContact O-N 3.14Å
308	G	83.1	Confident	88.6	Confident	44 Å²	44	100.2 Å²	100.2	45%	0.454	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	137.4	179.7	178.4	0	0	0	0	0	113.9	G305	G305-G308 PolarHBondContact N-O 2.82Å; G305-G308 PolarHBondContact O-N 2.93Å
309	K	83.9	Confident	88.6	Confident	197 Å²	197	98 Å²	98	86%	0.857	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	125	175.6	-63.3	179.9	-179.4	-179.6	0	108.8
310	S	86.1	Confident	88.6	Confident	80 Å²	80	97.7 Å²	97.7	56%	0.559	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.5	168	-176.6	0	0	0	0	108.7	K303	K303-S310 PolarHBondContact N-O 2.93Å; K303-S310 PolarHBondContact O-N 2.88Å
311	S	88.8	Confident	88.6	Confident	80 Å²	80	95.8 Å²	95.8	56%	0.559	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.2	169.9	56.5	0	0	0	0	109.4	H300	H300-S311 WeakPolarHBondContact NE2-CB 3.09Å
312	S	91.6	Very high	88.6	Confident	58 Å²	58	92 Å²	92	41%	0.406	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	170.6	166.4	62.4	0	0	0	0	109.5	K301	K301-S312 PolarHBondContact N-O 2.77Å; K301-S312 PolarHBondContact O-N 2.79Å
313	F	92.2	Very high	88.1	Confident	101 Å²	101	88.9 Å²	88.9	44%	0.443	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.9	171.2	60.9	-87.6	0	0	0	109.8	R298 H299 E315	R298-F313 HydrophobicContact CG-CD2 4.25Å; H299-F313 CarbonylContact O-C 3.44Å; H299-F313 WeakPolarHBondContact O-CA 3.34Å; H299-F313 WeakPolarHBondContact O-CB 3.35Å; F313-E315 HydrophobicContact CD2-CB 4.05Å; F313-E315 HydrophobicContact CE2-CB 4.13Å; F313-E315 WeakPolarHBondContact CE2-OE2 3.41Å
314	A	93.9	Very high	87.9	Confident	24 Å²	24	85.2 Å²	85.2	20%	0.198	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.1	164.7	0	0	0	0	0	107.7	Y279 R298 H299	Y279-A314 HydrophobicContact CE1-CB 4.48Å; Y279-A314 VanDerWaalsContact OH-C 3.25Å; Y279-A314 WeakPolarHBondContact OH-CB 3.29Å; R298-A314 CarbonylContact C-O 3.52Å; R298-A314 WeakPolarHBondContact CA-O 3.32Å; H299-A314 PolarHBondContact N-O 2.71Å; H299-A314 PolarHBondContact O-N 2.91Å
315	E	95.5	Very high	87.7	Confident	101 Å²	101	81.3 Å²	81.3	47%	0.472	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146.5	179.8	-177.7	174.7	-163.5	0	0	110.8	Y279 G297 F313	Y279-E315 WeakPolarHBondContact OH-CA 3.48Å; Y279-E315 PolarHBondContact OH-N 2.78Å; Y279-E315 VanDerWaalsContact OH-N 3.14Å; G297-E315 CarbonylContact O-C 3.45Å; G297-E315 WeakPolarHBondContact O-CA 3.27Å; F313-E315 HydrophobicContact CD2-CB 4.05Å; F313-E315 HydrophobicContact CE2-CB 4.13Å; F313-E315 WeakPolarHBondContact CE2-OE2 3.41Å
316	F	95.9	Very high	88.2	Confident	47 Å²	47	79 Å²	79	21%	0.206	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	156.8	167.1	77.7	-83.6	0	0	0	110.9	V273 V275 Y279 L284 V295 S296 G297	V273-F316 HydrophobicContact CG1-CE2 4.41Å; V275-F316 HydrophobicContact CG2-CZ 4.33Å; Y279-F316 HydrophobicContact CD1-CD1 4.38Å; Y279-F316 HydrophobicContact CD1-CE1 4.14Å; Y279-F316 HydrophobicContact CD2-CD1 4.11Å; Y279-F316 AromaticContact CD2-CE1 3.87Å; Y279-F316 HydrophobicContact CD2-CE1 3.87Å; Y279-F316 AromaticContact CE1-CD1 3.91Å; Y279-F316 HydrophobicContact CE1-CD1 3.91Å; Y279-F316 HydrophobicContact CE1-CE1 4.14Å; Y279-F316 AromaticContact CE2-CD1 3.61Å; Y279-F316 HydrophobicContact CE2-CD1 3.61Å; Y279-F316 AromaticContact CE2-CE1 3.87Å; Y279-F316 HydrophobicContact CE2-CE1 3.87Å; Y279-F316 HydrophobicContact CG-CD1 4.48Å; Y279-F316 HydrophobicContact CG-CE1 4.02Å; Y279-F316 AromaticContact CZ-CD1 3.5Å; L284-F316 HydrophobicContact CD2-CE1 3.66Å; L284-F316 HydrophobicContact CD2-CZ 3.7Å; V295-F316 HydrophobicContact CG1-CE2 4.09Å; V295-F316 HydrophobicContact CG1-CZ 4.34Å; S296-F316 VanDerWaalsContact CA-O 3.28Å; S296-F316 WeakPolarHBondContact CA-O 3.35Å; G297-F316 PolarHBondContact N-O 3.14Å; G297-F316 PolarHBondContact O-N 3.43Å
317	S	95.6	Very high	88.6	Confident	86 Å²	86	70.3 Å²	70.3	60%	0.601	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.7	130.8	170.9	-177.8	0	0	0	0	109.3	V295	V295-S317 CarbonylContact O-C 3.59Å; V295-S317 WeakPolarHBondContact O-CA 3.42Å
318	Q	95.2	Very high	89.3	Confident	80 Å²	80	59.7 Å²	59.7	37%	0.374	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.4	177.9	-170.4	161.1	4.4	0	0	109.4	V294 V295 Y320	V294-Q318 WeakPolarHBondContact CA-O 3.29Å; V295-Q318 PolarHBondContact N-O 2.62Å; V295-Q318 PolarHBondContact O-N 3.16Å; Q318-Y320 HydrophobicContact CG-CE2 3.78Å; Q318-Y320 PolarHBondContact NE2-OH 3.06Å
319	S	95.3	Very high	89.6	Confident	62 Å²	62	57.7 Å²	57.7	43%	0.434	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.8	-177.9	72.4	0	0	0	0	111.5	V293	V293-S319 CarbonylContact O-C 3.57Å; V293-S319 WeakPolarHBondContact O-CA 3.3Å
320	Y	94.8	Very high	89.9	Confident	29 Å²	29	49.6 Å²	49.6	11%	0.114	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.6	175.5	-58.9	-86.9	0	0	0	109.4	L257 V271 V273 R292 V293 Q318	L257-Y320 HydrophobicContact CB-CD1 3.89Å; L257-Y320 HydrophobicContact CB-CG 4.25Å; V271-Y320 HydrophobicContact CG1-CD2 3.66Å; V271-Y320 HydrophobicContact CG1-CE1 4.36Å; V271-Y320 HydrophobicContact CG1-CE2 3.37Å; V271-Y320 HydrophobicContact CG1-CG 4.25Å; V273-Y320 HydrophobicContact CG2-CE2 3.93Å; R292-Y320 CarbonylContact C-O 3.53Å; R292-Y320 WeakPolarHBondContact CA-O 3.44Å; V293-Y320 PolarHBondContact N-O 3.44Å; V293-Y320 PolarHBondContact O-N 2.84Å; Q318-Y320 HydrophobicContact CG-CE2 3.78Å; Q318-Y320 PolarHBondContact NE2-OH 3.06Å
321	A	92.1	Very high	90.2	Very high	55 Å²	55	45.9 Å²	45.9	46%	0.455	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	132.5	173	0	0	0	0	0	110	L257 N291	L257-A321 WeakPolarHBondContact CD2-O 3.18Å; N291-A321 CarbonylContact O-C 3.5Å; N291-A321 WeakPolarHBondContact O-CA 3.38Å
322	I	88.4	Confident	90.4	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.036	26%	0.258	C	S	.	.			trans	-116.8	142.9	179.1	55.3	170	0	0	0	109.6	L257 L269 N291 V293 E324 V326	L257-I322 HydrophobicContact CD2-CG2 4.24Å; L269-I322 HydrophobicContact CD1-CB 4.27Å; L269-I322 HydrophobicContact CD1-CG2 3.4Å; L269-I322 HydrophobicContact CD2-CG2 4.1Å; L269-I322 HydrophobicContact CG-CG2 4.4Å; N291-I322 VanDerWaalsContact O-CG1 3.22Å; N291-I322 WeakPolarHBondContact O-CG1 3.25Å; N291-I322 PolarHBondContact O-N 3.48Å; V293-I322 HydrophobicContact CG2-CD1 4.07Å; V293-I322 HydrophobicContact CG2-CG2 4.15Å; I322-E324 WeakPolarHBondContact CD1-O 3.35Å; I322-V326 HydrophobicContact CD1-CB 3.98Å; I322-V326 HydrophobicContact CD1-CG2 3.62Å
323	P	76.9	Confident	90.6	Very high	88 Å²	88	41.7 Å²	41.7	57%	0.571	24%	0.241	S	C	*	.	S	Bend	trans	-76.9	-26.1	-171.6	30	-36.1	0	0	0	113.1	Y259	Y259-P323 HydrophobicContact CE1-CG 4.4Å; Y259-P323 WeakPolarHBondContact OH-CD 3.37Å; Y259-P323 WeakPolarHBondContact OH-CG 3.27Å
324	E	78	Confident	90.8	Very high	77 Å²	77	36.9 Å²	36.9	36%	0.36	22%	0.22	S	C	.	.	S	Bend	trans	-128.1	155.6	-176.6	-66.8	176.2	-163.3	0	0	108.7	I322	I322-E324 WeakPolarHBondContact CD1-O 3.35Å
325	T	78.2	Confident	90.8	Very high	27 Å²	27	36.6 Å²	36.6	17%	0.166	22%	0.215	C	C	.	.			trans	-64.5	143.6	174.6	-164.8	0	0	0	0	109.7	L127 E347	L127-T325 HydrophobicContact CD1-CG2 4.09Å; T325-E347 HydrophobicContact CG2-CB 3.99Å; T325-E347 PolarHBondContact O-N 3.13Å
326	V	88.4	Confident	90.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-111.2	135.4	171.2	166.3	0	0	0	0	106.7	V288 I322 P328 V331 A344 L346	V288-V326 HydrophobicContact CG1-CB 4.15Å; V288-V326 HydrophobicContact CG2-CB 4.33Å; V288-V326 HydrophobicContact CG2-CG1 3.96Å; I322-V326 HydrophobicContact CD1-CB 3.98Å; I322-V326 HydrophobicContact CD1-CG2 3.62Å; V326-P328 VanDerWaalsContact O-CD 3.24Å; V326-P328 WeakPolarHBondContact O-CD 3.37Å; V326-V331 HydrophobicContact CG1-CG2 3.92Å; V326-A344 HydrophobicContact CG1-CB 3.46Å; V326-A344 VanDerWaalsContact CG1-CB 3.46Å; V326-A344 HydrophobicContact CG2-CB 4.39Å; V326-L346 HydrophobicContact CG2-CD2 3.96Å
327	D	89.6	Confident	90.5	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	22%	0.224	C	C	.	.			trans	-67.9	117.6	166.7	177.3	12.2	0	0	0	108.8	Y131 P190 S192 L329 S330 E347	Y131-D327 WeakPolarHBondContact CE2-OD1 3.37Å; Y131-D327 VanDerWaalsContact CZ-OD1 3.23Å; Y131-D327 VanDerWaalsContact OH-CG 3.31Å; Y131-D327 PolarHBondContact OH-OD1 3.32Å; P190-D327 HydrophobicContact CB-CB 4.34Å; P190-D327 WeakPolarHBondContact CB-OD2 3.48Å; S192-D327 WeakPolarHBondContact CB-OD2 3.37Å; S192-D327 PolarHBondContact OG-OD2 2.81Å; D327-L329 PolarHBondContact O-N 2.72Å; D327-L329 VanDerWaalsContact O-N 3.09Å; D327-L329 PolarHBondContact OD1-N 3.49Å; D327-L329 VanDerWaalsContact OD1-N 3.15Å; D327-S330 WeakPolarHBondContact O-CB 3.46Å; D327-S330 PolarHBondContact O-N 2.97Å; D327-S330 PolarHBondContact O-OG 3.37Å; D327-E347 HydrophobicContact CB-CG 4.26Å
328	P	91.5	Very high	90.4	Very high	7 Å²	7	34.7 Å²	34.7	5%	0.045	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-48.3	-35.6	175.7	-24.9	29.1	0	0	0	113.6	Y131 V288 V326 S330 V331	Y131-P328 HydrophobicContact CD2-CB 4.3Å; Y131-P328 HydrophobicContact CD2-CG 3.91Å; Y131-P328 HydrophobicContact CE2-CB 4.45Å; Y131-P328 HydrophobicContact CE2-CG 3.96Å; V288-P328 HydrophobicContact CB-CB 4.45Å; V288-P328 HydrophobicContact CB-CG 4.13Å; V288-P328 HydrophobicContact CG2-CB 4.48Å; V326-P328 VanDerWaalsContact O-CD 3.24Å; V326-P328 WeakPolarHBondContact O-CD 3.37Å; P328-S330 VanDerWaalsContact C-N 3.26Å; P328-S330 PolarHBondContact O-N 3.15Å; P328-V331 WeakPolarHBondContact O-CB 3.16Å; P328-V331 PolarHBondContact O-N 3.19Å
329	L	90.8	Very high	90.4	Very high	3 Å²	3	32 Å²	32	2%	0.016	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-79.3	-4.3	179.1	-61	-171.1	0	0	0	113.8	Y131 V214 Q220 L222 V230 D327	Y131-L329 HydrophobicContact CD1-CD1 3.69Å; Y131-L329 HydrophobicContact CD1-CG 4.09Å; Y131-L329 HydrophobicContact CE1-CD1 3.39Å; Y131-L329 HydrophobicContact CE1-CG 3.87Å; Y131-L329 HydrophobicContact CE2-CG 4.4Å; Y131-L329 HydrophobicContact CG-CD1 4.48Å; Y131-L329 HydrophobicContact CG-CG 4.42Å; V214-L329 HydrophobicContact CB-CD1 3.54Å; V214-L329 HydrophobicContact CG1-CD1 3.55Å; V214-L329 HydrophobicContact CG2-CD1 3.86Å; Q220-L329 PolarHBondContact NE2-O 3.35Å; Q220-L329 PolarHBondContact OE1-O 3.29Å; L222-L329 HydrophobicContact CD1-CD2 3.85Å; L222-L329 HydrophobicContact CD2-CD2 3.65Å; L222-L329 HydrophobicContact CG-CD2 4.43Å; V230-L329 HydrophobicContact CG1-CD2 3.96Å; D327-L329 PolarHBondContact O-N 2.72Å; D327-L329 VanDerWaalsContact O-N 3.09Å; D327-L329 PolarHBondContact OD1-N 3.49Å; D327-L329 VanDerWaalsContact OD1-N 3.15Å
330	S	89.8	Confident	90.5	Very high	27 Å²	27	29.1 Å²	29.1	19%	0.189	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-88.8	-11	171.1	76.1	0	0	0	0	113.1	D327 P328 S332	D327-S330 WeakPolarHBondContact O-CB 3.46Å; D327-S330 PolarHBondContact O-N 2.97Å; D327-S330 PolarHBondContact O-OG 3.37Å; P328-S330 VanDerWaalsContact C-N 3.26Å; P328-S330 PolarHBondContact O-N 3.15Å; S330-S332 PolarHBondContact O-N 2.84Å
331	V	92.8	Very high	90.6	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.012	18%	0.181	C	C	.	.			trans	-72.2	125.7	-176.3	178	0	0	0	0	110.4	V232 V286 V288 V326 P328 A344	V232-V331 HydrophobicContact CB-CG1 4.33Å; V232-V331 HydrophobicContact CG2-CB 3.97Å; V232-V331 HydrophobicContact CG2-CG1 4.16Å; V286-V331 HydrophobicContact CG1-CG1 3.79Å; V288-V331 HydrophobicContact CG2-CG2 3.65Å; V326-V331 HydrophobicContact CG1-CG2 3.92Å; P328-V331 WeakPolarHBondContact O-CB 3.16Å; P328-V331 PolarHBondContact O-N 3.19Å; V331-A344 HydrophobicContact CB-CB 4.45Å; V331-A344 HydrophobicContact CG2-CB 3.86Å
332	S	92.5	Very high	90.8	Very high	45 Å²	45	25.1 Å²	25.1	32%	0.315	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.8	165.9	-68.5	0	0	0	0	109	L249 S330 L342 E343	L249-S332 WeakPolarHBondContact CD1-O 3.46Å; S330-S332 PolarHBondContact O-N 2.84Å; S332-L342 CarbonylContact O-C 3.58Å; S332-L342 WeakPolarHBondContact O-CA 3.28Å; S332-L342 WeakPolarHBondContact O-CB 3.36Å; S332-E343 PolarHBondContact N-O 3.38Å; S332-E343 PolarHBondContact O-N 2.77Å
333	A	95.4	Very high	91.1	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.033	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.2	178.9	0	0	0	0	0	111.6	V232 P234 K235 V286 V341 L342	V232-A333 HydrophobicContact CG1-CB 4.12Å; P234-A333 WeakPolarHBondContact CA-O 3.23Å; P234-A333 HydrophobicContact CB-CB 4.14Å; P234-A333 HydrophobicContact CG-CB 4.15Å; K235-A333 PolarHBondContact N-O 2.96Å; V286-A333 HydrophobicContact CG2-CB 3.87Å; A333-V341 CarbonylContact C-O 3.49Å; A333-V341 WeakPolarHBondContact CA-O 3.43Å; A333-L342 HydrophobicContact CB-CB 4.02Å
334	Q	95.5	Very high	91.8	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	141.1	-175.6	-60.8	-174.8	15.1	0	0	109.4	K235 I240 Q247 L249 V341	K235-Q334 HydrophobicContact CB-CG 4.22Å; K235-Q334 HydrophobicContact CD-CG 4.3Å; I240-Q334 HydrophobicContact CD1-CB 3.76Å; I240-Q334 HydrophobicContact CD1-CG 4.29Å; I240-Q334 HydrophobicContact CG1-CB 4.17Å; I240-Q334 HydrophobicContact CG1-CG 4.13Å; Q247-Q334 PolarHBondContact O-NE2 2.77Å; L249-Q334 HydrophobicContact CB-CB 4.38Å; L249-Q334 HydrophobicContact CB-CG 4.27Å; L249-Q334 HydrophobicContact CD1-CB 4.4Å; L249-Q334 HydrophobicContact CD1-CG 4.08Å; L249-Q334 HydrophobicContact CG-CG 4.1Å; Q334-V341 PolarHBondContact N-O 2.86Å; Q334-V341 PolarHBondContact O-N 2.97Å
335	V	95.4	Very high	92.2	Very high	17 Å²	17	20.4 Å²	20.4	10%	0.103	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.6	167.1	-179	0	0	0	0	107.8	P234 K235 I240 P281 L284 G337	P234-V335 HydrophobicContact CB-CG2 3.85Å; K235-V335 PolarHBondContact O-N 2.83Å; I240-V335 VanDerWaalsContact CD1-O 3.25Å; I240-V335 WeakPolarHBondContact CD1-O 3.24Å; P281-V335 HydrophobicContact CB-CG2 4.43Å; P281-V335 HydrophobicContact CG-CB 4.37Å; P281-V335 HydrophobicContact CG-CG2 4.09Å; L284-V335 HydrophobicContact CD1-CG2 3.76Å; V335-G337 WeakPolarHBondContact CG1-O 3.38Å
336	V	93.5	Very high	92.3	Very high	55 Å²	55	20.4 Å²	20.4	33%	0.333	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	102.4	176.4	-178	0	0	0	0	107.7	N338 T339 V341	V336-N338 PolarHBondContact O-N 2.79Å; V336-N338 VanDerWaalsContact O-N 3.14Å; V336-T339 PolarHBondContact N-O 3.36Å; V336-T339 PolarHBondContact O-N 3.02Å; V336-T339 VanDerWaalsContact O-N 3.12Å; V336-V341 HydrophobicContact CB-CG2 4.42Å; V336-V341 HydrophobicContact CG2-CG2 4.21Å
337	G	91.7	Very high	91.5	Very high	51 Å²	51	22.1 Å²	22.1	53%	0.526	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	-111.4	-170.7	0	0	0	0	0	111.2	V335	V335-G337 WeakPolarHBondContact CG1-O 3.38Å
338	N	93.2	Very high	90.2	Very high	88 Å²	88	28 Å²	28	47%	0.471	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	15.3	178.1	-73.9	88.7	0	0	0	113.2	V275 P277 V336	V275-N338 PolarHBondContact N-O 2.71Å; P277-N338 VanDerWaalsContact CG-ND2 3.31Å; P277-N338 WeakPolarHBondContact CG-ND2 3.3Å; V336-N338 PolarHBondContact O-N 2.79Å; V336-N338 VanDerWaalsContact O-N 3.14Å
339	T	95.5	Very high	88.3	Confident	25 Å²	25	33.1 Å²	33.1	15%	0.153	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.2	-179.1	-57.1	0	0	0	0	109.3	E272 V273 V336 V341	E272-T339 HydrophobicContact CB-CG2 3.84Å; E272-T339 HydrophobicContact CG-CG2 4.17Å; V273-T339 WeakPolarHBondContact O-CA 3.1Å; V336-T339 PolarHBondContact N-O 3.36Å; V336-T339 PolarHBondContact O-N 3.02Å; V336-T339 VanDerWaalsContact O-N 3.12Å; T339-V341 HydrophobicContact CG2-CG2 4.13Å; T339-V341 PolarHBondContact O-N 2.8Å
340	L	97.2	Very high	86.1	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	122.7	163.7	-177.5	158.4	0	0	0	108	P234 E272 V273 V275 L284 V286 V295 L342	P234-L340 HydrophobicContact CB-CD1 4.31Å; P234-L340 HydrophobicContact CG-CD1 3.44Å; P234-L340 VanDerWaalsContact CG-CD1 3.44Å; P234-L340 HydrophobicContact CG-CG 4.09Å; E272-L340 CarbonylContact C-O 3.55Å; E272-L340 WeakPolarHBondContact CA-O 2.73Å; V273-L340 HydrophobicContact CB-CB 4.39Å; V273-L340 PolarHBondContact N-O 2.95Å; V273-L340 PolarHBondContact O-N 3.35Å; V275-L340 HydrophobicContact CG2-CB 3.74Å; L284-L340 HydrophobicContact CB-CD1 4.4Å; L284-L340 HydrophobicContact CD1-CD1 3.99Å; V286-L340 HydrophobicContact CG2-CD1 4.17Å; V286-L340 HydrophobicContact CG2-CD2 4.17Å; V295-L340 HydrophobicContact CG1-CD1 3.66Å; V295-L340 HydrophobicContact CG1-CD2 4.32Å; V295-L340 HydrophobicContact CG2-CD2 4.31Å; L340-L342 HydrophobicContact CD2-CB 4.25Å; L340-L342 HydrophobicContact CD2-CD2 3.85Å; L340-L342 HydrophobicContact CD2-CG 4.4Å
341	V	97	Very high	83.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.6	174	-170.5	0	0	0	0	107.9	L249 A251 H270 V271 E272 A333 Q334 V336 T339	L249-V341 HydrophobicContact CB-CB 4.27Å; L249-V341 HydrophobicContact CB-CG1 3.93Å; L249-V341 HydrophobicContact CD1-CG1 4.31Å; L249-V341 WeakPolarHBondContact CD1-O 3.46Å; A251-V341 HydrophobicContact CB-CG2 3.82Å; H270-V341 VanDerWaalsContact CE1-CG1 3.43Å; H270-V341 WeakPolarHBondContact CE1-CG1 3.4Å; V271-V341 WeakPolarHBondContact O-CA 3.39Å; E272-V341 HydrophobicContact CG-CG1 4.48Å; E272-V341 HydrophobicContact CG-CG2 4.36Å; A333-V341 CarbonylContact C-O 3.49Å; A333-V341 WeakPolarHBondContact CA-O 3.43Å; Q334-V341 PolarHBondContact N-O 2.86Å; Q334-V341 PolarHBondContact O-N 2.97Å; V336-V341 HydrophobicContact CB-CG2 4.42Å; V336-V341 HydrophobicContact CG2-CG2 4.21Å; T339-V341 HydrophobicContact CG2-CG2 4.13Å; T339-V341 PolarHBondContact O-N 2.8Å
342	L	95.9	Very high	80.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.1	170.7	68.4	90.9	0	0	0	111.1	L269 H270 V271 V286 V293 V295 S332 A333 L340	L269-L342 HydrophobicContact CD2-CD1 4.03Å; H270-L342 WeakPolarHBondContact CA-O 2.98Å; V271-L342 HydrophobicContact CB-CD1 3.82Å; V271-L342 HydrophobicContact CB-CD2 4Å; V271-L342 HydrophobicContact CB-CG 3.74Å; V271-L342 HydrophobicContact CG1-CD2 4.48Å; V271-L342 HydrophobicContact CG2-CD1 3.78Å; V271-L342 HydrophobicContact CG2-CG 4.28Å; V271-L342 PolarHBondContact N-O 2.76Å; V271-L342 PolarHBondContact O-N 2.87Å; V286-L342 HydrophobicContact CG1-CD2 3.73Å; V286-L342 HydrophobicContact CG2-CD2 4.1Å; V293-L342 HydrophobicContact CG1-CD1 4.14Å; V293-L342 HydrophobicContact CG1-CD2 3.9Å; V295-L342 HydrophobicContact CG2-CD2 3.67Å; S332-L342 CarbonylContact O-C 3.58Å; S332-L342 WeakPolarHBondContact O-CA 3.28Å; S332-L342 WeakPolarHBondContact O-CB 3.36Å; A333-L342 HydrophobicContact CB-CB 4.02Å; L340-L342 HydrophobicContact CD2-CB 4.25Å; L340-L342 HydrophobicContact CD2-CD2 3.85Å; L340-L342 HydrophobicContact CD2-CG 4.4Å
343	E	94.6	Very high	77.4	Confident	17 Å²	17	50.5 Å²	50.5	8%	0.079	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.1	169.3	-67.9	-170.4	172.5	0	0	110.8	L249 R268 L269 H270 S332	L249-E343 HydrophobicContact CD2-CB 3.93Å; L249-E343 HydrophobicContact CD2-CG 3.81Å; R268-E343 IonicContact CZ-OE2 2.81Å; R268-E343 VanDerWaalsContact CZ-OE2 3.29Å; R268-E343 IonicContact NH1-OE2 2.97Å; R268-E343 PolarHBondContact NH1-OE2 3.04Å; R268-E343 IonicContact NH2-OE2 3.34Å; L269-E343 WeakPolarHBondContact O-CA 3.43Å; L269-E343 WeakPolarHBondContact O-CB 3.39Å; H270-E343 HydrophobicContact CB-CG 4.18Å; H270-E343 IonicContact CE1-OE1 3.51Å; H270-E343 IonicContact CG-OE1 2.81Å; H270-E343 WeakPolarHBondContact ND1-CG 3.36Å; H270-E343 IonicContact ND1-OE1 3.84Å; H270-E343 PolarHBondContact ND1-OE1 2.89Å; S332-E343 PolarHBondContact N-O 3.38Å; S332-E343 PolarHBondContact O-N 2.77Å
344	A	92.1	Very high	74.3	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.008	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	149.6	176.1	0	0	0	0	0	111.6	R268 L269 V326 V331	R268-A344 CarbonylContact C-O 3.57Å; R268-A344 WeakPolarHBondContact CA-O 3.29Å; R268-A344 WeakPolarHBondContact CB-O 3.25Å; L269-A344 HydrophobicContact CB-CB 4.28Å; L269-A344 HydrophobicContact CD2-CB 4.49Å; L269-A344 PolarHBondContact N-O 3.15Å; L269-A344 PolarHBondContact O-N 2.89Å; V326-A344 HydrophobicContact CG1-CB 3.46Å; V326-A344 VanDerWaalsContact CG1-CB 3.46Å; V326-A344 HydrophobicContact CG2-CB 4.39Å; V331-A344 HydrophobicContact CB-CB 4.45Å; V331-A344 HydrophobicContact CG2-CB 3.86Å
345	S	86.1	Confident	73.2	Confident	56 Å²	56	64.9 Å²	64.9	39%	0.392	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	132	174.3	-64.8	0	0	0	0	109.9
346	L	80.4	Confident	72	Confident	26 Å²	26	67.4 Å²	67.4	14%	0.136	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-76.8	125	169.1	-62	174.6	0	0	0	108.2	Y259 K267 L269 V326 K348	Y259-L346 HydrophobicContact CD1-CD1 4.06Å; Y259-L346 HydrophobicContact CE1-CD1 3.96Å; K267-L346 HydrophobicContact CB-CD1 4.16Å; L269-L346 HydrophobicContact CB-CD2 4.37Å; L269-L346 HydrophobicContact CD1-CD2 4.35Å; V326-L346 HydrophobicContact CG2-CD2 3.96Å; L346-K348 PolarHBondContact O-N 2.7Å
347	E	71	Confident	70.8	Confident	36 Å²	36	68.1 Å²	68.1	17%	0.168	38%	0.375	C	S	.	.			trans	-75.4	97.7	172.2	-70.5	-63.3	151.3	0	0	107.8	T325 D327 Q349	T325-E347 HydrophobicContact CG2-CB 3.99Å; T325-E347 PolarHBondContact O-N 3.13Å; D327-E347 HydrophobicContact CB-CG 4.26Å; E347-Q349 PolarHBondContact O-N 3.06Å
348	K	62	Low	69.6	Low	126 Å²	126	69.1 Å²	69.1	55%	0.548	37%	0.366	S	S	.	.			trans	-56.6	109.9	172.6	-67.3	-176.4	-176.9	178.2	0	107.4	L346 H350	L346-K348 PolarHBondContact O-N 2.7Å; K348-H350 PolarHBondContact O-N 3.27Å
349	Q	52.5	Low	68.1	Low	115 Å²	115	67.9 Å²	67.9	54%	0.537	36%	0.359	S	S	.	.			trans	-59.1	112	154.7	-70.4	-170.2	-17.5	0	0	104.3	E347 A351	E347-Q349 PolarHBondContact O-N 3.06Å; Q349-A351 VanDerWaalsContact C-N 3.3Å; Q349-A351 PolarHBondContact O-N 3.02Å
350	H	44.8	Very low	66.3	Low	126 Å²	126	70.8 Å²	70.8	58%	0.583	37%	0.373	S	S	*	.			trans	-52.2	100.5	-178.3	-84.1	-90.7	0	0	0	108.3	K348 I352	K348-H350 PolarHBondContact O-N 3.27Å; H350-I352 VanDerWaalsContact C-N 3.35Å; H350-I352 PolarHBondContact O-N 3.22Å; H350-I352 VanDerWaalsContact O-N 3.09Å
351	A	32.5	Very low	64.1	Low	84 Å²	84	75.9 Å²	75.9	69%	0.694	40%	0.4	S	S	*	.			trans	-61.7	110.2	154.1	0	0	0	0	0	103.3	Q349 T353	Q349-A351 VanDerWaalsContact C-N 3.3Å; Q349-A351 PolarHBondContact O-N 3.02Å; A351-T353 PolarHBondContact O-N 3.17Å
352	I	31.8	Very low	61.6	Low	100 Å²	100	81.7 Å²	81.7	51%	0.513	43%	0.43	S	S	.	.			trans	-61.3	112.7	175.3	-69.7	162.3	0	0	0	105	E92 N93 H350 H354	E92-I352 WeakPolarHBondContact O-CD1 3.35Å; N93-I352 HydrophobicContact CB-CD1 4.3Å; H350-I352 VanDerWaalsContact C-N 3.35Å; H350-I352 PolarHBondContact O-N 3.22Å; H350-I352 VanDerWaalsContact O-N 3.09Å; I352-H354 PolarHBondContact O-N 3.23Å; I352-H354 VanDerWaalsContact O-N 3.12Å
353	T	26.5	Very low	58.7	Low	132 Å²	132	88.5 Å²	88.5	81%	0.81	47%	0.466	S	S	*	.			trans	-56.2	118.2	170.7	-30.8	0	0	0	0	106.4	A351	A351-T353 PolarHBondContact O-N 3.17Å
354	H	30.2	Very low	55.4	Low	243 Å²	243	95 Å²	95	100%	1.125	50%	0.501	S	S	*	.			trans	-52.7	0	174.1	-76	-72.8	0	0	0	112.5	I352	I352-H354 PolarHBondContact O-N 3.23Å; I352-H354 VanDerWaalsContact O-N 3.12Å

Retrieved 354 of 354 residues in 75 ms (Link to these results)

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