A0A077Z5D1_TRITR Loading...

ADAM CR and EGF 2 and Pep M12B propep and Disinte grin and Reprolysin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5D1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 615 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	72.4	Confident	75.7	Confident	168 Å²	168	69.7 Å²	69.7	83%	0.828	34%	0.339	S	S	*	.				0	131.9	0	-170.8	179.2	-169.3	0	0	107.3	G39	M1-G39 WeakPolarHBondContact O-CA 3.44Å
2	L	79.5	Confident	75.3	Confident	85 Å²	85	72.5 Å²	72.5	45%	0.445	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	141.5	176.5	-66.5	179.7	0	0	0	109.4	Y37 H38 V49 L51	L2-Y37 HydrophobicContact CB-CD1 4.26Å; L2-Y37 HydrophobicContact CB-CG 4.46Å; L2-H38 CarbonylContact C-O 3.51Å; L2-H38 WeakPolarHBondContact CA-O 3.47Å; L2-V49 HydrophobicContact CD2-CG2 3.56Å; L2-L51 HydrophobicContact CD1-CD1 4.29Å; L2-L51 HydrophobicContact CD2-CD1 4.17Å
3	Q	81.2	Confident	75.7	Confident	125 Å²	125	67.8 Å²	67.8	58%	0.584	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135	139.9	-179.8	-67	-178.9	-11.8	0	0	109	Y37 H38	Q3-Y37 WeakPolarHBondContact O-CA 3.12Å; Q3-H38 PolarHBondContact N-O 2.93Å; Q3-H38 PolarHBondContact O-N 3.46Å
4	R	77.5	Confident	76.2	Confident	129 Å²	129	68.3 Å²	68.3	49%	0.487	34%	0.336	S	S	.	.			trans	-70.5	134.7	174.9	-71.9	-178	175.1	176.8	-2.5	110.1	R6 E34 Y37	R4-R6 PolarHBondContact O-N 3.29Å; R4-E34 IonicContact CZ-OE2 2.64Å; R4-E34 PolarHBondContact NE-O 3.31Å; R4-E34 IonicContact NH1-OE2 3.09Å; R4-E34 PolarHBondContact NH1-OE2 3.29Å; R4-E34 PolarHBondContact NH2-O 2.88Å; R4-E34 IonicContact NH2-OE2 3.26Å; R4-E34 PolarHBondContact NH2-OE2 3.05Å; R4-Y37 HydrophobicContact CG-CD1 3.91Å; R4-Y37 HydrophobicContact CG-CE1 3.64Å
5	P	74.2	Confident	76.9	Confident	18 Å²	18	64.6 Å²	64.6	12%	0.117	32%	0.317	C	S	.	.			trans	-76.3	105.4	175.9	31	-30.9	0	0	0	109.6	V7 L8 L36	P5-V7 PolarHBondContact O-N 3.24Å; P5-L8 HydrophobicContact CB-CB 3.99Å; P5-L8 HydrophobicContact CG-CB 3.82Å; P5-L8 HydrophobicContact CG-CD2 3.9Å; P5-L8 HydrophobicContact CG-CG 4.37Å; P5-L8 PolarHBondContact O-N 2.92Å; P5-L36 WeakPolarHBondContact CD-O 3.49Å; P5-L36 HydrophobicContact CG-CB 4.34Å
6	R	67.2	Low	77.6	Confident	159 Å²	159	60.6 Å²	60.6	60%	0.6	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-28.6	-173.5	-65.3	-169.3	175.3	-168.5	1.4	117.5	R4 E354	R4-R6 PolarHBondContact O-N 3.29Å; R6-E354 WeakPolarHBondContact CA-OE1 3.37Å; R6-E354 WeakPolarHBondContact CB-OE1 3.33Å; R6-E354 WeakPolarHBondContact CD-OE1 2.8Å; R6-E354 WeakPolarHBondContact CD-OE2 3.27Å; R6-E354 WeakPolarHBondContact CG-OE1 2.89Å; R6-E354 IonicContact NE-OE2 3.47Å; R6-E354 IonicContact NH1-OE2 3.78Å
7	V	77	Confident	78.3	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	0.9	-169.8	-68.7	0	0	0	0	114	P5 A9 Y148 R191 S193 M350	P5-V7 PolarHBondContact O-N 3.24Å; V7-A9 VanDerWaalsContact C-N 3.29Å; V7-A9 PolarHBondContact O-N 3.5Å; V7-Y148 HydrophobicContact CB-CD1 4.31Å; V7-Y148 HydrophobicContact CB-CE1 4.42Å; V7-Y148 HydrophobicContact CG1-CD1 4.08Å; V7-Y148 HydrophobicContact CG1-CE1 3.81Å; V7-Y148 HydrophobicContact CG2-CD1 4.06Å; V7-Y148 HydrophobicContact CG2-CE1 4.12Å; V7-R191 HydrophobicContact CG2-CB 3.77Å; V7-R191 HydrophobicContact CG2-CG 4.31Å; V7-S193 VanDerWaalsContact O-CA 3.27Å; V7-S193 WeakPolarHBondContact O-CA 3.43Å; V7-S193 WeakPolarHBondContact O-CB 3.32Å; V7-S193 PolarHBondContact O-OG 3.36Å; V7-M350 HydrophobicContact CG1-CE 3.47Å; V7-M350 VanDerWaalsContact CG1-CE 3.47Å; V7-M350 HydrophobicContact CG1-CG 4.43Å
8	L	84	Confident	78.7	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.016	27%	0.27	C	S	.	.	S	Bend	trans	-64.3	-33.4	-166.6	-165	78.6	0	0	0	113.2	P5 L36 V178 N179 D182 L194	P5-L8 HydrophobicContact CB-CB 3.99Å; P5-L8 HydrophobicContact CG-CB 3.82Å; P5-L8 HydrophobicContact CG-CD2 3.9Å; P5-L8 HydrophobicContact CG-CG 4.37Å; P5-L8 PolarHBondContact O-N 2.92Å; L8-L36 HydrophobicContact CD2-CB 4.31Å; L8-L36 HydrophobicContact CD2-CD1 3.58Å; L8-V178 HydrophobicContact CD1-CG1 3.9Å; L8-V178 HydrophobicContact CG-CG1 4.25Å; L8-N179 HydrophobicContact CD2-CB 3.81Å; L8-D182 HydrophobicContact CD1-CB 3.51Å; L8-L194 WeakPolarHBondContact O-CB 3.47Å; L8-L194 PolarHBondContact O-N 2.88Å
9	A	79.7	Confident	78.3	Confident	5 Å²	5	52.5 Å²	52.5	4%	0.041	26%	0.259	C	S	.	.	S	Bend	trans	-147.7	92.1	-179.5	0	0	0	0	0	109.7	V7 K33 L175 Q353	V7-A9 VanDerWaalsContact C-N 3.29Å; V7-A9 PolarHBondContact O-N 3.5Å; A9-K33 HydrophobicContact CB-CD 4.09Å; A9-K33 HydrophobicContact CB-CG 3.89Å; A9-K33 WeakPolarHBondContact O-CD 3.33Å; A9-L175 HydrophobicContact CB-CD2 4.09Å; A9-Q353 VanDerWaalsContact C-OE1 3.27Å; A9-Q353 PolarHBondContact O-NE2 3.45Å; A9-Q353 VanDerWaalsContact O-NE2 3.15Å; A9-Q353 PolarHBondContact O-OE1 3.24Å
10	P	73.6	Confident	77.3	Confident	2 Å²	2	57 Å²	57	1%	0.013	28%	0.276	C	S	.	.			trans	-59.3	161.2	-173.7	26.5	-32.6	0	0	0	112.8	D12 A13 K33 S193 L194 V195 P351 Q353	P10-D12 VanDerWaalsContact C-N 3.3Å; P10-D12 VanDerWaalsContact CB-OD1 3.31Å; P10-D12 WeakPolarHBondContact CB-OD1 3.48Å; P10-D12 PolarHBondContact O-N 2.89Å; P10-A13 HydrophobicContact CG-CB 4.03Å; P10-A13 WeakPolarHBondContact O-CB 3.05Å; P10-A13 PolarHBondContact O-N 3.31Å; P10-K33 PolarHBondContact O-NZ 3.15Å; P10-S193 WeakPolarHBondContact CD-OG 3.3Å; P10-S193 WeakPolarHBondContact CG-OG 3.34Å; P10-L194 WeakPolarHBondContact CD-O 3.28Å; P10-V195 HydrophobicContact CG-CG1 3.9Å; P10-P351 HydrophobicContact CB-CB 4.49Å; P10-P351 HydrophobicContact CG-CB 4.42Å; P10-Q353 HydrophobicContact CB-CB 3.68Å
11	A	66.8	Low	76.2	Confident	72 Å²	72	57.8 Å²	57.8	60%	0.595	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-40	-165	0	0	0	0	0	110.2	A13 K33 Q353	A11-A13 VanDerWaalsContact C-N 3.25Å; A11-A13 PolarHBondContact O-N 3.03Å; A11-K33 PolarHBondContact O-NZ 3.41Å; A11-Q353 HydrophobicContact CB-CG 3.99Å
12	D	71.1	Confident	75.3	Confident	103 Å²	103	58.5 Å²	58.5	55%	0.551	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	0.2	170.3	60	-30.6	0	0	0	114.4	P10 K14	P10-D12 VanDerWaalsContact C-N 3.3Å; P10-D12 VanDerWaalsContact CB-OD1 3.31Å; P10-D12 WeakPolarHBondContact CB-OD1 3.48Å; P10-D12 PolarHBondContact O-N 2.89Å; D12-K14 PolarHBondContact O-N 3.4Å
13	A	79.9	Confident	74.2	Confident	11 Å²	11	55.9 Å²	55.9	9%	0.091	28%	0.277	C	S	.	.			trans	-57.2	126.4	174.4	0	0	0	0	0	110.8	P10 A11 F15 L194 V195	P10-A13 HydrophobicContact CG-CB 4.03Å; P10-A13 WeakPolarHBondContact O-CB 3.05Å; P10-A13 PolarHBondContact O-N 3.31Å; A11-A13 VanDerWaalsContact C-N 3.25Å; A11-A13 PolarHBondContact O-N 3.03Å; A13-F15 HydrophobicContact CB-CD2 4.48Å; A13-F15 HydrophobicContact CB-CE2 3.81Å; A13-L194 VanDerWaalsContact CB-O 3.24Å; A13-L194 WeakPolarHBondContact CB-O 3.49Å; A13-V195 CarbonylContact C-O 3.59Å; A13-V195 VanDerWaalsContact CA-O 3.28Å; A13-V195 WeakPolarHBondContact CA-O 3.4Å
14	K	83.3	Confident	73	Confident	75 Å²	75	53.4 Å²	53.4	33%	0.326	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.4	-175.2	-63.8	-178.3	-176	173.5	0	110.2	D12 T16 V195 H196 V197 D229 T230	D12-K14 PolarHBondContact O-N 3.4Å; K14-T16 HydrophobicContact CB-CG2 4.25Å; K14-V195 PolarHBondContact N-O 3.34Å; K14-H196 CarbonylContact O-C 3.44Å; K14-H196 WeakPolarHBondContact O-CA 3.38Å; K14-V197 PolarHBondContact O-N 3.28Å; K14-D229 PolarHBondContact NZ-O 3.41Å; K14-T230 HydrophobicContact CD-CG2 3.76Å
15	F	87	Confident	72	Confident	13 Å²	13	51.1 Å²	51.1	6%	0.057	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	106.1	173.3	-68.9	-97.5	0	0	0	108	A13 L27 F171 L175 L194 V197	A13-F15 HydrophobicContact CB-CD2 4.48Å; A13-F15 HydrophobicContact CB-CE2 3.81Å; F15-L27 PolarHBondContact O-N 2.82Å; F15-F171 HydrophobicContact CB-CD1 4.37Å; F15-F171 HydrophobicContact CB-CE1 4.05Å; F15-F171 HydrophobicContact CB-CE2 4.4Å; F15-F171 HydrophobicContact CB-CZ 4.08Å; F15-F171 HydrophobicContact CD1-CB 4.29Å; F15-F171 AromaticContact CD1-CD1 3.61Å; F15-F171 HydrophobicContact CD1-CD1 3.61Å; F15-F171 HydrophobicContact CD1-CE1 4.03Å; F15-F171 HydrophobicContact CD1-CG 4.01Å; F15-F171 HydrophobicContact CE1-CD1 4.47Å; F15-F171 HydrophobicContact CG-CD1 4.47Å; F15-L175 HydrophobicContact CE1-CD2 4.39Å; F15-L175 HydrophobicContact CE1-CG 4.4Å; F15-L175 HydrophobicContact CZ-CD2 4.11Å; F15-L194 HydrophobicContact CE1-CD2 4.06Å; F15-L194 HydrophobicContact CZ-CD2 4.09Å; F15-V197 HydrophobicContact CD1-CB 3.88Å; F15-V197 HydrophobicContact CD1-CG2 3.84Å; F15-V197 HydrophobicContact CE1-CB 4.22Å; F15-V197 HydrophobicContact CE1-CG2 3.64Å; F15-V197 HydrophobicContact CZ-CG2 4.42Å
16	T	87.9	Confident	71	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141.3	-164	53.3	0	0	0	0	110.9	K14 L24 D25 N26 H196 V197 E198 L199	K14-T16 HydrophobicContact CB-CG2 4.25Å; T16-L24 HydrophobicContact CG2-CD1 4.19Å; T16-L24 HydrophobicContact CG2-CD2 3.37Å; T16-L24 HydrophobicContact CG2-CG 3.55Å; T16-D25 WeakPolarHBondContact CA-O 3.15Å; T16-N26 WeakPolarHBondContact CG2-OD1 3.5Å; T16-H196 PolarHBondContact OG1-NE2 2.79Å; T16-V197 PolarHBondContact N-O 2.87Å; T16-V197 PolarHBondContact OG1-O 2.9Å; T16-E198 WeakPolarHBondContact O-CA 3.27Å; T16-E198 WeakPolarHBondContact OG1-CA 3.39Å; T16-E198 WeakPolarHBondContact OG1-CB 3.49Å; T16-L199 PolarHBondContact O-N 3.22Å
17	V	88.3	Confident	70.5	Confident	9 Å²	9	49.8 Å²	49.8	6%	0.055	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.4	169.3	-179	0	0	0	0	106.8	D25 L27 N167 F171 L199 T201	V17-D25 PolarHBondContact N-O 3.36Å; V17-D25 VanDerWaalsContact N-O 3.08Å; V17-D25 PolarHBondContact O-N 2.49Å; V17-D25 VanDerWaalsContact O-N 3.15Å; V17-L27 HydrophobicContact CG2-CD1 3.73Å; V17-N167 HydrophobicContact CG2-CB 4.23Å; V17-F171 HydrophobicContact CG2-CE2 4.15Å; V17-F171 HydrophobicContact CG2-CZ 3.99Å; V17-L199 HydrophobicContact CG2-CD1 4.4Å; V17-T201 HydrophobicContact CG1-CG2 3.53Å
18	F	85.6	Confident	69.2	Low	13 Å²	13	55 Å²	55	6%	0.057	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	124.7	175.7	177.8	-110.7	0	0	0	109.9	L24 E198 L199 T201 E203 R205	F18-L24 HydrophobicContact CB-CD1 4.33Å; F18-L24 HydrophobicContact CD2-CD1 4.44Å; F18-E198 HydrophobicContact CB-CG 4.15Å; F18-L199 PolarHBondContact N-O 2.88Å; F18-T201 PolarHBondContact O-N 3.12Å; F18-T201 PolarHBondContact O-OG1 3.47Å; F18-T201 VanDerWaalsContact O-OG1 3.06Å; F18-E203 HydrophobicContact CE1-CG 3.75Å; F18-R205 HydrophobicContact CD1-CG 3.51Å; F18-R205 HydrophobicContact CE1-CG 3.52Å; F18-R205 VanDerWaalsContact CE2-NH2 3.25Å; F18-R205 HydrophobicContact CG-CG 4.08Å; F18-R205 HydrophobicContact CZ-CG 4.12Å
19	S	72.5	Confident	67.8	Low	7 Å²	7	57.3 Å²	57.3	5%	0.049	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	125.1	177.7	173.1	0	0	0	0	108.7	S21 Y22 G23 Q202	S19-S21 PolarHBondContact O-N 3.07Å; S19-S21 PolarHBondContact OG-OG 3.26Å; S19-S21 VanDerWaalsContact OG-OG 3.07Å; S19-Y22 PolarHBondContact O-N 3.13Å; S19-G23 PolarHBondContact N-O 3.39Å; S19-G23 CarbonylContact O-C 3.54Å; S19-G23 WeakPolarHBondContact O-CA 3.3Å; S19-G23 PolarHBondContact O-N 2.67Å; S19-Q202 VanDerWaalsContact OG-CD 3.31Å; S19-Q202 PolarHBondContact OG-NE2 3.41Å; S19-Q202 PolarHBondContact OG-OE1 3.13Å
20	K	57.5	Low	66.4	Low	141 Å²	141	64 Å²	64	61%	0.613	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.8	-176.1	-158.9	-176.6	-156.1	142.5	0	112.3	E203	K20-E203 WeakPolarHBondContact CD-OE1 3.44Å; K20-E203 WeakPolarHBondContact CE-OE1 3.36Å; K20-E203 WeakPolarHBondContact CG-OE1 3.39Å; K20-E203 VanDerWaalsContact NZ-CD 3.31Å; K20-E203 IonicContact NZ-OE1 2.77Å; K20-E203 PolarHBondContact NZ-OE1 3.01Å; K20-E203 IonicContact NZ-OE2 3.89Å; K20-E203 PolarHBondContact NZ-OE2 2.97Å
21	S	54.6	Low	65.5	Low	75 Å²	75	70.1 Å²	70.1	52%	0.524	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-23.9	-178.2	52.8	0	0	0	0	114.4	S19	S19-S21 PolarHBondContact O-N 3.07Å; S19-S21 PolarHBondContact OG-OG 3.26Å; S19-S21 VanDerWaalsContact OG-OG 3.07Å
22	Y	53.8	Low	65.3	Low	182 Å²	182	67 Å²	67	71%	0.714	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	-6.8	-176.8	-61.1	-72.6	0	0	0	113.8	S19	S19-Y22 PolarHBondContact O-N 3.13Å
23	G	56.7	Low	65.1	Low	31 Å²	31	64 Å²	64	32%	0.32	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.1	-132.4	-171.7	0	0	0	0	0	111.5	S19	S19-G23 PolarHBondContact N-O 3.39Å; S19-G23 CarbonylContact O-C 3.54Å; S19-G23 WeakPolarHBondContact O-CA 3.3Å; S19-G23 PolarHBondContact O-N 2.67Å
24	L	55.9	Low	64.7	Low	73 Å²	73	68.6 Å²	68.6	38%	0.382	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	102.6	-175.5	-154.6	77.3	0	0	0	109.3	T16 F18 N26 E198	T16-L24 HydrophobicContact CG2-CD1 4.19Å; T16-L24 HydrophobicContact CG2-CD2 3.37Å; T16-L24 HydrophobicContact CG2-CG 3.55Å; F18-L24 HydrophobicContact CB-CD1 4.33Å; F18-L24 HydrophobicContact CD2-CD1 4.44Å; L24-N26 PolarHBondContact O-N 3.01Å; L24-E198 HydrophobicContact CD1-CG 4.21Å
25	D	55	Low	64.7	Low	80 Å²	80	65.7 Å²	65.7	43%	0.428	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	110.7	175.3	-78.4	-31.3	0	0	0	109.3	T16 V17 L27	T16-D25 WeakPolarHBondContact CA-O 3.15Å; V17-D25 PolarHBondContact N-O 3.36Å; V17-D25 VanDerWaalsContact N-O 3.08Å; V17-D25 PolarHBondContact O-N 2.49Å; V17-D25 VanDerWaalsContact O-N 3.15Å; D25-L27 PolarHBondContact O-N 3.42Å
26	N	54.5	Low	64.7	Low	95 Å²	95	65.1 Å²	65.1	51%	0.508	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	105.5	171.7	-81.5	-37.6	0	0	0	109.3	T16 L24 V28	T16-N26 WeakPolarHBondContact CG2-OD1 3.5Å; L24-N26 PolarHBondContact O-N 3.01Å; N26-V28 HydrophobicContact CB-CG2 4.36Å; N26-V28 PolarHBondContact O-N 2.77Å; N26-V28 VanDerWaalsContact O-N 3.12Å
27	L	55.8	Low	64.9	Low	55 Å²	55	67.5 Å²	67.5	29%	0.288	34%	0.344	S	S	.	.			trans	-77.9	95.4	162.2	-95.5	105.6	0	0	0	108	F15 V17 D25 E29 F171	F15-L27 PolarHBondContact O-N 2.82Å; V17-L27 HydrophobicContact CG2-CD1 3.73Å; D25-L27 PolarHBondContact O-N 3.42Å; L27-E29 HydrophobicContact CD2-CG 4.22Å; L27-E29 PolarHBondContact O-N 2.91Å; L27-F171 HydrophobicContact CB-CE2 4.34Å
28	V	49.6	Very low	65	Low	111 Å²	111	67.3 Å²	67.3	67%	0.673	34%	0.343	S	S	*	.			trans	-74.3	71.2	170.7	-174.2	0	0	0	0	108.7	N26 Q30	N26-V28 HydrophobicContact CB-CG2 4.36Å; N26-V28 PolarHBondContact O-N 2.77Å; N26-V28 VanDerWaalsContact O-N 3.12Å; V28-Q30 VanDerWaalsContact C-N 3.31Å; V28-Q30 HydrophobicContact CG1-CG 3.95Å; V28-Q30 PolarHBondContact O-N 2.9Å; V28-Q30 VanDerWaalsContact O-N 3.15Å
29	E	54.1	Low	65.2	Low	51 Å²	51	67.5 Å²	67.5	24%	0.238	35%	0.349	C	S	.	.			trans	-85.4	76.9	169	-71.4	-163.9	-161.4	0	0	109.8	L27 N31 L32 T168 R172	L27-E29 HydrophobicContact CD2-CG 4.22Å; L27-E29 PolarHBondContact O-N 2.91Å; E29-N31 PolarHBondContact O-N 3.37Å; E29-L32 HydrophobicContact CB-CD1 3.67Å; E29-L32 HydrophobicContact CB-CG 3.7Å; E29-L32 HydrophobicContact CG-CD1 4.35Å; E29-L32 PolarHBondContact O-N 3.45Å; E29-L32 VanDerWaalsContact OE2-CD1 3.26Å; E29-L32 WeakPolarHBondContact OE2-CD1 3.3Å; E29-L32 VanDerWaalsContact OE2-CD2 3.26Å; E29-L32 WeakPolarHBondContact OE2-CD2 3.25Å; E29-L32 WeakPolarHBondContact OE2-CG 3.35Å; E29-T168 WeakPolarHBondContact OE1-CB 3.33Å; E29-T168 WeakPolarHBondContact OE1-CG2 3.23Å; E29-T168 PolarHBondContact OE1-OG1 3.24Å; E29-T168 VanDerWaalsContact OE2-CG2 3.25Å; E29-T168 WeakPolarHBondContact OE2-CG2 3.34Å; E29-R172 IonicContact OE2-NH2 3.26Å
30	Q	50.5	Low	66	Low	145 Å²	145	73.4 Å²	73.4	68%	0.678	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-52	-28.5	174.1	-83.4	177.4	-9.9	0	0	112.7	V28 L32	V28-Q30 VanDerWaalsContact C-N 3.31Å; V28-Q30 HydrophobicContact CG1-CG 3.95Å; V28-Q30 PolarHBondContact O-N 2.9Å; V28-Q30 VanDerWaalsContact O-N 3.15Å; Q30-L32 PolarHBondContact O-N 3.12Å
31	N	55.8	Low	67.5	Low	130 Å²	130	69.1 Å²	69.1	70%	0.695	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-80.6	-10.7	-174.7	-71.4	-16.7	0	0	0	115.5	E29 K33	E29-N31 PolarHBondContact O-N 3.37Å; N31-K33 PolarHBondContact O-N 3Å
32	L	63	Low	69.1	Low	7 Å²	7	71.8 Å²	71.8	4%	0.037	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-70.9	-18.1	-178.4	-71.9	178.2	0	0	0	113.7	E29 Q30 C35 F171 R172 L175	E29-L32 HydrophobicContact CB-CD1 3.67Å; E29-L32 HydrophobicContact CB-CG 3.7Å; E29-L32 HydrophobicContact CG-CD1 4.35Å; E29-L32 PolarHBondContact O-N 3.45Å; E29-L32 VanDerWaalsContact OE2-CD1 3.26Å; E29-L32 WeakPolarHBondContact OE2-CD1 3.3Å; E29-L32 VanDerWaalsContact OE2-CD2 3.26Å; E29-L32 WeakPolarHBondContact OE2-CD2 3.25Å; E29-L32 WeakPolarHBondContact OE2-CG 3.35Å; Q30-L32 PolarHBondContact O-N 3.12Å; L32-C35 PolarHBondContact O-SG 3.44Å; L32-C35 VanDerWaalsContact O-SG 3.33Å; L32-F171 HydrophobicContact CD1-CB 4.04Å; L32-R172 HydrophobicContact CD2-CG 3.43Å; L32-R172 VanDerWaalsContact CD2-CG 3.43Å; L32-R172 VanDerWaalsContact CD2-NE 3.26Å; L32-L175 HydrophobicContact CB-CD1 3.71Å; L32-L175 HydrophobicContact CD1-CD1 4.3Å
33	K	65.5	Low	70.8	Confident	41 Å²	41	67 Å²	67	18%	0.178	38%	0.38	C	S	.	.	S	Bend	trans	-92.6	-29.6	-165.9	-58.3	170.9	179.9	-178.2	0	112.7	A9 P10 A11 N31 C35	A9-K33 HydrophobicContact CB-CD 4.09Å; A9-K33 HydrophobicContact CB-CG 3.89Å; A9-K33 WeakPolarHBondContact O-CD 3.33Å; P10-K33 PolarHBondContact O-NZ 3.15Å; A11-K33 PolarHBondContact O-NZ 3.41Å; N31-K33 PolarHBondContact O-N 3Å; K33-C35 PolarHBondContact O-N 3.25Å
34	E	71.4	Confident	72.1	Confident	106 Å²	106	73.1 Å²	73.1	50%	0.495	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.8	-171.1	-75.1	-152.1	-148.6	0	0	115.6	R4 Y37	R4-E34 IonicContact CZ-OE2 2.64Å; R4-E34 PolarHBondContact NE-O 3.31Å; R4-E34 IonicContact NH1-OE2 3.09Å; R4-E34 PolarHBondContact NH1-OE2 3.29Å; R4-E34 PolarHBondContact NH2-O 2.88Å; R4-E34 IonicContact NH2-OE2 3.26Å; R4-E34 PolarHBondContact NH2-OE2 3.05Å; E34-Y37 PolarHBondContact O-OH 3.15Å
35	C	83.5	Confident	73.2	Confident	14 Å²	14	74.2 Å²	74.2	10%	0.095	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	10.7	-171.4	40.2	0	0	0	0	113.3	L32 K33 Y37 S52 T53 C54	L32-C35 PolarHBondContact O-SG 3.44Å; L32-C35 VanDerWaalsContact O-SG 3.33Å; K33-C35 PolarHBondContact O-N 3.25Å; C35-Y37 VanDerWaalsContact C-CE2 3.4Å; C35-Y37 VanDerWaalsContact O-CD2 3.25Å; C35-Y37 WeakPolarHBondContact O-CD2 3.49Å; C35-Y37 VanDerWaalsContact O-CE2 3.25Å; C35-Y37 WeakPolarHBondContact O-CE2 3.4Å; C35-S52 CarbonylContact O-C 3.58Å; C35-S52 VanDerWaalsContact O-CA 3.27Å; C35-S52 WeakPolarHBondContact O-CA 3.13Å; C35-T53 PolarHBondContact O-N 3.34Å; C35-C54 HydrophobicContact CB-CB 3.86Å; C35-C54 WeakPolarHBondContact CB-SG 3.37Å; C35-C54 WeakPolarHBondContact SG-CA 3.12Å; C35-C54 WeakPolarHBondContact SG-CB 3.32Å; C35-C54 CovalentContact SG-SG 2.01Å; C35-C54 PolarHBondContact SG-SG 3.26Å
36	L	88.3	Confident	74.4	Confident	2 Å²	2	79.4 Å²	79.4	1%	0.01	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	135.2	178.6	-57.2	173	0	0	0	110.7	P5 L8 L175 N179	P5-L36 WeakPolarHBondContact CD-O 3.49Å; P5-L36 HydrophobicContact CG-CB 4.34Å; L8-L36 HydrophobicContact CD2-CB 4.31Å; L8-L36 HydrophobicContact CD2-CD1 3.58Å; L36-L175 HydrophobicContact CD1-CB 4.09Å; L36-L175 HydrophobicContact CD1-CD2 4.03Å; L36-L175 HydrophobicContact CD1-CG 4.49Å; L36-N179 HydrophobicContact CD2-CB 4.46Å
37	Y	90.2	Very high	75.9	Confident	50 Å²	50	75 Å²	75	20%	0.196	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	139.6	-173	-59.9	-86.4	0	0	0	112.4	L2 Q3 R4 E34 C35 A50 L51 T53	L2-Y37 HydrophobicContact CB-CD1 4.26Å; L2-Y37 HydrophobicContact CB-CG 4.46Å; Q3-Y37 WeakPolarHBondContact O-CA 3.12Å; R4-Y37 HydrophobicContact CG-CD1 3.91Å; R4-Y37 HydrophobicContact CG-CE1 3.64Å; E34-Y37 PolarHBondContact O-OH 3.15Å; C35-Y37 VanDerWaalsContact C-CE2 3.4Å; C35-Y37 VanDerWaalsContact O-CD2 3.25Å; C35-Y37 WeakPolarHBondContact O-CD2 3.49Å; C35-Y37 VanDerWaalsContact O-CE2 3.25Å; C35-Y37 WeakPolarHBondContact O-CE2 3.4Å; Y37-A50 CarbonylContact O-C 3.48Å; Y37-A50 WeakPolarHBondContact O-CA 3.17Å; Y37-L51 PolarHBondContact N-O 2.77Å; Y37-L51 PolarHBondContact O-N 3.21Å; Y37-T53 HydrophobicContact CD2-CG2 4.22Å; Y37-T53 HydrophobicContact CE2-CG2 4.02Å
38	H	90.5	Very high	77.5	Confident	5 Å²	5	74 Å²	74	2%	0.023	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	153.4	165.8	-75.8	-174.3	0	0	0	111.1	L2 Q3 V49 N179 D182 L183 R186	L2-H38 CarbonylContact C-O 3.51Å; L2-H38 WeakPolarHBondContact CA-O 3.47Å; Q3-H38 PolarHBondContact N-O 2.93Å; Q3-H38 PolarHBondContact O-N 3.46Å; H38-V49 CarbonylContact C-O 3.57Å; H38-V49 VanDerWaalsContact CA-O 3.24Å; H38-V49 WeakPolarHBondContact CA-O 3.17Å; H38-N179 PolarHBondContact CD2-OD1 3.02Å; H38-N179 PolarHBondContact NE2-O 3.33Å; H38-N179 PolarHBondContact NE2-OD1 2.74Å; H38-D182 IonicContact CE1-OD2 3.21Å; H38-D182 PolarHBondContact CE1-OD2 3.45Å; H38-D182 IonicContact ND1-OD2 3.61Å; H38-L183 HydrophobicContact CB-CD2 4.44Å; H38-R186 PolarHBondContact ND1-NH1 3.22Å
39	G	90.5	Very high	79.6	Confident	17 Å²	17	69 Å²	69	18%	0.175	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	-157.1	170.3	0	0	0	0	0	113.4	M1 S48 V49	M1-G39 WeakPolarHBondContact O-CA 3.44Å; G39-S48 CarbonylContact O-C 3.58Å; G39-S48 WeakPolarHBondContact O-CA 3.41Å; G39-V49 PolarHBondContact N-O 2.93Å; G39-V49 PolarHBondContact O-N 3.28Å
40	E	89.8	Confident	81.4	Confident	130 Å²	130	66.6 Å²	66.6	61%	0.607	35%	0.354	S	S	*	.			trans	-133.2	151.6	179.6	-55	-173.1	163.9	0	0	110.3	S47	E40-S47 WeakPolarHBondContact CG-O 3.15Å
41	V	89.6	Confident	83.5	Confident	51 Å²	51	60.5 Å²	60.5	31%	0.309	33%	0.326	S	S	.	.			trans	-80.1	121.2	174.2	-178.4	0	0	0	0	108.9	G43 R44 S47 V49 V61 L63	V41-G43 PolarHBondContact O-N 3.06Å; V41-R44 HydrophobicContact CB-CB 4.07Å; V41-R44 HydrophobicContact CB-CG 4.26Å; V41-R44 HydrophobicContact CG1-CB 4.2Å; V41-R44 HydrophobicContact CG1-CG 3.84Å; V41-R44 PolarHBondContact O-N 3.08Å; V41-S47 WeakPolarHBondContact CB-OG 3.33Å; V41-S47 PolarHBondContact N-OG 3.04Å; V41-S47 PolarHBondContact O-OG 2.79Å; V41-V49 HydrophobicContact CG2-CG1 3.61Å; V41-V61 HydrophobicContact CG2-CG1 3.93Å; V41-L63 HydrophobicContact CB-CD2 4.34Å; V41-L63 HydrophobicContact CG2-CD2 3.96Å
42	V	88.1	Confident	85.1	Confident	132 Å²	132	54.5 Å²	54.5	80%	0.8	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	132.8	-180	179.8	0	0	0	0	110.3	R44	V42-R44 PolarHBondContact O-N 3.03Å
43	G	87.8	Confident	86.3	Confident	82 Å²	82	57.4 Å²	57.4	85%	0.845	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	2.5	-178.7	0	0	0	0	0	115.2	V41	V41-G43 PolarHBondContact O-N 3.06Å
44	R	85.1	Confident	87	Confident	159 Å²	159	57.2 Å²	57.2	60%	0.6	32%	0.315	S	S	*	.			trans	-118.1	99.1	176.4	-62.4	-66.7	-171.3	163.8	-1	110.3	V41 V42 S47	V41-R44 HydrophobicContact CB-CB 4.07Å; V41-R44 HydrophobicContact CB-CG 4.26Å; V41-R44 HydrophobicContact CG1-CB 4.2Å; V41-R44 HydrophobicContact CG1-CG 3.84Å; V41-R44 PolarHBondContact O-N 3.08Å; V42-R44 PolarHBondContact O-N 3.03Å; R44-S47 WeakPolarHBondContact O-CB 3.32Å; R44-S47 PolarHBondContact O-N 2.8Å; R44-S47 PolarHBondContact O-OG 3.19Å
45	S	79.6	Confident	87.3	Confident	96 Å²	96	56.7 Å²	56.7	67%	0.671	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	144.3	174.6	59	0	0	0	0	111.2	S47	S45-S47 PolarHBondContact O-N 2.85Å; S45-S47 VanDerWaalsContact O-N 3.16Å
46	R	78.2	Confident	87.2	Confident	189 Å²	189	57.2 Å²	57.2	71%	0.713	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	20.9	-177.3	-52.7	176.4	172.4	169.8	-3.6	114.4	E64	R46-E64 IonicContact NH1-OE1 3.17Å
47	S	87.2	Confident	87.3	Confident	3 Å²	3	60 Å²	60	2%	0.021	34%	0.338	C	S	.	.			trans	-80.7	151.6	167.8	63.3	0	0	0	0	110	E40 V41 R44 S45 I62	E40-S47 WeakPolarHBondContact CG-O 3.15Å; V41-S47 WeakPolarHBondContact CB-OG 3.33Å; V41-S47 PolarHBondContact N-OG 3.04Å; V41-S47 PolarHBondContact O-OG 2.79Å; R44-S47 WeakPolarHBondContact O-CB 3.32Å; R44-S47 PolarHBondContact O-N 2.8Å; R44-S47 PolarHBondContact O-OG 3.19Å; S45-S47 PolarHBondContact O-N 2.85Å; S45-S47 VanDerWaalsContact O-N 3.16Å; S47-I62 CarbonylContact C-O 3.57Å; S47-I62 VanDerWaalsContact CA-O 3.24Å; S47-I62 WeakPolarHBondContact CA-O 3.18Å
48	S	89.6	Confident	87.3	Confident	34 Å²	34	58.2 Å²	58.2	24%	0.238	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144.2	170.2	49.2	0	0	0	0	109.2	G39 I62	G39-S48 CarbonylContact O-C 3.58Å; G39-S48 WeakPolarHBondContact O-CA 3.41Å; S48-I62 PolarHBondContact N-O 2.88Å; S48-I62 PolarHBondContact O-N 2.77Å
49	V	92.5	Very high	87.3	Confident	6 Å²	6	58.3 Å²	58.3	4%	0.036	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.5	178.4	-53.1	0	0	0	0	110.1	L2 H38 G39 V41 L51 T60 V61	L2-V49 HydrophobicContact CD2-CG2 3.56Å; H38-V49 CarbonylContact C-O 3.57Å; H38-V49 VanDerWaalsContact CA-O 3.24Å; H38-V49 WeakPolarHBondContact CA-O 3.17Å; G39-V49 PolarHBondContact N-O 2.93Å; G39-V49 PolarHBondContact O-N 3.28Å; V41-V49 HydrophobicContact CG2-CG1 3.61Å; V49-L51 HydrophobicContact CB-CD1 4.31Å; V49-L51 HydrophobicContact CB-CG 4.13Å; V49-L51 HydrophobicContact CG2-CD1 4.04Å; V49-L51 HydrophobicContact CG2-CG 4.19Å; V49-T60 VanDerWaalsContact CA-O 3.3Å; V49-T60 WeakPolarHBondContact CA-O 3Å; V49-V61 HydrophobicContact CB-CG2 4.49Å; V49-V61 HydrophobicContact CG1-CB 4.25Å; V49-V61 HydrophobicContact CG1-CG1 3.99Å; V49-V61 HydrophobicContact CG1-CG2 3.95Å
50	A	93.2	Very high	87.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	107.7	168.8	0	0	0	0	0	105.8	Y37 G59 T60 L183	Y37-A50 CarbonylContact O-C 3.48Å; Y37-A50 WeakPolarHBondContact O-CA 3.17Å; A50-G59 CarbonylContact O-C 3.49Å; A50-G59 VanDerWaalsContact O-CA 3.29Å; A50-G59 WeakPolarHBondContact O-CA 2.93Å; A50-T60 PolarHBondContact N-O 2.64Å; A50-T60 PolarHBondContact O-N 2.88Å; A50-L183 HydrophobicContact CB-CD1 3.3Å; A50-L183 HydrophobicContact CB-CG 3.81Å
51	L	93.1	Very high	87.4	Confident	17 Å²	17	51.9 Å²	51.9	9%	0.089	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.3	-172.9	-61.2	176.5	0	0	0	109.9	L2 Y37 V49 L57 S58 V61 I70 N179	L2-L51 HydrophobicContact CD1-CD1 4.29Å; L2-L51 HydrophobicContact CD2-CD1 4.17Å; Y37-L51 PolarHBondContact N-O 2.77Å; Y37-L51 PolarHBondContact O-N 3.21Å; V49-L51 HydrophobicContact CB-CD1 4.31Å; V49-L51 HydrophobicContact CB-CG 4.13Å; V49-L51 HydrophobicContact CG2-CD1 4.04Å; V49-L51 HydrophobicContact CG2-CG 4.19Å; L51-L57 HydrophobicContact CB-CD1 4.31Å; L51-L57 HydrophobicContact CD1-CD1 4.35Å; L51-S58 CarbonylContact C-O 3.55Å; L51-S58 WeakPolarHBondContact CA-O 3.16Å; L51-V61 HydrophobicContact CD2-CG2 4.38Å; L51-I70 HydrophobicContact CD2-CD1 3.79Å; L51-N179 PolarHBondContact O-ND2 3.18Å; L51-N179 VanDerWaalsContact O-ND2 3.09Å
52	S	89.8	Confident	87.2	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138	171.5	172.4	0	0	0	0	108.7	C35 C54 L57 S58 D176	C35-S52 CarbonylContact O-C 3.58Å; C35-S52 VanDerWaalsContact O-CA 3.27Å; C35-S52 WeakPolarHBondContact O-CA 3.13Å; S52-C54 PolarHBondContact OG-N 3.43Å; S52-C54 PolarHBondContact OG-SG 2.86Å; S52-L57 WeakPolarHBondContact O-CA 3.35Å; S52-S58 WeakPolarHBondContact CB-OG 3.46Å; S52-S58 PolarHBondContact N-O 3.45Å; S52-S58 PolarHBondContact O-N 3.01Å; S52-D176 WeakPolarHBondContact CB-OD1 3.13Å; S52-D176 PolarHBondContact OG-OD1 3.37Å
53	T	88.1	Confident	86.9	Confident	68 Å²	68	45.3 Å²	45.3	42%	0.417	26%	0.26	S	S	.	.			trans	-115	13.8	174.4	66.1	0	0	0	0	111.9	C35 Y37 N55 G56 L57	C35-T53 PolarHBondContact O-N 3.34Å; Y37-T53 HydrophobicContact CD2-CG2 4.22Å; Y37-T53 HydrophobicContact CE2-CG2 4.02Å; T53-N55 VanDerWaalsContact C-N 3.31Å; T53-N55 PolarHBondContact O-N 2.65Å; T53-G56 CarbonylContact C-O 3.6Å; T53-G56 WeakPolarHBondContact CA-O 3.44Å; T53-L57 HydrophobicContact CG2-CD1 4.2Å
54	C	80	Confident	86.2	Confident	38 Å²	38	45 Å²	45	26%	0.257	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-33.9	-169.8	-54.2	0	0	0	0	112.8	C35 S52	C35-C54 HydrophobicContact CB-CB 3.86Å; C35-C54 WeakPolarHBondContact CB-SG 3.37Å; C35-C54 WeakPolarHBondContact SG-CA 3.12Å; C35-C54 WeakPolarHBondContact SG-CB 3.32Å; C35-C54 CovalentContact SG-SG 2.01Å; C35-C54 PolarHBondContact SG-SG 3.26Å; S52-C54 PolarHBondContact OG-N 3.43Å; S52-C54 PolarHBondContact OG-SG 2.86Å
55	N	78.6	Confident	85.6	Confident	95 Å²	95	44.2 Å²	44.2	51%	0.508	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-150	66.6	179.2	-170.9	14.2	0	0	0	109.8	T53	T53-N55 VanDerWaalsContact C-N 3.31Å; T53-N55 PolarHBondContact O-N 2.65Å
56	G	82.2	Confident	85.6	Confident	25 Å²	25	40.7 Å²	40.7	26%	0.258	21%	0.207	S	C	.	.	S	Bend	trans	81.8	169.4	-164.5	0	0	0	0	0	112.1	T53 S58	T53-G56 CarbonylContact C-O 3.6Å; T53-G56 WeakPolarHBondContact CA-O 3.44Å; G56-S58 PolarHBondContact O-N 2.87Å
57	L	89	Confident	85.7	Confident	61 Å²	61	31.8 Å²	31.8	32%	0.319	17%	0.173	S	C	.	.	S	Bend	trans	-75.4	117.5	179.3	-172	65.8	0	0	0	110.2	L51 S52 T53 I70 H86	L51-L57 HydrophobicContact CB-CD1 4.31Å; L51-L57 HydrophobicContact CD1-CD1 4.35Å; S52-L57 WeakPolarHBondContact O-CA 3.35Å; T53-L57 HydrophobicContact CG2-CD1 4.2Å; L57-I70 HydrophobicContact CB-CG2 4.37Å; L57-I70 HydrophobicContact CD2-CD1 3.91Å; L57-I70 HydrophobicContact CD2-CG2 4.22Å; L57-I70 HydrophobicContact CG-CD1 4.19Å; L57-I70 HydrophobicContact CG-CG2 4.04Å; L57-I70 VanDerWaalsContact O-CG2 3.26Å; L57-I70 WeakPolarHBondContact O-CG2 3.26Å; L57-H86 PolarHBondContact N-NE2 3Å; L57-H86 VanDerWaalsContact N-NE2 3.14Å; L57-H86 PolarHBondContact O-CD2 3.05Å
58	S	90.4	Very high	85.7	Confident	12 Å²	12	33.7 Å²	33.7	8%	0.084	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	166.7	169.4	68.4	0	0	0	0	110.8	L51 S52 G56 I70 D176	L51-S58 CarbonylContact C-O 3.55Å; L51-S58 WeakPolarHBondContact CA-O 3.16Å; S52-S58 WeakPolarHBondContact CB-OG 3.46Å; S52-S58 PolarHBondContact N-O 3.45Å; S52-S58 PolarHBondContact O-N 3.01Å; G56-S58 PolarHBondContact O-N 2.87Å; S58-I70 CarbonylContact C-O 3.47Å; S58-I70 VanDerWaalsContact CA-O 3.27Å; S58-I70 WeakPolarHBondContact CA-O 2.98Å; S58-D176 PolarHBondContact OG-OD2 3.35Å
59	G	91.2	Very high	85.5	Confident	6 Å²	6	32.8 Å²	32.8	6%	0.062	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.7	-156.6	166.1	0	0	0	0	0	114.5	A50 M69 I70	A50-G59 CarbonylContact O-C 3.49Å; A50-G59 VanDerWaalsContact O-CA 3.29Å; A50-G59 WeakPolarHBondContact O-CA 2.93Å; G59-M69 CarbonylContact O-C 3.34Å; G59-M69 VanDerWaalsContact O-CA 3.29Å; G59-M69 WeakPolarHBondContact O-CA 3.46Å; G59-I70 PolarHBondContact N-O 3.46Å; G59-I70 PolarHBondContact O-N 2.76Å
60	T	90.8	Very high	85.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.6	-164.9	-50.1	0	0	0	0	110.8	V49 A50 I62 V67 T180 V273	V49-T60 VanDerWaalsContact CA-O 3.3Å; V49-T60 WeakPolarHBondContact CA-O 3Å; A50-T60 PolarHBondContact N-O 2.64Å; A50-T60 PolarHBondContact O-N 2.88Å; T60-I62 HydrophobicContact CG2-CG1 4.01Å; T60-V67 HydrophobicContact CG2-CG1 3.61Å; T60-T180 HydrophobicContact CG2-CG2 4.05Å; T60-T180 PolarHBondContact OG1-OG1 3.35Å; T60-V273 HydrophobicContact CG2-CG2 3.59Å; T60-V273 WeakPolarHBondContact OG1-CG2 3.18Å
61	V	90.6	Very high	85.1	Confident	13 Å²	13	35.4 Å²	35.4	8%	0.079	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	109.8	173.9	177.2	0	0	0	0	108.7	V41 V49 L51 L63 V67 Y68 I70 F88	V41-V61 HydrophobicContact CG2-CG1 3.93Å; V49-V61 HydrophobicContact CB-CG2 4.49Å; V49-V61 HydrophobicContact CG1-CB 4.25Å; V49-V61 HydrophobicContact CG1-CG1 3.99Å; V49-V61 HydrophobicContact CG1-CG2 3.95Å; L51-V61 HydrophobicContact CD2-CG2 4.38Å; V61-L63 HydrophobicContact CG1-CD2 3.93Å; V61-L63 HydrophobicContact CG1-CG 4.22Å; V61-V67 CarbonylContact O-C 3.45Å; V61-V67 WeakPolarHBondContact O-CA 3.47Å; V61-Y68 PolarHBondContact N-O 3.2Å; V61-Y68 PolarHBondContact O-N 3.49Å; V61-I70 HydrophobicContact CG2-CD1 4.17Å; V61-F88 HydrophobicContact CG2-CE2 4.37Å
62	I	85.4	Confident	84.7	Confident	13 Å²	13	36.6 Å²	36.6	7%	0.067	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	114.1	176.9	-55.1	173	0	0	0	107.9	S47 S48 T60 V67 L183 F184	S47-I62 CarbonylContact C-O 3.57Å; S47-I62 VanDerWaalsContact CA-O 3.24Å; S47-I62 WeakPolarHBondContact CA-O 3.18Å; S48-I62 PolarHBondContact N-O 2.88Å; S48-I62 PolarHBondContact O-N 2.77Å; T60-I62 HydrophobicContact CG2-CG1 4.01Å; I62-V67 HydrophobicContact CG1-CG1 4.18Å; I62-V67 HydrophobicContact CG1-CG2 4.27Å; I62-V67 HydrophobicContact CG2-CG2 4.36Å; I62-L183 HydrophobicContact CD1-CD1 4.39Å; I62-F184 HydrophobicContact CD1-CD1 4.28Å; I62-F184 HydrophobicContact CD1-CE1 3.61Å; I62-F184 HydrophobicContact CD1-CZ 4.24Å
63	L	83.4	Confident	84.1	Confident	32 Å²	32	40.3 Å²	40.3	17%	0.168	22%	0.216	C	C	.	.			trans	-102	168.7	168.6	-55.5	-174.1	0	0	0	109.6	V41 V61 R65 N66 Y68	V41-L63 HydrophobicContact CB-CD2 4.34Å; V41-L63 HydrophobicContact CG2-CD2 3.96Å; V61-L63 HydrophobicContact CG1-CD2 3.93Å; V61-L63 HydrophobicContact CG1-CG 4.22Å; L63-R65 PolarHBondContact O-N 3.01Å; L63-N66 PolarHBondContact N-O 3.2Å; L63-N66 PolarHBondContact O-N 3.22Å; L63-Y68 HydrophobicContact CD1-CD2 4.26Å; L63-Y68 HydrophobicContact CD1-CE2 3.7Å; L63-Y68 HydrophobicContact CG-CD2 4.38Å; L63-Y68 HydrophobicContact CG-CE2 4.19Å
64	E	72.6	Confident	83.1	Confident	76 Å²	76	46 Å²	46	36%	0.355	24%	0.235	S	C	.	.	S	Bend	trans	-51.1	-29.9	-178.4	-167.8	-176.3	-164.3	0	0	114	R46 R322	R46-E64 IonicContact NH1-OE1 3.17Å; E64-R322 VanDerWaalsContact CD-NH1 3.32Å; E64-R322 IonicContact OE1-CZ 3.49Å; E64-R322 IonicContact OE1-NH1 3.98Å; E64-R322 PolarHBondContact OE1-NH1 3.15Å
65	R	72.7	Confident	82.1	Confident	142 Å²	142	48.7 Å²	48.7	54%	0.536	24%	0.244	S	C	.	.	S	Bend	trans	-121	-12.7	-176.3	-54.4	-160.6	176.7	-154	-0.2	116.3	L63 R322 R323	L63-R65 PolarHBondContact O-N 3.01Å; R65-R322 HydrophobicContact CB-CB 4.43Å; R65-R322 HydrophobicContact CB-CG 4.44Å; R65-R322 HydrophobicContact CG-CB 4.4Å; R65-R322 HydrophobicContact CG-CG 3.92Å; R65-R323 WeakPolarHBondContact O-CB 3.25Å; R65-R323 PolarHBondContact O-N 3.06Å
66	N	78.4	Confident	81	Confident	22 Å²	22	55.8 Å²	55.8	12%	0.118	26%	0.263	C	S	.	.			trans	-148.6	143.8	-166.3	-64	-55.7	0	0	0	110.1	L63 Y68 R90 R323	L63-N66 PolarHBondContact N-O 3.2Å; L63-N66 PolarHBondContact O-N 3.22Å; N66-Y68 HydrophobicContact CB-CD2 4.14Å; N66-Y68 HydrophobicContact CB-CE2 3.38Å; N66-R90 VanDerWaalsContact CG-NH2 3.35Å; N66-R90 PolarHBondContact ND2-NH2 2.74Å; N66-R90 VanDerWaalsContact OD1-CZ 3.23Å; N66-R90 PolarHBondContact OD1-NE 3.5Å; N66-R90 PolarHBondContact OD1-NH2 3.04Å; N66-R323 PolarHBondContact OD1-NH1 3.46Å
67	V	81	Confident	79.4	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.2	167.1	-173	0	0	0	0	107.9	T60 V61 I62 L91 R323 Y325	T60-V67 HydrophobicContact CG2-CG1 3.61Å; V61-V67 CarbonylContact O-C 3.45Å; V61-V67 WeakPolarHBondContact O-CA 3.47Å; I62-V67 HydrophobicContact CG1-CG1 4.18Å; I62-V67 HydrophobicContact CG1-CG2 4.27Å; I62-V67 HydrophobicContact CG2-CG2 4.36Å; V67-L91 HydrophobicContact CB-CB 4.34Å; V67-L91 HydrophobicContact CB-CD1 3.98Å; V67-L91 HydrophobicContact CG1-CD1 3.7Å; V67-L91 WeakPolarHBondContact O-CB 3.4Å; V67-L91 PolarHBondContact O-N 3.22Å; V67-R323 WeakPolarHBondContact CG2-O 3.07Å; V67-Y325 HydrophobicContact CG2-CD2 4.34Å
68	Y	86.3	Confident	77.4	Confident	43 Å²	43	60.9 Å²	60.9	17%	0.169	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.4	174.8	-58.7	-102.8	0	0	0	109.2	V61 L63 N66 F88 I89 R90	V61-Y68 PolarHBondContact N-O 3.2Å; V61-Y68 PolarHBondContact O-N 3.49Å; L63-Y68 HydrophobicContact CD1-CD2 4.26Å; L63-Y68 HydrophobicContact CD1-CE2 3.7Å; L63-Y68 HydrophobicContact CG-CD2 4.38Å; L63-Y68 HydrophobicContact CG-CE2 4.19Å; N66-Y68 HydrophobicContact CB-CD2 4.14Å; N66-Y68 HydrophobicContact CB-CE2 3.38Å; Y68-F88 VanDerWaalsContact CB-CZ 3.42Å; Y68-F88 HydrophobicContact CD1-CD1 4.11Å; Y68-F88 AromaticContact CD1-CE1 3.46Å; Y68-F88 HydrophobicContact CD1-CE1 3.46Å; Y68-F88 VanDerWaalsContact CD1-CE1 3.46Å; Y68-F88 HydrophobicContact CD1-CE2 4.17Å; Y68-F88 AromaticContact CD1-CZ 3.51Å; Y68-F88 HydrophobicContact CD1-CZ 3.51Å; Y68-F88 HydrophobicContact CD2-CZ 4.13Å; Y68-F88 AromaticContact CE1-CE1 3.93Å; Y68-F88 HydrophobicContact CE1-CE1 3.93Å; Y68-F88 HydrophobicContact CE1-CZ 4.28Å; Y68-F88 AromaticContact CG-CE1 3.91Å; Y68-F88 HydrophobicContact CG-CE1 3.91Å; Y68-F88 AromaticContact CG-CE2 3.93Å; Y68-F88 HydrophobicContact CG-CE2 3.93Å; Y68-F88 AromaticContact CG-CZ 3.43Å; Y68-F88 HydrophobicContact CG-CZ 3.43Å; Y68-F88 VanDerWaalsContact CG-CZ 3.43Å; Y68-I89 CarbonylContact C-O 3.52Å; Y68-I89 WeakPolarHBondContact CA-O 3.35Å; Y68-R90 HydrophobicContact CD1-CB 3.73Å; Y68-R90 HydrophobicContact CD1-CG 4.16Å; Y68-R90 HydrophobicContact CE1-CB 3.64Å; Y68-R90 HydrophobicContact CE1-CG 3.81Å
69	M	86.3	Confident	75.5	Confident	15 Å²	15	67 Å²	67	7%	0.074	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.7	173.7	-50.8	128.6	91.7	0	0	109.4	G59 F88 I89 L91 H271 V273 Y274	G59-M69 CarbonylContact O-C 3.34Å; G59-M69 VanDerWaalsContact O-CA 3.29Å; G59-M69 WeakPolarHBondContact O-CA 3.46Å; M69-F88 CarbonylContact O-C 3.55Å; M69-F88 WeakPolarHBondContact O-CA 3.36Å; M69-I89 PolarHBondContact N-O 3.03Å; M69-I89 PolarHBondContact O-N 3.18Å; M69-L91 HydrophobicContact CE-CD2 3.78Å; M69-L91 HydrophobicContact CE-CG 4.48Å; M69-L91 HydrophobicContact CG-CD1 4.13Å; M69-L91 HydrophobicContact CG-CD2 4.31Å; M69-L91 HydrophobicContact CG-CG 4Å; M69-L91 HydrophobicContact SD-CD1 3.91Å; M69-L91 HydrophobicContact SD-CD2 3.07Å; M69-L91 WeakPolarHBondContact SD-CD2 3.26Å; M69-L91 HydrophobicContact SD-CG 3.29Å; M69-L91 WeakPolarHBondContact SD-CG 3.39Å; M69-H271 HydrophobicContact CE-CB 3.6Å; M69-H271 WeakPolarHBondContact CE-CD2 3.41Å; M69-H271 WeakPolarHBondContact CE-CE1 3.46Å; M69-H271 WeakPolarHBondContact CE-ND1 3.33Å; M69-H271 WeakPolarHBondContact CE-NE2 3.49Å; M69-H271 VanDerWaalsContact CG-CE1 3.49Å; M69-H271 WeakPolarHBondContact CG-CE1 3.47Å; M69-V273 HydrophobicContact CG-CG2 4.06Å; M69-Y274 HydrophobicContact CE-CE2 4.38Å
70	I	90.3	Very high	73.7	Confident	18 Å²	18	70.3 Å²	70.3	9%	0.092	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.2	169	-52.3	173.7	0	0	0	106.6	L51 L57 S58 G59 V61 H86 L87 F88	L51-I70 HydrophobicContact CD2-CD1 3.79Å; L57-I70 HydrophobicContact CB-CG2 4.37Å; L57-I70 HydrophobicContact CD2-CD1 3.91Å; L57-I70 HydrophobicContact CD2-CG2 4.22Å; L57-I70 HydrophobicContact CG-CD1 4.19Å; L57-I70 HydrophobicContact CG-CG2 4.04Å; L57-I70 VanDerWaalsContact O-CG2 3.26Å; L57-I70 WeakPolarHBondContact O-CG2 3.26Å; S58-I70 CarbonylContact C-O 3.47Å; S58-I70 VanDerWaalsContact CA-O 3.27Å; S58-I70 WeakPolarHBondContact CA-O 2.98Å; G59-I70 PolarHBondContact N-O 3.46Å; G59-I70 PolarHBondContact O-N 2.76Å; V61-I70 HydrophobicContact CG2-CD1 4.17Å; I70-H86 HydrophobicContact CG2-CB 3.85Å; I70-L87 VanDerWaalsContact CA-O 3.29Å; I70-L87 WeakPolarHBondContact CA-O 3.29Å; I70-F88 HydrophobicContact CG1-CD2 3.76Å; I70-F88 HydrophobicContact CG1-CE2 4.08Å
71	S	86.1	Confident	72.1	Confident	44 Å²	44	79 Å²	79	31%	0.308	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.5	176.2	-174.6	0	0	0	0	110.7	H86 L87	S71-H86 WeakPolarHBondContact O-CA 3.18Å; S71-L87 PolarHBondContact N-O 3Å; S71-L87 PolarHBondContact O-N 2.86Å
72	P	85.3	Confident	70.6	Confident	41 Å²	41	83.7 Å²	83.7	27%	0.266	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.9	176.5	25.9	-31.3	0	0	0	110.7	H84	P72-H84 WeakPolarHBondContact CB-NE2 3.36Å
73	M	77.4	Confident	69.3	Low	82 Å²	82	86.1 Å²	86.1	40%	0.404	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-95.2	134.3	176.4	-63.1	-176.5	71.9	0	0	111.1	H75 P85 L87	M73-H75 PolarHBondContact O-N 2.69Å; M73-P85 HydrophobicContact CB-CG 4.21Å; M73-P85 PolarHBondContact N-O 2.93Å; M73-P85 HydrophobicContact SD-CB 4.41Å; M73-L87 HydrophobicContact CE-CD2 4.41Å; M73-L87 HydrophobicContact CG-CD1 4.11Å; M73-L87 HydrophobicContact CG-CD2 4.44Å; M73-L87 HydrophobicContact CG-CG 3.74Å; M73-L87 HydrophobicContact SD-CD1 4.3Å; M73-L87 HydrophobicContact SD-CD2 3.7Å; M73-L87 HydrophobicContact SD-CG 3.67Å
74	K	67.9	Low	68.7	Low	188 Å²	188	88.3 Å²	88.3	82%	0.817	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-68.7	120.3	171.4	-67.7	-174.8	179	-178.3	0	109.8	R76	K74-R76 PolarHBondContact O-N 2.82Å
75	H	58.7	Low	69.1	Low	93 Å²	93	87.6 Å²	87.6	43%	0.431	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-71.9	121.8	176.8	-143.7	-50	0	0	0	109.2	M73 V77 S83	M73-H75 PolarHBondContact O-N 2.69Å; H75-V77 PolarHBondContact CE1-O 3.24Å; H75-V77 VanDerWaalsContact CE1-O 3.24Å; H75-V77 PolarHBondContact ND1-O 2.9Å; H75-S83 PolarHBondContact CD2-O 2.73Å
76	R	55.2	Low	69.7	Low	244 Å²	244	84.4 Å²	84.4	92%	0.921	45%	0.45	S	S	*	.	S	Bend	trans	-74.4	-37.1	177.2	-79.5	-167.5	174.9	-163.2	-1.1	112.8	K74	K74-R76 PolarHBondContact O-N 2.82Å
77	V	47.8	Very low	70.1	Confident	129 Å²	129	87 Å²	87	78%	0.782	46%	0.464	S	S	*	.	S	Bend	trans	-154.6	103.4	-175.6	-174.5	0	0	0	0	109.5	H75	H75-V77 PolarHBondContact CE1-O 3.24Å; H75-V77 VanDerWaalsContact CE1-O 3.24Å; H75-V77 PolarHBondContact ND1-O 2.9Å
78	S	47.1	Very low	70.4	Confident	64 Å²	64	92.9 Å²	92.9	45%	0.448	49%	0.489	S	S	.	.			trans	-177.9	130.6	150.5	-172.3	0	0	0	0	110.2	T80	S78-T80 PolarHBondContact O-N 3.43Å; S78-T80 PolarHBondContact OG-N 2.9Å; S78-T80 PolarHBondContact OG-OG1 3.35Å
79	T	51.6	Low	70.3	Confident	140 Å²	140	94.7 Å²	94.7	86%	0.859	50%	0.501	S	S	*	.			trans	-78.8	1.6	178.7	44.7	0	0	0	0	113.7
80	T	53.3	Low	70.1	Confident	77 Å²	77	99.4 Å²	99.4	47%	0.472	52%	0.518	S	S	.	.			trans	-94.7	104.8	178.9	58	0	0	0	0	110.4	S78 S82	S78-T80 PolarHBondContact O-N 3.43Å; S78-T80 PolarHBondContact OG-N 2.9Å; S78-T80 PolarHBondContact OG-OG1 3.35Å; T80-S82 PolarHBondContact O-N 3.05Å
81	L	56.7	Low	69.2	Low	181 Å²	181	99.2 Å²	99.2	95%	0.948	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-4.3	177	-82.8	89.8	0	0	0	115.1
82	S	58.3	Low	68.1	Low	112 Å²	112	106.3 Å²	106.3	78%	0.783	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-18.5	-169.4	73.4	0	0	0	0	115.7	T80	T80-S82 PolarHBondContact O-N 3.05Å
83	S	59.6	Low	66.7	Low	64 Å²	64	105.8 Å²	105.8	45%	0.448	53%	0.532	S	S	.	.			trans	-121.9	103.4	178.6	75.3	0	0	0	0	112.3	H75	H75-S83 PolarHBondContact CD2-O 2.73Å
84	H	69.2	Low	65.3	Low	78 Å²	78	105.1 Å²	105.1	36%	0.361	53%	0.53	S	S	.	.			trans	-108.9	100.5	171.5	-167.5	101.9	0	0	0	108.5	P72 H86	P72-H84 WeakPolarHBondContact CB-NE2 3.36Å; H84-H86 AromaticContact CD2-CE1 3.92Å; H84-H86 AromaticContact CD2-NE2 3.45Å; H84-H86 PolarHBondContact CD2-NE2 3.36Å; H84-H86 PolarHBondContact O-CE1 2.88Å; H84-H86 PolarHBondContact O-ND1 2.62Å
85	P	82.3	Confident	64.4	Low	61 Å²	61	97.2 Å²	97.2	40%	0.396	50%	0.495	S	S	.	.			trans	-71	147.3	-177	25	-29.1	0	0	0	112.1	M73	M73-P85 HydrophobicContact CB-CG 4.21Å; M73-P85 PolarHBondContact N-O 2.93Å; M73-P85 HydrophobicContact SD-CB 4.41Å
86	H	85.1	Confident	63.8	Low	76 Å²	76	98.1 Å²	98.1	35%	0.352	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.8	177.1	-55.6	90.7	0	0	0	110.7	L57 I70 S71 H84	L57-H86 PolarHBondContact N-NE2 3Å; L57-H86 VanDerWaalsContact N-NE2 3.14Å; L57-H86 PolarHBondContact O-CD2 3.05Å; I70-H86 HydrophobicContact CG2-CB 3.85Å; S71-H86 WeakPolarHBondContact O-CA 3.18Å; H84-H86 AromaticContact CD2-CE1 3.92Å; H84-H86 AromaticContact CD2-NE2 3.45Å; H84-H86 PolarHBondContact CD2-NE2 3.36Å; H84-H86 PolarHBondContact O-CE1 2.88Å; H84-H86 PolarHBondContact O-ND1 2.62Å
87	L	86.2	Confident	63.4	Low	77 Å²	77	87.7 Å²	87.7	40%	0.403	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.2	167.3	-67	171.5	0	0	0	109.1	I70 S71 M73 I89	I70-L87 VanDerWaalsContact CA-O 3.29Å; I70-L87 WeakPolarHBondContact CA-O 3.29Å; S71-L87 PolarHBondContact N-O 3Å; S71-L87 PolarHBondContact O-N 2.86Å; M73-L87 HydrophobicContact CE-CD2 4.41Å; M73-L87 HydrophobicContact CG-CD1 4.11Å; M73-L87 HydrophobicContact CG-CD2 4.44Å; M73-L87 HydrophobicContact CG-CG 3.74Å; M73-L87 HydrophobicContact SD-CD1 4.3Å; M73-L87 HydrophobicContact SD-CD2 3.7Å; M73-L87 HydrophobicContact SD-CG 3.67Å; L87-I89 HydrophobicContact CB-CD1 4.04Å; L87-I89 HydrophobicContact CB-CG1 4.04Å; L87-I89 HydrophobicContact CD1-CD1 4.31Å
88	F	87.9	Confident	63.4	Low	123 Å²	123	82.2 Å²	82.2	54%	0.539	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	94.1	170.6	-171.1	-122.9	0	0	0	110.2	V61 Y68 M69 I70	V61-F88 HydrophobicContact CG2-CE2 4.37Å; Y68-F88 VanDerWaalsContact CB-CZ 3.42Å; Y68-F88 HydrophobicContact CD1-CD1 4.11Å; Y68-F88 AromaticContact CD1-CE1 3.46Å; Y68-F88 HydrophobicContact CD1-CE1 3.46Å; Y68-F88 VanDerWaalsContact CD1-CE1 3.46Å; Y68-F88 HydrophobicContact CD1-CE2 4.17Å; Y68-F88 AromaticContact CD1-CZ 3.51Å; Y68-F88 HydrophobicContact CD1-CZ 3.51Å; Y68-F88 HydrophobicContact CD2-CZ 4.13Å; Y68-F88 AromaticContact CE1-CE1 3.93Å; Y68-F88 HydrophobicContact CE1-CE1 3.93Å; Y68-F88 HydrophobicContact CE1-CZ 4.28Å; Y68-F88 AromaticContact CG-CE1 3.91Å; Y68-F88 HydrophobicContact CG-CE1 3.91Å; Y68-F88 AromaticContact CG-CE2 3.93Å; Y68-F88 HydrophobicContact CG-CE2 3.93Å; Y68-F88 AromaticContact CG-CZ 3.43Å; Y68-F88 HydrophobicContact CG-CZ 3.43Å; Y68-F88 VanDerWaalsContact CG-CZ 3.43Å; M69-F88 CarbonylContact O-C 3.55Å; M69-F88 WeakPolarHBondContact O-CA 3.36Å; I70-F88 HydrophobicContact CG1-CD2 3.76Å; I70-F88 HydrophobicContact CG1-CE2 4.08Å
89	I	83.3	Confident	63.8	Low	81 Å²	81	79.4 Å²	79.4	42%	0.415	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.9	-169.6	-58.2	172.8	0	0	0	109.3	Y68 M69 L87	Y68-I89 CarbonylContact C-O 3.52Å; Y68-I89 WeakPolarHBondContact CA-O 3.35Å; M69-I89 PolarHBondContact N-O 3.03Å; M69-I89 PolarHBondContact O-N 3.18Å; L87-I89 HydrophobicContact CB-CD1 4.04Å; L87-I89 HydrophobicContact CB-CG1 4.04Å; L87-I89 HydrophobicContact CD1-CD1 4.31Å
90	R	82.7	Confident	63.9	Low	115 Å²	115	73.9 Å²	73.9	43%	0.434	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	124	168.3	-174.3	-173.9	-174.4	175.1	7.8	109.1	N66 Y68 R92	N66-R90 VanDerWaalsContact CG-NH2 3.35Å; N66-R90 PolarHBondContact ND2-NH2 2.74Å; N66-R90 VanDerWaalsContact OD1-CZ 3.23Å; N66-R90 PolarHBondContact OD1-NE 3.5Å; N66-R90 PolarHBondContact OD1-NH2 3.04Å; Y68-R90 HydrophobicContact CD1-CB 3.73Å; Y68-R90 HydrophobicContact CD1-CG 4.16Å; Y68-R90 HydrophobicContact CE1-CB 3.64Å; Y68-R90 HydrophobicContact CE1-CG 3.81Å; R90-R92 PolarHBondContact O-N 2.92Å; R90-R92 VanDerWaalsContact O-N 3.08Å
91	L	71.1	Confident	63.8	Low	13 Å²	13	74.3 Å²	74.3	7%	0.068	38%	0.38	C	S	.	.			trans	-64.2	111.3	169	-75.5	178.4	0	0	0	109.6	V67 M69 V273 Y274	V67-L91 HydrophobicContact CB-CB 4.34Å; V67-L91 HydrophobicContact CB-CD1 3.98Å; V67-L91 HydrophobicContact CG1-CD1 3.7Å; V67-L91 WeakPolarHBondContact O-CB 3.4Å; V67-L91 PolarHBondContact O-N 3.22Å; M69-L91 HydrophobicContact CE-CD2 3.78Å; M69-L91 HydrophobicContact CE-CG 4.48Å; M69-L91 HydrophobicContact CG-CD1 4.13Å; M69-L91 HydrophobicContact CG-CD2 4.31Å; M69-L91 HydrophobicContact CG-CG 4Å; M69-L91 HydrophobicContact SD-CD1 3.91Å; M69-L91 HydrophobicContact SD-CD2 3.07Å; M69-L91 WeakPolarHBondContact SD-CD2 3.26Å; M69-L91 HydrophobicContact SD-CG 3.29Å; M69-L91 WeakPolarHBondContact SD-CG 3.39Å; L91-V273 HydrophobicContact CD1-CB 4.21Å; L91-V273 HydrophobicContact CD1-CG1 3.66Å; L91-V273 HydrophobicContact CD1-CG2 4.4Å; L91-Y274 HydrophobicContact CD2-CE1 4.19Å; L91-Y274 HydrophobicContact CD2-CE2 4.05Å; L91-Y274 WeakPolarHBondContact CD2-OH 3.17Å
92	R	64.5	Low	63.6	Low	194 Å²	194	73.4 Å²	73.4	73%	0.732	36%	0.364	S	S	*	.			trans	-72.9	157.3	164.3	-87.8	-177.1	154.8	174.8	-5.5	109.4	R90 D94	R90-R92 PolarHBondContact O-N 2.92Å; R90-R92 VanDerWaalsContact O-N 3.08Å; R92-D94 VanDerWaalsContact CB-OD1 3.26Å; R92-D94 WeakPolarHBondContact CB-OD1 3.34Å; R92-D94 PolarHBondContact O-N 3.46Å
93	N	54.4	Low	63.2	Low	30 Å²	30	76.8 Å²	76.8	16%	0.16	37%	0.368	C	S	.	.			trans	-67	62.6	175.6	-83	-11.9	0	0	0	110	Y95 R318 R323	N93-Y95 PolarHBondContact O-N 3.46Å; N93-Y95 VanDerWaalsContact O-N 3.08Å; N93-R318 PolarHBondContact ND2-O 2.04Å; N93-R323 VanDerWaalsContact OD1-CD 3.31Å; N93-R323 WeakPolarHBondContact OD1-CD 3.48Å; N93-R323 WeakPolarHBondContact OD1-CG 3.4Å
94	D	48.3	Very low	62.7	Low	67 Å²	67	81.2 Å²	81.2	36%	0.358	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-87.3	38.1	178.7	-61.5	-2.2	0	0	0	109.3	R92 E96 S97 K269	R92-D94 VanDerWaalsContact CB-OD1 3.26Å; R92-D94 WeakPolarHBondContact CB-OD1 3.34Å; R92-D94 PolarHBondContact O-N 3.46Å; D94-E96 PolarHBondContact O-N 3.04Å; D94-E96 VanDerWaalsContact O-N 3.08Å; D94-S97 WeakPolarHBondContact O-CB 3.4Å; D94-S97 PolarHBondContact O-N 3.48Å; D94-S97 PolarHBondContact O-OG 3.14Å; D94-K269 IonicContact OD2-NZ 2.74Å; D94-K269 PolarHBondContact OD2-NZ 3.14Å
95	Y	50.2	Low	61.9	Low	23 Å²	23	79.1 Å²	79.1	9%	0.09	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-51	-30.7	166.3	-81.4	-69.9	0	0	0	110.5	N93 S97 F98 C99 L304 P310 Y325	N93-Y95 PolarHBondContact O-N 3.46Å; N93-Y95 VanDerWaalsContact O-N 3.08Å; Y95-S97 PolarHBondContact O-N 3.18Å; Y95-F98 HydrophobicContact CD1-CD2 4.34Å; Y95-F98 WeakPolarHBondContact O-CA 2.95Å; Y95-F98 PolarHBondContact O-N 3.45Å; Y95-C99 WeakPolarHBondContact O-CB 3.25Å; Y95-C99 PolarHBondContact O-N 2.85Å; Y95-C99 PolarHBondContact O-SG 2.93Å; Y95-L304 HydrophobicContact CE2-CD1 3.42Å; Y95-L304 VanDerWaalsContact CE2-CD1 3.42Å; Y95-L304 HydrophobicContact CE2-CD2 3.53Å; Y95-L304 HydrophobicContact CE2-CG 4Å; Y95-L304 WeakPolarHBondContact OH-CB 3.42Å; Y95-L304 WeakPolarHBondContact OH-CD1 3.17Å; Y95-P310 HydrophobicContact CD1-CB 3.35Å; Y95-P310 HydrophobicContact CD1-CG 3.53Å; Y95-P310 HydrophobicContact CD2-CB 4Å; Y95-P310 HydrophobicContact CE1-CB 3.11Å; Y95-P310 HydrophobicContact CE1-CG 3.27Å; Y95-P310 HydrophobicContact CE2-CB 3.78Å; Y95-P310 HydrophobicContact CG-CB 3.75Å; Y95-P310 HydrophobicContact CG-CG 4.39Å; Y95-Y325 AromaticContact CE1-CE1 3.83Å; Y95-Y325 HydrophobicContact CE1-CE1 3.83Å; Y95-Y325 HydrophobicContact CE2-CE1 4.39Å; Y95-Y325 AromaticContact CZ-CE1 3.45Å; Y95-Y325 VanDerWaalsContact CZ-CE1 3.45Å; Y95-Y325 AromaticContact CZ-CZ 3.87Å; Y95-Y325 WeakPolarHBondContact OH-CE1 3.42Å
96	E	45.9	Very low	60.6	Low	111 Å²	111	88 Å²	88	52%	0.519	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-49.5	-28.2	172.3	-61.7	-164.8	148.5	0	0	114.2	D94 C99 R318	D94-E96 PolarHBondContact O-N 3.04Å; D94-E96 VanDerWaalsContact O-N 3.08Å; E96-C99 PolarHBondContact O-N 3.37Å; E96-R318 VanDerWaalsContact CD-NH1 3.29Å; E96-R318 IonicContact OE1-CZ 3.97Å; E96-R318 IonicContact OE1-NH1 3.31Å; E96-R318 PolarHBondContact OE1-NH1 2.85Å; E96-R318 IonicContact OE1-NH2 2.96Å; E96-R318 PolarHBondContact OE1-NH2 2.98Å
97	S	45.8	Very low	59.1	Low	26 Å²	26	92.2 Å²	92.2	18%	0.182	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-76	-22.1	174.2	62	0	0	0	0	114.4	D94 Y95 L268 K269	D94-S97 WeakPolarHBondContact O-CB 3.4Å; D94-S97 PolarHBondContact O-N 3.48Å; D94-S97 PolarHBondContact O-OG 3.14Å; Y95-S97 PolarHBondContact O-N 3.18Å; S97-L268 WeakPolarHBondContact O-CD1 3.49Å; S97-K269 VanDerWaalsContact CB-CE 3.49Å; S97-K269 WeakPolarHBondContact OG-CD 3.27Å; S97-K269 WeakPolarHBondContact OG-CE 3.07Å; S97-K269 PolarHBondContact OG-NZ 2.97Å
98	F	48.9	Very low	57.2	Low	13 Å²	13	92.9 Å²	92.9	6%	0.057	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-26.4	167.7	-59.5	-73.9	0	0	0	112	Y95 V100 V115 Y274 L278	Y95-F98 HydrophobicContact CD1-CD2 4.34Å; Y95-F98 WeakPolarHBondContact O-CA 2.95Å; Y95-F98 PolarHBondContact O-N 3.45Å; F98-V100 PolarHBondContact O-N 3.49Å; F98-V115 HydrophobicContact CB-CG2 3.98Å; F98-Y274 AromaticContact CE2-CD1 3.67Å; F98-Y274 HydrophobicContact CE2-CD1 3.67Å; F98-Y274 AromaticContact CE2-CE1 3.97Å; F98-Y274 HydrophobicContact CE2-CE1 3.97Å; F98-Y274 AromaticContact CZ-CD1 3.35Å; F98-Y274 HydrophobicContact CZ-CD1 3.35Å; F98-Y274 HydrophobicContact CZ-CE1 4.08Å; F98-Y274 AromaticContact CZ-CG 3.85Å; F98-Y274 HydrophobicContact CZ-CG 3.85Å; F98-L278 HydrophobicContact CD1-CD2 4.44Å; F98-L278 HydrophobicContact CE1-CD1 4.09Å; F98-L278 HydrophobicContact CE1-CD2 4.36Å; F98-L278 HydrophobicContact CE1-CG 4.3Å
99	C	54.8	Low	55.6	Low	5 Å²	5	92.5 Å²	92.5	3%	0.034	44%	0.438	C	S	.	.	S	Bend	trans	-89.1	107.8	-169.3	-53.1	0	0	0	0	110.8	Y95 E96 T113 Y114 C311	Y95-C99 WeakPolarHBondContact O-CB 3.25Å; Y95-C99 PolarHBondContact O-N 2.85Å; Y95-C99 PolarHBondContact O-SG 2.93Å; E96-C99 PolarHBondContact O-N 3.37Å; C99-T113 HydrophobicContact CB-CG2 4.35Å; C99-T113 VanDerWaalsContact CB-OG1 3.24Å; C99-T113 WeakPolarHBondContact CB-OG1 3.13Å; C99-Y114 CarbonylContact C-O 3.57Å; C99-Y114 VanDerWaalsContact CA-O 3.31Å; C99-Y114 WeakPolarHBondContact CA-O 3.31Å; C99-C311 VanDerWaalsContact CA-SG 3.57Å; C99-C311 HydrophobicContact CB-CB 3.65Å; C99-C311 WeakPolarHBondContact CB-SG 3.21Å; C99-C311 WeakPolarHBondContact SG-CA 3.04Å; C99-C311 WeakPolarHBondContact SG-CB 3.45Å; C99-C311 CovalentContact SG-SG 2.01Å; C99-C311 PolarHBondContact SG-SG 3.46Å
100	V	52.7	Low	53.8	Low	25 Å²	25	91.5 Å²	91.5	15%	0.152	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.1	176.1	-166.6	0	0	0	0	109.4	F98 R102 T113 Y114 T245	F98-V100 PolarHBondContact O-N 3.49Å; V100-R102 PolarHBondContact O-N 3.36Å; V100-T113 WeakPolarHBondContact O-CA 3.36Å; V100-Y114 HydrophobicContact CB-CE1 4.34Å; V100-Y114 HydrophobicContact CB-CE2 4.38Å; V100-Y114 PolarHBondContact N-O 3.41Å; V100-Y114 PolarHBondContact O-N 3.49Å; V100-Y114 VanDerWaalsContact O-N 3.15Å; V100-T245 HydrophobicContact CB-CG2 4.2Å; V100-T245 HydrophobicContact CG1-CG2 3.83Å; V100-T245 HydrophobicContact CG2-CG2 3.35Å
101	P	51.9	Low	51.9	Low	85 Å²	85	89.8 Å²	89.8	55%	0.552	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	123.1	170.5	-14.6	27.5	0	0	0	110.2	N111	P101-N111 HydrophobicContact CB-CB 4.29Å
102	R	51.9	Low	50.5	Low	163 Å²	163	91.4 Å²	91.4	62%	0.615	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-84.3	146.3	168.1	-163.4	173.6	172.8	154.4	0.3	109.6	V100 R104 N111 P112 Y114	V100-R102 PolarHBondContact O-N 3.36Å; R102-R104 PolarHBondContact O-N 3.08Å; R102-N111 WeakPolarHBondContact O-CB 3.48Å; R102-P112 HydrophobicContact CB-CG 4.08Å; R102-P112 VanDerWaalsContact CB-O 3.25Å; R102-P112 WeakPolarHBondContact CB-O 3.25Å; R102-P112 PolarHBondContact N-O 3.15Å; R102-Y114 HydrophobicContact CB-CD1 4.18Å; R102-Y114 HydrophobicContact CB-CE1 3.92Å; R102-Y114 HydrophobicContact CG-CE1 4.22Å
103	E	51	Low	49.4	Very low	182 Å²	182	83.5 Å²	83.5	85%	0.85	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-53.2	137.1	174.4	-74.3	-170.4	160.3	0	0	111.9	G105	E103-G105 PolarHBondContact O-N 2.66Å
104	R	49.5	Very low	49	Very low	158 Å²	158	86.2 Å²	86.2	60%	0.596	43%	0.431	S	S	*	.			trans	-64.2	115.6	-175.8	-167.2	176.2	175.6	173.2	-1.6	110.5	R102 Q108 N111	R102-R104 PolarHBondContact O-N 3.08Å; R104-Q108 VanDerWaalsContact CZ-O 3.22Å; R104-Q108 PolarHBondContact NE-O 3.21Å; R104-Q108 PolarHBondContact NH2-O 3.02Å; R104-N111 WeakPolarHBondContact CB-OD1 3.47Å
105	G	52.3	Low	49.2	Very low	33 Å²	33	84 Å²	84	34%	0.34	42%	0.42	S	S	.	.			trans	-65.3	143.1	162.4	0	0	0	0	0	110.4	E103 N107 Q108	E103-G105 PolarHBondContact O-N 2.66Å; G105-N107 PolarHBondContact O-N 3.39Å; G105-Q108 PolarHBondContact O-N 3.12Å
106	R	54.4	Low	49.2	Very low	249 Å²	249	85 Å²	85	94%	0.94	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.8	-25.8	-174.2	-82.2	-177.7	175.3	172.2	-1.3	115.9
107	N	53.1	Low	49.8	Very low	164 Å²	164	81.9 Å²	81.9	88%	0.877	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	19	-174.7	-69.1	-10	0	0	0	115.6	G105	G105-N107 PolarHBondContact O-N 3.39Å
108	Q	47.4	Very low	50.3	Low	91 Å²	91	83.8 Å²	83.8	43%	0.425	42%	0.418	S	S	.	.			trans	-104.6	138.9	177.7	-62	-174.2	27.8	0	0	111.3	R104 G105 S110 P112	R104-Q108 VanDerWaalsContact CZ-O 3.22Å; R104-Q108 PolarHBondContact NE-O 3.21Å; R104-Q108 PolarHBondContact NH2-O 3.02Å; G105-Q108 PolarHBondContact O-N 3.12Å; Q108-S110 VanDerWaalsContact C-N 3.32Å; Q108-P112 VanDerWaalsContact OE1-CD 3.29Å
109	S	53.4	Low	50.6	Low	114 Å²	114	84.7 Å²	84.7	80%	0.797	42%	0.423	S	S	*	.	S	Bend	trans	-77.3	-16.9	179.4	54.8	0	0	0	0	113.5
110	S	45.6	Very low	50.3	Low	61 Å²	61	85.4 Å²	85.4	43%	0.427	43%	0.427	S	S	.	.	S	Bend	trans	-148.7	152.2	178.1	56.4	0	0	0	0	110.7	Q108 P112	Q108-S110 VanDerWaalsContact C-N 3.32Å; S110-P112 WeakPolarHBondContact O-CD 3.21Å
111	N	43.5	Very low	50.1	Low	78 Å²	78	91.4 Å²	91.4	42%	0.417	46%	0.459	S	S	.	.			trans	-61.4	120.9	173.7	-68.2	-1.9	0	0	0	109.2	P101 R102 R104 T113	P101-N111 HydrophobicContact CB-CB 4.29Å; R102-N111 WeakPolarHBondContact O-CB 3.48Å; R104-N111 WeakPolarHBondContact CB-OD1 3.47Å; N111-T113 PolarHBondContact O-N 2.8Å
112	P	42.2	Very low	50	Low	47 Å²	47	89.4 Å²	89.4	31%	0.305	44%	0.443	S	S	.	.			trans	-68.5	135.4	174.6	26.6	-27.9	0	0	0	108.4	R102 Q108 S110	R102-P112 HydrophobicContact CB-CG 4.08Å; R102-P112 VanDerWaalsContact CB-O 3.25Å; R102-P112 WeakPolarHBondContact CB-O 3.25Å; R102-P112 PolarHBondContact N-O 3.15Å; Q108-P112 VanDerWaalsContact OE1-CD 3.29Å; S110-P112 WeakPolarHBondContact O-CD 3.21Å
113	T	40.8	Very low	49.6	Very low	28 Å²	28	89.4 Å²	89.4	17%	0.172	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	151.7	-179.9	69.2	0	0	0	0	110.7	C99 V100 N111 C311	C99-T113 HydrophobicContact CB-CG2 4.35Å; C99-T113 VanDerWaalsContact CB-OG1 3.24Å; C99-T113 WeakPolarHBondContact CB-OG1 3.13Å; V100-T113 WeakPolarHBondContact O-CA 3.36Å; N111-T113 PolarHBondContact O-N 2.8Å; T113-C311 VanDerWaalsContact C-CB 3.47Å; T113-C311 CarbonylContact O-C 3.57Å; T113-C311 WeakPolarHBondContact O-CB 3.24Å; T113-C311 PolarHBondContact OG1-O 3.06Å
114	Y	46.3	Very low	49.3	Very low	87 Å²	87	85.3 Å²	85.3	34%	0.341	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	148.6	178.7	64.4	-87.5	0	0	0	111.8	C99 V100 R102 L116 C311	C99-Y114 CarbonylContact C-O 3.57Å; C99-Y114 VanDerWaalsContact CA-O 3.31Å; C99-Y114 WeakPolarHBondContact CA-O 3.31Å; V100-Y114 HydrophobicContact CB-CE1 4.34Å; V100-Y114 HydrophobicContact CB-CE2 4.38Å; V100-Y114 PolarHBondContact N-O 3.41Å; V100-Y114 PolarHBondContact O-N 3.49Å; V100-Y114 VanDerWaalsContact O-N 3.15Å; R102-Y114 HydrophobicContact CB-CD1 4.18Å; R102-Y114 HydrophobicContact CB-CE1 3.92Å; R102-Y114 HydrophobicContact CG-CE1 4.22Å; Y114-L116 HydrophobicContact CD2-CB 4.46Å; Y114-L116 HydrophobicContact CD2-CD1 4.22Å; Y114-L116 HydrophobicContact CE2-CB 4.07Å; Y114-L116 HydrophobicContact CE2-CD1 3.48Å; Y114-L116 VanDerWaalsContact CE2-CD1 3.48Å; Y114-L116 HydrophobicContact CE2-CG 4.36Å; Y114-C311 VanDerWaalsContact C-SG 3.55Å; Y114-C311 VanDerWaalsContact CA-CB 3.46Å
115	V	51.9	Low	49.3	Very low	22 Å²	22	82.3 Å²	82.3	13%	0.133	44%	0.435	C	S	.	.			trans	-80.6	129.9	162.1	-176	0	0	0	0	105.9	F98 E117 C311	F98-V115 HydrophobicContact CB-CG2 3.98Å; V115-E117 HydrophobicContact CB-CG 4.01Å; V115-E117 HydrophobicContact CG1-CG 3.77Å; V115-E117 PolarHBondContact O-N 3.1Å; V115-C311 WeakPolarHBondContact CG2-SG 3.24Å; V115-C311 PolarHBondContact N-SG 3.37Å
116	L	50.1	Low	49.4	Very low	43 Å²	43	82.2 Å²	82.2	23%	0.225	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	109.6	173	-161.6	73.7	0	0	0	107.4	Y114 H118 Q247 I248	Y114-L116 HydrophobicContact CD2-CB 4.46Å; Y114-L116 HydrophobicContact CD2-CD1 4.22Å; Y114-L116 HydrophobicContact CE2-CB 4.07Å; Y114-L116 HydrophobicContact CE2-CD1 3.48Å; Y114-L116 VanDerWaalsContact CE2-CD1 3.48Å; Y114-L116 HydrophobicContact CE2-CG 4.36Å; L116-H118 WeakPolarHBondContact CD2-NE2 3.41Å; L116-H118 VanDerWaalsContact CG-NE2 3.35Å; L116-H118 WeakPolarHBondContact CG-NE2 2.97Å; L116-Q247 HydrophobicContact CB-CB 4.44Å; L116-Q247 HydrophobicContact CB-CG 3.9Å; L116-Q247 HydrophobicContact CD2-CG 4.27Å; L116-Q247 WeakPolarHBondContact O-CA 2.98Å; L116-I248 PolarHBondContact O-N 3.15Å
117	E	59.6	Low	49.1	Very low	46 Å²	46	74.8 Å²	74.8	22%	0.215	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	113.2	-178	-64.2	175.4	-173.2	0	0	108.1	V115 I248 H281 H291	V115-E117 HydrophobicContact CB-CG 4.01Å; V115-E117 HydrophobicContact CG1-CG 3.77Å; V115-E117 PolarHBondContact O-N 3.1Å; E117-I248 VanDerWaalsContact CA-O 3.32Å; E117-I248 WeakPolarHBondContact CA-O 3.33Å; E117-I248 HydrophobicContact CB-CG2 4.36Å; E117-I248 HydrophobicContact CG-CG2 3.77Å; E117-H281 IonicContact OE1-CE1 3.78Å; E117-H281 IonicContact OE1-NE2 3.76Å; E117-H281 IonicContact OE2-NE2 3.93Å; E117-H281 PolarHBondContact OE2-NE2 3.35Å; E117-H291 IonicContact OE2-CD2 3.98Å; E117-H291 IonicContact OE2-CE1 2.73Å; E117-H291 PolarHBondContact OE2-CE1 2.88Å; E117-H291 IonicContact OE2-NE2 2.82Å; E117-H291 PolarHBondContact OE2-NE2 3.21Å
118	H	54.7	Low	48.7	Very low	66 Å²	66	69.5 Å²	69.5	31%	0.306	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	95	178.9	-74.2	-82.6	0	0	0	109.8	L116 D212 I248 A249 V250	L116-H118 WeakPolarHBondContact CD2-NE2 3.41Å; L116-H118 VanDerWaalsContact CG-NE2 3.35Å; L116-H118 WeakPolarHBondContact CG-NE2 2.97Å; H118-D212 HydrophobicContact CB-CB 4.27Å; H118-D212 IonicContact CD2-OD2 2.65Å; H118-D212 PolarHBondContact CD2-OD2 3.31Å; H118-D212 IonicContact CG-OD2 3.22Å; H118-I248 PolarHBondContact N-O 3.31Å; H118-A249 HydrophobicContact CB-CB 3.78Å; H118-A249 VanDerWaalsContact O-CA 3.3Å; H118-A249 WeakPolarHBondContact O-CA 3.46Å; H118-V250 PolarHBondContact O-N 3.03Å
119	L	55.3	Low	48.7	Very low	32 Å²	32	75.3 Å²	75.3	17%	0.168	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	99.9	174	-60.5	176.7	0	0	0	109.1	N121 N122 V250 H285	L119-N121 PolarHBondContact O-N 2.01Å; L119-N122 HydrophobicContact CB-CB 3.53Å; L119-N122 HydrophobicContact CD1-CB 4.37Å; L119-N122 WeakPolarHBondContact CD1-ND2 3.45Å; L119-N122 PolarHBondContact O-N 3.41Å; L119-V250 HydrophobicContact CD2-CG2 3.48Å; L119-V250 VanDerWaalsContact CD2-CG2 3.48Å; L119-H285 VanDerWaalsContact CD1-CE1 3.44Å; L119-H285 WeakPolarHBondContact CD1-CE1 3.46Å; L119-H285 HydrophobicContact CD2-CB 4.02Å
120	V	49	Very low	48.2	Very low	20 Å²	20	80 Å²	80	12%	0.121	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	128.9	-179.1	-172.3	0	0	0	0	109	N122 V213 L216 V250 Y251 P252	V120-N122 VanDerWaalsContact C-N 3.31Å; V120-N122 PolarHBondContact O-N 2.95Å; V120-V213 HydrophobicContact CG2-CG1 4.35Å; V120-V213 HydrophobicContact CG2-CG2 4.27Å; V120-L216 HydrophobicContact CG2-CD1 3.99Å; V120-V250 PolarHBondContact N-O 2.83Å; V120-Y251 HydrophobicContact CB-CD1 3.73Å; V120-Y251 HydrophobicContact CB-CE1 3.66Å; V120-Y251 HydrophobicContact CG1-CD1 3.92Å; V120-Y251 HydrophobicContact CG1-CE1 3.44Å; V120-Y251 VanDerWaalsContact CG1-CE1 3.44Å; V120-Y251 HydrophobicContact CG2-CD1 4.32Å; V120-Y251 HydrophobicContact CG2-CE1 4.04Å; V120-P252 WeakPolarHBondContact O-CD 3.44Å
121	N	48.4	Very low	48	Very low	151 Å²	151	82.3 Å²	82.3	81%	0.807	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	28.4	179.7	-59.8	-32.3	0	0	0	116.1	L119	L119-N121 PolarHBondContact O-N 2.01Å
122	N	50.4	Low	47.7	Very low	43 Å²	43	87.9 Å²	87.9	23%	0.23	43%	0.433	C	S	.	.			trans	-99	117.3	177.8	-168.1	17.2	0	0	0	113.7	L119 V120 E124 P252	L119-N122 HydrophobicContact CB-CB 3.53Å; L119-N122 HydrophobicContact CD1-CB 4.37Å; L119-N122 WeakPolarHBondContact CD1-ND2 3.45Å; L119-N122 PolarHBondContact O-N 3.41Å; V120-N122 VanDerWaalsContact C-N 3.31Å; V120-N122 PolarHBondContact O-N 2.95Å; N122-E124 PolarHBondContact OD1-N 2.89Å; N122-P252 HydrophobicContact CB-CG 4.26Å
123	N	42.6	Very low	47.5	Very low	163 Å²	163	88.2 Å²	88.2	87%	0.872	45%	0.445	S	S	*	.			trans	-115.4	15.4	179.7	-78	-10.2	0	0	0	114.8
124	E	46.2	Very low	47.4	Very low	96 Å²	96	95.1 Å²	95.1	45%	0.449	48%	0.475	S	S	.	.			trans	-134.6	121.8	-169	-64.4	-179.7	151.7	0	0	114.6	N122 K253 R290	N122-E124 PolarHBondContact OD1-N 2.89Å; E124-K253 IonicContact OE2-NZ 3.02Å; E124-R290 IonicContact OE2-CZ 2.78Å; E124-R290 VanDerWaalsContact OE2-CZ 3.26Å; E124-R290 IonicContact OE2-NE 2.72Å; E124-R290 PolarHBondContact OE2-NE 3.08Å; E124-R290 VanDerWaalsContact OE2-NE 3.09Å; E124-R290 IonicContact OE2-NH2 3.35Å; E124-R290 PolarHBondContact OE2-NH2 2.8Å
125	T	48.4	Very low	47.1	Very low	94 Å²	94	97.2 Å²	97.2	58%	0.577	49%	0.492	S	S	*	.			trans	-97.7	148.4	166.2	60.2	0	0	0	0	111.4	N293	T125-N293 WeakPolarHBondContact CB-ND2 3.2Å; T125-N293 WeakPolarHBondContact CB-OD1 3.14Å; T125-N293 PolarHBondContact OG1-ND2 3.08Å
126	R	53.7	Low	46.4	Very low	31 Å²	31	101.4 Å²	101.4	12%	0.117	51%	0.513	C	S	.	.	B	Isolated β-bridge	trans	-86.8	139.1	-172.7	-171.1	-175.7	-179.8	151.1	16.5	113.1	C128 R290 H291 N293 C330 T331 E334	R126-C128 PolarHBondContact NE-SG 3.21Å; R126-R290 HydrophobicContact CB-CB 4.17Å; R126-H291 WeakPolarHBondContact CB-O 3.11Å; R126-N293 WeakPolarHBondContact O-CB 3.46Å; R126-N293 PolarHBondContact O-ND2 3.42Å; R126-C330 PolarHBondContact NE-SG 2.72Å; R126-C330 PolarHBondContact NH1-O 3.16Å; R126-C330 PolarHBondContact NH2-O 3.29Å; R126-C330 PolarHBondContact NH2-SG 3.06Å; R126-T331 VanDerWaalsContact NH1-CA 3.34Å; R126-E334 IonicContact CZ-OE2 3.91Å; R126-E334 IonicContact NE-OE2 3.56Å; R126-E334 IonicContact NH1-OE2 4Å; R126-E334 PolarHBondContact NH1-OE2 2.62Å; R126-E334 IonicContact NH2-OE2 3.07Å
127	V	48.3	Very low	45.9	Very low	93 Å²	93	108.2 Å²	108.2	56%	0.564	54%	0.541	S	S	*	.			trans	-116	104.7	162.6	-176.1	0	0	0	0	109.8	R129	V127-R129 PolarHBondContact O-N 3.08Å
128	C	45.3	Very low	44.9	Very low	53 Å²	53	112.8 Å²	112.8	36%	0.358	56%	0.56	S	S	.	*			trans	-70.2	108.9	172.6	-72.5	0	0	0	0	110.3	R126 C330	R126-C128 PolarHBondContact NE-SG 3.21Å; C128-C330 HydrophobicContact CB-CB 4.34Å; C128-C330 WeakPolarHBondContact CB-SG 3.3Å; C128-C330 WeakPolarHBondContact SG-CB 3.2Å; C128-C330 CovalentContact SG-SG 2.04Å; C128-C330 PolarHBondContact SG-SG 3.25Å
129	R	46.4	Very low	44	Very low	214 Å²	214	111.9 Å²	111.9	81%	0.808	55%	0.554	S	S	*	*			trans	-95.6	144.1	164.6	-74.3	-176.9	177.2	146.1	-0.1	109.8	V127 I131	V127-R129 PolarHBondContact O-N 3.08Å; R129-I131 PolarHBondContact O-N 2.58Å; R129-I131 VanDerWaalsContact O-N 3.09Å
130	K	43	Very low	43.2	Very low	211 Å²	211	119.9 Å²	119.9	92%	0.917	58%	0.582	S	S	*	*			trans	-54.2	117	173.6	-80	-174.9	176.5	-180	0	108.9	K132	K130-K132 PolarHBondContact O-N 2.99Å
131	I	41.9	Very low	42.8	Very low	110 Å²	110	124 Å²	124	56%	0.564	61%	0.608	S	S	*	*			trans	-73.2	110.5	174.2	-60.7	164.1	0	0	0	106.6	R129 G133 H333	R129-I131 PolarHBondContact O-N 2.58Å; R129-I131 VanDerWaalsContact O-N 3.09Å; I131-G133 PolarHBondContact O-N 2.84Å; I131-H333 HydrophobicContact CD1-CB 4.41Å; I131-H333 WeakPolarHBondContact CD1-CD2 3.29Å
132	K	37	Very low	42.6	Very low	196 Å²	196	118.2 Å²	118.2	85%	0.852	58%	0.577	S	S	*	*			trans	-69.2	120.2	165.7	-74.9	-171.6	176	-175.7	0	107.3	K130 H134	K130-K132 PolarHBondContact O-N 2.99Å; K132-H134 VanDerWaalsContact C-N 3.32Å; K132-H134 PolarHBondContact O-N 2.89Å
133	G	38.3	Very low	42.4	Very low	54 Å²	54	124.4 Å²	124.4	56%	0.557	60%	0.597	S	S	*	*	S	Bend	trans	-73.9	54.1	-157.5	0	0	0	0	0	117.7	I131	I131-G133 PolarHBondContact O-N 2.84Å
134	H	38.6	Very low	42.9	Very low	172 Å²	172	120 Å²	120	80%	0.796	59%	0.59	S	S	*	*	S	Bend	trans	-91.3	-12.3	-175.8	-98	-79.2	0	0	0	117.4	K132	K132-H134 VanDerWaalsContact C-N 3.32Å; K132-H134 PolarHBondContact O-N 2.89Å
135	N	39.4	Very low	43.5	Very low	131 Å²	131	123.3 Å²	123.3	70%	0.701	60%	0.599	S	S	*	*			trans	-122.4	24.9	-175	-80.7	-19.1	0	0	0	115.9	K137 Y139	N135-K137 PolarHBondContact O-N 3.4Å; N135-Y139 WeakPolarHBondContact O-CD2 3.35Å; N135-Y139 VanDerWaalsContact O-CE2 3.22Å; N135-Y139 WeakPolarHBondContact O-CE2 3.44Å
136	L	38.7	Very low	44.5	Very low	110 Å²	110	122.2 Å²	122.2	58%	0.576	60%	0.595	S	S	*	*	H	α-helix	trans	-66.2	-15.3	-178.9	-76.8	162.2	0	0	0	115.1	K138 Y139	L136-K138 PolarHBondContact O-N 3.17Å; L136-Y139 PolarHBondContact O-N 3.38Å
137	K	38.9	Very low	46	Very low	187 Å²	187	121.1 Å²	121.1	81%	0.813	59%	0.591	S	S	*	*	H	α-helix	trans	-64.8	-40.1	-177.1	-76.6	-173.9	177.6	-178.7	0	113.1	N135 Y139 R140	N135-K137 PolarHBondContact O-N 3.4Å; K137-Y139 VanDerWaalsContact C-N 3.33Å; K137-Y139 PolarHBondContact O-N 3.01Å; K137-R140 PolarHBondContact O-N 2.94Å
138	K	39.4	Very low	47.9	Very low	141 Å²	141	118 Å²	118	61%	0.613	57%	0.569	S	S	*	*	H	α-helix	trans	-72.6	-23.3	179	-155	173.4	-175.9	177.9	0	113	L136 R140 T141	L136-K138 PolarHBondContact O-N 3.17Å; K138-R140 VanDerWaalsContact C-N 3.32Å; K138-R140 PolarHBondContact O-N 3.04Å; K138-T141 PolarHBondContact O-OG1 2.84Å
139	Y	35.7	Very low	50.1	Low	47 Å²	47	115.5 Å²	115.5	18%	0.184	55%	0.552	C	S	.	*	H	α-helix	trans	-75	-18.2	179	-66.1	-96.5	0	0	0	113.5	N135 L136 K137 H333 T336 R337	N135-Y139 WeakPolarHBondContact O-CD2 3.35Å; N135-Y139 VanDerWaalsContact O-CE2 3.22Å; N135-Y139 WeakPolarHBondContact O-CE2 3.44Å; L136-Y139 PolarHBondContact O-N 3.38Å; K137-Y139 VanDerWaalsContact C-N 3.33Å; K137-Y139 PolarHBondContact O-N 3.01Å; Y139-H333 AromaticContact CE1-CE1 3.41Å; Y139-H333 VanDerWaalsContact CE1-CE1 3.41Å; Y139-H333 WeakPolarHBondContact CE1-CE1 3.06Å; Y139-H333 AromaticContact CE1-ND1 3.8Å; Y139-H333 AromaticContact CZ-CE1 3.37Å; Y139-H333 PolarHBondContact OH-CE1 3.25Å; Y139-T336 HydrophobicContact CD1-CG2 3.43Å; Y139-T336 VanDerWaalsContact CD1-CG2 3.43Å; Y139-T336 HydrophobicContact CE1-CG2 4.06Å; Y139-T336 HydrophobicContact CG-CG2 4.44Å; Y139-R337 HydrophobicContact CE1-CG 4.43Å
140	R	37.7	Very low	52.3	Low	200 Å²	200	106.2 Å²	106.2	76%	0.755	52%	0.517	S	S	*	.	H	α-helix	trans	-70	-35.1	-175.9	-86.1	-175.9	167.7	158.3	-3.1	113.3	K137 K138 L142 R143	K137-R140 PolarHBondContact O-N 2.94Å; K138-R140 VanDerWaalsContact C-N 3.32Å; K138-R140 PolarHBondContact O-N 3.04Å; R140-L142 PolarHBondContact O-N 2.99Å; R140-R143 PolarHBondContact O-N 3.07Å
141	T	39.8	Very low	54.8	Low	107 Å²	107	96.1 Å²	96.1	66%	0.656	47%	0.474	S	S	*	.	H	α-helix	trans	-66.8	-33.7	-172.9	49.2	0	0	0	0	113.2	K138	K138-T141 PolarHBondContact O-OG1 2.84Å
142	L	44.3	Very low	57.3	Low	30 Å²	30	91 Å²	91	16%	0.157	45%	0.447	C	S	.	.	H	α-helix	trans	-87.8	-18	179.1	-72.2	167	0	0	0	113.8	R140 G144 R145 R147 L339 N340 F348	R140-L142 PolarHBondContact O-N 2.99Å; L142-G144 PolarHBondContact O-N 3.23Å; L142-R145 PolarHBondContact O-N 3.48Å; L142-R147 PolarHBondContact O-NH2 2.88Å; L142-L339 HydrophobicContact CD1-CB 4.39Å; L142-N340 VanDerWaalsContact CD1-OD1 3.25Å; L142-N340 WeakPolarHBondContact CD1-OD1 3.16Å; L142-F348 HydrophobicContact CD2-CE1 4.24Å; L142-F348 HydrophobicContact CD2-CZ 4.09Å
143	R	47.1	Very low	60.1	Low	173 Å²	173	81.7 Å²	81.7	65%	0.653	41%	0.407	S	S	*	.	H	α-helix	trans	-66.9	-24.1	-170.6	-150.9	176.8	-175	177.2	2.5	113.2	R140 N189	R140-R143 PolarHBondContact O-N 3.07Å; R143-N189 PolarHBondContact O-ND2 2.89Å
144	G	52	Low	62.8	Low	71 Å²	71	79.2 Å²	79.2	73%	0.732	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-13.1	-177.9	0	0	0	0	0	116	L142	L142-G144 PolarHBondContact O-N 3.23Å
145	R	60.2	Low	65.5	Low	165 Å²	165	71 Å²	71	62%	0.623	34%	0.343	S	S	*	.	S	Bend	trans	-84.3	124.4	180	-67.7	-171.6	178.4	179.6	-2	110	L142 F348	L142-R145 PolarHBondContact O-N 3.48Å; R145-F348 HydrophobicContact CB-CE1 4.45Å
146	S	68.8	Low	68.2	Low	70 Å²	70	64.9 Å²	64.9	49%	0.49	31%	0.31	S	S	.	.			trans	-59.7	141.9	167.1	-63.4	0	0	0	0	109.1	Y148	S146-Y148 WeakPolarHBondContact CB-OH 3.22Å
147	R	84.8	Confident	70.8	Confident	9 Å²	9	62.3 Å²	62.3	3%	0.034	30%	0.295	C	S	.	.			trans	-121.4	146.2	175.3	-60.1	172.6	-161	91.7	6.8	108	L142 I188 N189 V190 R191 L347 F348	L142-R147 PolarHBondContact O-NH2 2.88Å; R147-I188 PolarHBondContact NH1-O 2.6Å; R147-N189 WeakPolarHBondContact CB-O 3.45Å; R147-N189 VanDerWaalsContact NH1-CB 3.31Å; R147-N189 PolarHBondContact NH1-O 2.84Å; R147-V190 HydrophobicContact CB-CG2 4.25Å; R147-V190 CarbonylContact O-C 3.46Å; R147-R191 PolarHBondContact O-N 2.84Å; R147-L347 CarbonylContact C-O 3.54Å; R147-L347 WeakPolarHBondContact CA-O 3.41Å; R147-L347 HydrophobicContact CB-CB 4.21Å; R147-L347 WeakPolarHBondContact CB-O 3.46Å; R147-F348 HydrophobicContact CG-CD1 4.28Å; R147-F348 HydrophobicContact CG-CE1 4Å; R147-F348 HydrophobicContact CG-CZ 4.48Å
148	Y	88.6	Confident	73.4	Confident	28 Å²	28	56.7 Å²	56.7	11%	0.11	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.5	-177.8	-50.8	-86	0	0	0	108.3	V7 S146 R191 L347 N349 M350	V7-Y148 HydrophobicContact CB-CD1 4.31Å; V7-Y148 HydrophobicContact CB-CE1 4.42Å; V7-Y148 HydrophobicContact CG1-CD1 4.08Å; V7-Y148 HydrophobicContact CG1-CE1 3.81Å; V7-Y148 HydrophobicContact CG2-CD1 4.06Å; V7-Y148 HydrophobicContact CG2-CE1 4.12Å; S146-Y148 WeakPolarHBondContact CB-OH 3.22Å; Y148-R191 CarbonylContact C-O 3.55Å; Y148-R191 VanDerWaalsContact CA-O 3.24Å; Y148-R191 WeakPolarHBondContact CA-O 3.48Å; Y148-R191 HydrophobicContact CD1-CB 3.85Å; Y148-R191 HydrophobicContact CD1-CG 4.41Å; Y148-R191 HydrophobicContact CE1-CB 4.22Å; Y148-R191 HydrophobicContact CE1-CG 4.3Å; Y148-L347 PolarHBondContact N-O 3.03Å; Y148-L347 WeakPolarHBondContact O-CA 3.36Å; Y148-L347 WeakPolarHBondContact O-CB 3.45Å; Y148-L347 VanDerWaalsContact O-CD2 3.22Å; Y148-L347 WeakPolarHBondContact O-CD2 3.37Å; Y148-N349 VanDerWaalsContact CB-O 3.29Å; Y148-N349 WeakPolarHBondContact CB-O 3.35Å; Y148-N349 WeakPolarHBondContact CD2-O 3.37Å; Y148-M350 HydrophobicContact CD1-CG 4.29Å; Y148-M350 HydrophobicContact CD2-CB 3.86Å; Y148-M350 HydrophobicContact CD2-CG 4.15Å; Y148-M350 HydrophobicContact CE1-CE 4.13Å; Y148-M350 HydrophobicContact CE1-CG 3.9Å; Y148-M350 HydrophobicContact CE1-SD 4.29Å; Y148-M350 HydrophobicContact CE2-CB 3.58Å; Y148-M350 HydrophobicContact CE2-CG 3.7Å; Y148-M350 HydrophobicContact CE2-SD 4.17Å; Y148-M350 HydrophobicContact CG-CB 4.47Å; Y148-M350 HydrophobicContact CG-CG 4.42Å; Y148-M350 PolarHBondContact OH-SD 2.69Å
149	L	92.6	Very high	75.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	109.8	177.4	-176.8	153.4	0	0	0	106.7	L151 V190 R191 S193 D233 V234 I283 L347	L149-L151 HydrophobicContact CD2-CB 4.08Å; L149-L151 PolarHBondContact O-N 3.49Å; L149-V190 HydrophobicContact CB-CG1 3.86Å; L149-V190 HydrophobicContact CD1-CG1 4.47Å; L149-R191 PolarHBondContact N-O 2.93Å; L149-S193 PolarHBondContact O-N 3.37Å; L149-D233 WeakPolarHBondContact CA-OD2 3.49Å; L149-D233 HydrophobicContact CG-CB 4.34Å; L149-V234 HydrophobicContact CD1-CG2 3.96Å; L149-V234 HydrophobicContact CD2-CB 4.07Å; L149-V234 HydrophobicContact CD2-CG2 3.95Å; L149-V234 HydrophobicContact CG-CG2 4.07Å; L149-I283 HydrophobicContact CD1-CG2 3.7Å; L149-I283 HydrophobicContact CD2-CD1 4.35Å; L149-L347 HydrophobicContact CB-CD2 4.12Å; L149-L347 HydrophobicContact CD1-CD2 4.35Å; L149-L347 HydrophobicContact CG-CD2 4.28Å
150	E	91.8	Very high	78.6	Confident	18 Å²	18	48.7 Å²	48.7	8%	0.084	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	113.4	178.2	-65.1	168.2	158.8	0	0	108.5	V195 D233 V234 N349 P351	E150-V195 HydrophobicContact CB-CG1 3.9Å; E150-V195 HydrophobicContact CB-CG2 4.18Å; E150-V195 HydrophobicContact CG-CG1 4Å; E150-D233 HydrophobicContact CB-CB 4.39Å; E150-D233 PolarHBondContact N-OD2 3.2Å; E150-D233 WeakPolarHBondContact O-CA 3.45Å; E150-D233 WeakPolarHBondContact O-CB 3.34Å; E150-D233 PolarHBondContact O-N 2.8Å; E150-V234 PolarHBondContact O-N 3.14Å; E150-V234 VanDerWaalsContact O-N 3.09Å; E150-N349 VanDerWaalsContact CD-ND2 3.34Å; E150-N349 PolarHBondContact OE1-ND2 3.45Å; E150-N349 PolarHBondContact OE2-ND2 3.04Å; E150-P351 HydrophobicContact CG-CB 4.41Å; E150-P351 HydrophobicContact CG-CG 4.48Å
151	L	94.9	Very high	81.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.8	-170.6	172.9	66.4	0	0	0	110.4	L149 V153 V178 L181 V192 S193 L194 V195 H196 V234 F236 M279	L149-L151 HydrophobicContact CD2-CB 4.08Å; L149-L151 PolarHBondContact O-N 3.49Å; L151-V153 HydrophobicContact CD1-CG2 4.2Å; L151-V153 HydrophobicContact CD2-CG2 4.04Å; L151-V153 HydrophobicContact CG-CG2 3.93Å; L151-V178 HydrophobicContact CD2-CG1 4.31Å; L151-V178 HydrophobicContact CD2-CG2 3.77Å; L151-L181 HydrophobicContact CD2-CD2 3.89Å; L151-V192 HydrophobicContact CB-CG1 3.81Å; L151-V192 HydrophobicContact CD2-CG1 3.68Å; L151-V192 HydrophobicContact CG-CG1 4.41Å; L151-S193 PolarHBondContact N-O 3.35Å; L151-L194 HydrophobicContact CD2-CD1 4.16Å; L151-L194 HydrophobicContact CG-CD1 4.14Å; L151-V195 WeakPolarHBondContact O-CG2 3.47Å; L151-V195 PolarHBondContact O-N 3.33Å; L151-H196 PolarHBondContact O-N 2.97Å; L151-V234 WeakPolarHBondContact CA-O 3.02Å; L151-V234 HydrophobicContact CD1-CG1 4.44Å; L151-F236 HydrophobicContact CD1-CD2 3.83Å; L151-M279 HydrophobicContact CD1-CE 4.03Å; L151-M279 HydrophobicContact CD2-CE 3.63Å; L151-M279 HydrophobicContact CG-CE 4.39Å
152	S	94	Very high	83.6	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.5	165.4	-177.7	0	0	0	0	110.9	H196 Q232 V234 T235 F236	S152-H196 CarbonylContact C-O 3.58Å; S152-H196 VanDerWaalsContact CA-O 3.29Å; S152-H196 WeakPolarHBondContact CA-O 3.27Å; S152-H196 PolarHBondContact OG-ND1 3.1Å; S152-H196 VanDerWaalsContact OG-ND1 3.15Å; S152-Q232 VanDerWaalsContact CB-OE1 3.29Å; S152-V234 PolarHBondContact N-O 2.92Å; S152-T235 CarbonylContact O-C 3.58Å; S152-T235 WeakPolarHBondContact O-CA 3.2Å; S152-F236 PolarHBondContact O-N 3.41Å
153	V	95.9	Very high	85.8	Confident	2 Å²	2	45 Å²	45	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.2	176.5	-176.7	0	0	0	0	110.5	L151 V155 L174 L194 H196 V197 E198 F236 L238 M279	L151-V153 HydrophobicContact CD1-CG2 4.2Å; L151-V153 HydrophobicContact CD2-CG2 4.04Å; L151-V153 HydrophobicContact CG-CG2 3.93Å; V153-V155 HydrophobicContact CG1-CG2 4.38Å; V153-L174 HydrophobicContact CG1-CD1 4.47Å; V153-L174 HydrophobicContact CG1-CD2 4.13Å; V153-L194 HydrophobicContact CB-CD1 4.4Å; V153-L194 HydrophobicContact CG2-CD1 3.77Å; V153-H196 PolarHBondContact N-O 2.87Å; V153-V197 VanDerWaalsContact O-CA 3.25Å; V153-V197 WeakPolarHBondContact O-CA 3.14Å; V153-E198 PolarHBondContact O-N 3.05Å; V153-F236 CarbonylContact C-O 3.51Å; V153-F236 WeakPolarHBondContact CA-O 2.89Å; V153-L238 HydrophobicContact CG1-CD1 3.9Å; V153-L238 HydrophobicContact CG1-CG 4.04Å; V153-M279 HydrophobicContact CG2-CE 3.89Å
154	L	95.6	Very high	87.9	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.5	174.6	-47.8	178.4	0	0	0	108.6	E198 W200 L219 F222 T235 F236 L237 L238	L154-E198 HydrophobicContact CD2-CB 3.7Å; L154-W200 HydrophobicContact CB-CZ2 4.17Å; L154-W200 HydrophobicContact CD1-CH2 4.41Å; L154-W200 HydrophobicContact CD1-CZ2 3.92Å; L154-L219 HydrophobicContact CD1-CD1 3.64Å; L154-F222 HydrophobicContact CD1-CD1 3.9Å; L154-F222 HydrophobicContact CD1-CE1 3.66Å; L154-F222 HydrophobicContact CD2-CE1 4.43Å; L154-T235 HydrophobicContact CD1-CG2 3.84Å; L154-T235 HydrophobicContact CG-CG2 4Å; L154-F236 PolarHBondContact N-O 2.92Å; L154-L237 HydrophobicContact CB-CD1 4Å; L154-L237 WeakPolarHBondContact O-CA 3.31Å; L154-L238 PolarHBondContact O-N 3.02Å
155	V	95.8	Very high	89.7	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.4	178.2	-168.4	0	0	0	0	110.1	V153 M159 I160 L170 L174 E198 L199 W200 L238	V153-V155 HydrophobicContact CG1-CG2 4.38Å; V155-M159 HydrophobicContact CG1-CB 3.97Å; V155-M159 HydrophobicContact CG1-CG 3.71Å; V155-I160 HydrophobicContact CB-CD1 4.5Å; V155-I160 HydrophobicContact CB-CG1 4.34Å; V155-I160 HydrophobicContact CG1-CD1 4.44Å; V155-I160 HydrophobicContact CG1-CG1 3.81Å; V155-L170 HydrophobicContact CG1-CD2 4.44Å; V155-L174 HydrophobicContact CG2-CD1 3.82Å; V155-L174 HydrophobicContact CG2-CD2 4.37Å; V155-E198 PolarHBondContact N-O 3.38Å; V155-L199 HydrophobicContact CB-CD2 3.76Å; V155-L199 HydrophobicContact CG2-CD2 3.65Å; V155-W200 WeakPolarHBondContact O-CB 3.26Å; V155-W200 PolarHBondContact O-N 3.36Å; V155-L238 HydrophobicContact CG2-CD1 4.48Å
156	E	94.9	Very high	91.1	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.193	C	C	.	.			trans	-61.3	147.3	176.1	-169.5	-160.8	-150.5	0	0	111.7	E158 M159 I160 N204 V208 L237 L238 T239 V240 S241	E156-E158 VanDerWaalsContact C-N 3.34Å; E156-E158 HydrophobicContact CG-CB 4.48Å; E156-E158 WeakPolarHBondContact CG-OE2 3.49Å; E156-E158 PolarHBondContact O-N 3.33Å; E156-M159 WeakPolarHBondContact O-CB 3.29Å; E156-M159 PolarHBondContact O-N 2.85Å; E156-M159 VanDerWaalsContact O-N 3.15Å; E156-I160 WeakPolarHBondContact O-CG1 3.41Å; E156-I160 PolarHBondContact O-N 3Å; E156-I160 VanDerWaalsContact O-N 3.12Å; E156-N204 WeakPolarHBondContact CG-ND2 3.47Å; E156-N204 VanDerWaalsContact CG-OD1 3.3Å; E156-N204 WeakPolarHBondContact CG-OD1 3.3Å; E156-V208 HydrophobicContact CG-CG2 4.22Å; E156-V208 WeakPolarHBondContact OE1-CB 3.37Å; E156-V208 VanDerWaalsContact OE1-CG1 3.3Å; E156-V208 WeakPolarHBondContact OE1-CG1 3.11Å; E156-L237 HydrophobicContact CB-CD1 4.38Å; E156-L238 WeakPolarHBondContact CB-O 3.07Å; E156-L238 PolarHBondContact N-O 2.87Å; E156-T239 PolarHBondContact OE1-OG1 2.99Å; E156-T239 VanDerWaalsContact OE2-CA 3.27Å; E156-T239 WeakPolarHBondContact OE2-CA 3.21Å; E156-T239 WeakPolarHBondContact OE2-CB 3.47Å; E156-T239 PolarHBondContact OE2-OG1 2.86Å; E156-V240 PolarHBondContact OE2-N 2.86Å; E156-S241 VanDerWaalsContact CD-OG 3.23Å; E156-S241 WeakPolarHBondContact OE1-CB 3.13Å; E156-S241 PolarHBondContact OE1-OG 2.65Å; E156-S241 PolarHBondContact OE2-OG 2.81Å; E156-S241 VanDerWaalsContact OE2-OG 3.13Å
157	K	94.1	Very high	92.1	Very high	57 Å²	57	37.1 Å²	37.1	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-49.8	-50.6	174.5	-177.1	-175.2	174.1	173.2	0	113.1	M159 I160 E161 W200 Q202 N204	K157-M159 PolarHBondContact O-N 3.4Å; K157-I160 WeakPolarHBondContact O-CA 3.29Å; K157-I160 WeakPolarHBondContact O-CB 3.02Å; K157-I160 PolarHBondContact O-N 2.88Å; K157-E161 WeakPolarHBondContact CE-OE1 3.43Å; K157-E161 HydrophobicContact CG-CG 4.38Å; K157-E161 IonicContact NZ-OE1 3.68Å; K157-E161 PolarHBondContact O-N 2.79Å; K157-W200 WeakPolarHBondContact CA-O 3.2Å; K157-W200 WeakPolarHBondContact CB-O 3.27Å; K157-W200 PolarHBondContact N-O 3.2Å; K157-Q202 WeakPolarHBondContact CD-O 3.49Å; K157-Q202 WeakPolarHBondContact CE-O 3.4Å; K157-Q202 PolarHBondContact NZ-O 3.44Å; K157-N204 VanDerWaalsContact CB-OD1 3.25Å; K157-N204 WeakPolarHBondContact CB-OD1 3.36Å; K157-N204 PolarHBondContact N-OD1 2.9Å
158	E	92.8	Very high	92.1	Very high	69 Å²	69	38 Å²	38	32%	0.322	19%	0.19	S	C	.	.	H	α-helix	trans	-60.1	-35.3	-176.8	-72.2	75	-174.5	0	0	111.2	E156 W162 N204 V240	E156-E158 VanDerWaalsContact C-N 3.34Å; E156-E158 HydrophobicContact CG-CB 4.48Å; E156-E158 WeakPolarHBondContact CG-OE2 3.49Å; E156-E158 PolarHBondContact O-N 3.33Å; E158-W162 WeakPolarHBondContact O-CB 3.46Å; E158-W162 PolarHBondContact O-N 3.14Å; E158-N204 PolarHBondContact OE2-ND2 2.84Å; E158-V240 HydrophobicContact CB-CG2 4Å
159	M	92.5	Very high	92.1	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-70.4	-38.5	174.6	176.4	62.1	165.9	0	0	111.9	V155 E156 K157 W162 K163 V240 A266	V155-M159 HydrophobicContact CG1-CB 3.97Å; V155-M159 HydrophobicContact CG1-CG 3.71Å; E156-M159 WeakPolarHBondContact O-CB 3.29Å; E156-M159 PolarHBondContact O-N 2.85Å; E156-M159 VanDerWaalsContact O-N 3.15Å; K157-M159 PolarHBondContact O-N 3.4Å; M159-W162 HydrophobicContact CE-CE3 4.49Å; M159-W162 HydrophobicContact CE-CZ3 4.23Å; M159-W162 PolarHBondContact O-N 3.03Å; M159-W162 HydrophobicContact SD-CE3 3.67Å; M159-W162 HydrophobicContact SD-CZ3 3.93Å; M159-K163 HydrophobicContact CE-CD 4.49Å; M159-K163 HydrophobicContact CE-CG 4.16Å; M159-K163 VanDerWaalsContact O-CB 3.32Å; M159-K163 WeakPolarHBondContact O-CB 3.28Å; M159-K163 WeakPolarHBondContact O-CG 3.27Å; M159-K163 PolarHBondContact O-N 3.45Å; M159-K163 HydrophobicContact SD-CG 4.16Å; M159-V240 HydrophobicContact CB-CG1 4.33Å; M159-V240 HydrophobicContact CB-CG2 4.34Å; M159-V240 HydrophobicContact CG-CG1 4.45Å; M159-V240 HydrophobicContact SD-CG1 3.36Å; M159-V240 WeakPolarHBondContact SD-CG1 3.19Å; M159-A266 HydrophobicContact CE-CB 4.13Å
160	I	92.8	Very high	92	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.087	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-48.8	176	-63.8	162.9	0	0	0	110.1	V155 E156 K157 K163 N164 L170 L199 W200 T201	V155-I160 HydrophobicContact CB-CD1 4.5Å; V155-I160 HydrophobicContact CB-CG1 4.34Å; V155-I160 HydrophobicContact CG1-CD1 4.44Å; V155-I160 HydrophobicContact CG1-CG1 3.81Å; E156-I160 WeakPolarHBondContact O-CG1 3.41Å; E156-I160 PolarHBondContact O-N 3Å; E156-I160 VanDerWaalsContact O-N 3.12Å; K157-I160 WeakPolarHBondContact O-CA 3.29Å; K157-I160 WeakPolarHBondContact O-CB 3.02Å; K157-I160 PolarHBondContact O-N 2.88Å; I160-K163 PolarHBondContact O-N 3.12Å; I160-N164 PolarHBondContact O-N 2.89Å; I160-L170 HydrophobicContact CB-CD2 4.36Å; I160-L170 HydrophobicContact CG1-CD2 3.74Å; I160-L170 HydrophobicContact CG2-CD2 4.33Å; I160-L199 HydrophobicContact CD1-CB 3.83Å; I160-W200 VanDerWaalsContact CD1-N 3.35Å; I160-T201 HydrophobicContact CD1-CG2 4.22Å; I160-T201 HydrophobicContact CG2-CG2 4.5Å
161	E	92.6	Very high	92	Very high	117 Å²	117	38.4 Å²	38.4	55%	0.547	19%	0.194	S	C	.	.	H	α-helix	trans	-62.2	-43.1	177.6	-69.9	-179	170	0	0	111.5	K157 N164	K157-E161 WeakPolarHBondContact CE-OE1 3.43Å; K157-E161 HydrophobicContact CG-CG 4.38Å; K157-E161 IonicContact NZ-OE1 3.68Å; K157-E161 PolarHBondContact O-N 2.79Å; E161-N164 WeakPolarHBondContact O-CB 3.29Å; E161-N164 PolarHBondContact O-N 2.99Å
162	W	90.4	Very high	91.7	Very high	117 Å²	117	41.4 Å²	41.4	44%	0.443	21%	0.205	S	C	.	.	H	α-helix	trans	-64.4	-40.2	176.7	178.7	81.6	0	0	0	112.7	E158 M159 N164 V240 D270	E158-W162 WeakPolarHBondContact O-CB 3.46Å; E158-W162 PolarHBondContact O-N 3.14Å; M159-W162 HydrophobicContact CE-CE3 4.49Å; M159-W162 HydrophobicContact CE-CZ3 4.23Å; M159-W162 PolarHBondContact O-N 3.03Å; M159-W162 HydrophobicContact SD-CE3 3.67Å; M159-W162 HydrophobicContact SD-CZ3 3.93Å; W162-N164 VanDerWaalsContact C-N 3.28Å; W162-N164 PolarHBondContact O-N 2.86Å; W162-V240 HydrophobicContact CB-CG2 4.14Å; W162-V240 HydrophobicContact CD2-CG1 4.21Å; W162-V240 HydrophobicContact CE3-CG1 4.04Å; W162-V240 HydrophobicContact CG-CG2 4.49Å; W162-V240 HydrophobicContact CZ3-CG1 4.41Å; W162-D270 HydrophobicContact CH2-CB 3.45Å; W162-D270 VanDerWaalsContact CH2-CB 3.45Å; W162-D270 HydrophobicContact CZ3-CB 3.75Å
163	K	90.3	Very high	91.5	Very high	27 Å²	27	42.7 Å²	42.7	12%	0.117	21%	0.21	C	C	.	.	H	α-helix	trans	-64.4	-34.5	175.1	-82.3	-67.2	-173.1	174.9	0	112.1	M159 I160 V165 L170 D270	M159-K163 HydrophobicContact CE-CD 4.49Å; M159-K163 HydrophobicContact CE-CG 4.16Å; M159-K163 VanDerWaalsContact O-CB 3.32Å; M159-K163 WeakPolarHBondContact O-CB 3.28Å; M159-K163 WeakPolarHBondContact O-CG 3.27Å; M159-K163 PolarHBondContact O-N 3.45Å; M159-K163 HydrophobicContact SD-CG 4.16Å; I160-K163 PolarHBondContact O-N 3.12Å; K163-V165 VanDerWaalsContact C-N 3.31Å; K163-V165 HydrophobicContact CB-CG2 4.24Å; K163-V165 PolarHBondContact O-N 3.3Å; K163-L170 HydrophobicContact CB-CD1 4.49Å; K163-L170 HydrophobicContact CG-CD1 4.15Å; K163-D270 VanDerWaalsContact NZ-CB 3.32Å; K163-D270 PolarHBondContact NZ-O 2.76Å; K163-D270 IonicContact NZ-OD2 2.67Å; K163-D270 PolarHBondContact NZ-OD2 3.25Å
164	N	90.8	Very high	91.4	Very high	143 Å²	143	42.8 Å²	42.8	77%	0.765	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	49	175.4	-167.4	21	0	0	0	113.2	I160 E161 W162	I160-N164 PolarHBondContact O-N 2.89Å; E161-N164 WeakPolarHBondContact O-CB 3.29Å; E161-N164 PolarHBondContact O-N 2.99Å; W162-N164 VanDerWaalsContact C-N 3.28Å; W162-N164 PolarHBondContact O-N 2.86Å
165	V	89.2	Confident	91.2	Very high	60 Å²	60	42.9 Å²	42.9	36%	0.364	21%	0.211	S	C	.	.	S	Bend	trans	-128.6	167.3	176	-65.3	0	0	0	0	110.1	K163 D169 L170	K163-V165 VanDerWaalsContact C-N 3.31Å; K163-V165 HydrophobicContact CB-CG2 4.24Å; K163-V165 PolarHBondContact O-N 3.3Å; V165-D169 HydrophobicContact CB-CB 4.1Å; V165-D169 HydrophobicContact CG2-CB 4.26Å; V165-L170 HydrophobicContact CG2-CB 4.04Å
166	S	90.1	Very high	91	Very high	58 Å²	58	43.9 Å²	43.9	41%	0.406	22%	0.216	S	C	.	.			trans	-62.2	151.1	173.2	70.8	0	0	0	0	111.2	T168 D169 L170	S166-T168 PolarHBondContact O-N 3.4Å; S166-D169 PolarHBondContact O-N 2.91Å; S166-D169 WeakPolarHBondContact OG-CB 3.25Å; S166-D169 PolarHBondContact OG-N 3.01Å; S166-D169 VanDerWaalsContact OG-N 3.08Å; S166-D169 PolarHBondContact OG-OD2 3.44Å; S166-L170 PolarHBondContact O-N 2.93Å
167	N	89	Confident	90.9	Very high	51 Å²	51	43.9 Å²	43.9	27%	0.273	22%	0.217	S	C	.	.	H	α-helix	trans	-52.9	-42	175.1	-67.1	-15.6	0	0	0	111.3	V17 D169 L170 F171 L199	V17-N167 HydrophobicContact CG2-CB 4.23Å; N167-D169 PolarHBondContact O-N 2.91Å; N167-L170 WeakPolarHBondContact O-CB 3.43Å; N167-L170 PolarHBondContact O-N 3.43Å; N167-F171 HydrophobicContact CB-CE2 4.34Å; N167-F171 WeakPolarHBondContact O-CD2 3.04Å; N167-F171 WeakPolarHBondContact O-CG 3.43Å; N167-F171 PolarHBondContact O-N 2.86Å; N167-L199 HydrophobicContact CB-CD1 3.91Å
168	T	86.4	Confident	91	Very high	28 Å²	28	41.2 Å²	41.2	17%	0.172	21%	0.205	C	C	.	.	H	α-helix	trans	-59.1	-45.7	175.6	-59.2	0	0	0	0	113	E29 S166 L170 F171 R172	E29-T168 WeakPolarHBondContact OE1-CB 3.33Å; E29-T168 WeakPolarHBondContact OE1-CG2 3.23Å; E29-T168 PolarHBondContact OE1-OG1 3.24Å; E29-T168 VanDerWaalsContact OE2-CG2 3.25Å; E29-T168 WeakPolarHBondContact OE2-CG2 3.34Å; S166-T168 PolarHBondContact O-N 3.4Å; T168-L170 VanDerWaalsContact C-N 3.3Å; T168-L170 PolarHBondContact O-N 3.25Å; T168-F171 PolarHBondContact O-N 3.46Å; T168-R172 WeakPolarHBondContact O-CG 3.5Å; T168-R172 PolarHBondContact O-N 3.16Å
169	D	87.4	Confident	91	Very high	50 Å²	50	38 Å²	38	27%	0.267	19%	0.19	S	C	.	.	H	α-helix	trans	-68.8	-31.2	176.8	-69.6	-38.4	0	0	0	112	V165 S166 N167 R172 Y173	V165-D169 HydrophobicContact CB-CB 4.1Å; V165-D169 HydrophobicContact CG2-CB 4.26Å; S166-D169 PolarHBondContact O-N 2.91Å; S166-D169 WeakPolarHBondContact OG-CB 3.25Å; S166-D169 PolarHBondContact OG-N 3.01Å; S166-D169 VanDerWaalsContact OG-N 3.08Å; S166-D169 PolarHBondContact OG-OD2 3.44Å; N167-D169 PolarHBondContact O-N 2.91Å; D169-R172 PolarHBondContact O-N 3.49Å; D169-R172 IonicContact OD1-CZ 3.98Å; D169-R172 IonicContact OD1-NH1 3.02Å; D169-R172 PolarHBondContact OD1-NH1 2.92Å; D169-Y173 WeakPolarHBondContact O-CB 3.37Å; D169-Y173 PolarHBondContact O-N 2.94Å
170	L	91.1	Very high	91	Very high	3 Å²	3	38 Å²	38	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-69.2	-40.6	173.5	-171.3	55.8	0	0	0	111.7	V155 I160 K163 V165 S166 N167 T168 R172 Y173 L174 L199	V155-L170 HydrophobicContact CG1-CD2 4.44Å; I160-L170 HydrophobicContact CB-CD2 4.36Å; I160-L170 HydrophobicContact CG1-CD2 3.74Å; I160-L170 HydrophobicContact CG2-CD2 4.33Å; K163-L170 HydrophobicContact CB-CD1 4.49Å; K163-L170 HydrophobicContact CG-CD1 4.15Å; V165-L170 HydrophobicContact CG2-CB 4.04Å; S166-L170 PolarHBondContact O-N 2.93Å; N167-L170 WeakPolarHBondContact O-CB 3.43Å; N167-L170 PolarHBondContact O-N 3.43Å; T168-L170 VanDerWaalsContact C-N 3.3Å; T168-L170 PolarHBondContact O-N 3.25Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.33Å; L170-Y173 HydrophobicContact CD1-CD1 4.03Å; L170-Y173 WeakPolarHBondContact O-CB 3.49Å; L170-Y173 PolarHBondContact O-N 2.82Å; L170-L174 WeakPolarHBondContact O-CG 3.48Å; L170-L174 PolarHBondContact O-N 3.38Å; L170-L199 HydrophobicContact CB-CD1 4.49Å; L170-L199 HydrophobicContact CD2-CD1 4.13Å; L170-L199 HydrophobicContact CD2-CD2 3.79Å; L170-L199 HydrophobicContact CG-CD2 4.2Å
171	F	91.1	Very high	91.1	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-43.1	171.7	-69.4	-49	0	0	0	111.9	F15 V17 L27 L32 N167 T168 Y173 L174 L175 V197 L199	F15-F171 HydrophobicContact CB-CD1 4.37Å; F15-F171 HydrophobicContact CB-CE1 4.05Å; F15-F171 HydrophobicContact CB-CE2 4.4Å; F15-F171 HydrophobicContact CB-CZ 4.08Å; F15-F171 HydrophobicContact CD1-CB 4.29Å; F15-F171 AromaticContact CD1-CD1 3.61Å; F15-F171 HydrophobicContact CD1-CD1 3.61Å; F15-F171 HydrophobicContact CD1-CE1 4.03Å; F15-F171 HydrophobicContact CD1-CG 4.01Å; F15-F171 HydrophobicContact CE1-CD1 4.47Å; F15-F171 HydrophobicContact CG-CD1 4.47Å; V17-F171 HydrophobicContact CG2-CE2 4.15Å; V17-F171 HydrophobicContact CG2-CZ 3.99Å; L27-F171 HydrophobicContact CB-CE2 4.34Å; L32-F171 HydrophobicContact CD1-CB 4.04Å; N167-F171 HydrophobicContact CB-CE2 4.34Å; N167-F171 WeakPolarHBondContact O-CD2 3.04Å; N167-F171 WeakPolarHBondContact O-CG 3.43Å; N167-F171 PolarHBondContact O-N 2.86Å; T168-F171 PolarHBondContact O-N 3.46Å; F171-Y173 VanDerWaalsContact C-N 3.33Å; F171-Y173 PolarHBondContact O-N 2.01Å; F171-L174 PolarHBondContact O-N 2.85Å; F171-L175 WeakPolarHBondContact O-CG 3.26Å; F171-L175 PolarHBondContact O-N 3.06Å; F171-V197 HydrophobicContact CD1-CB 4.26Å; F171-V197 HydrophobicContact CD1-CG1 3.76Å; F171-V197 HydrophobicContact CE1-CB 4.09Å; F171-V197 HydrophobicContact CE1-CG1 3.65Å; F171-L199 HydrophobicContact CD1-CD1 4.08Å; F171-L199 HydrophobicContact CD1-CG 4.3Å; F171-L199 HydrophobicContact CD2-CD1 4.44Å; F171-L199 HydrophobicContact CE1-CD1 3.59Å; F171-L199 HydrophobicContact CE1-CD2 4.15Å; F171-L199 HydrophobicContact CE1-CG 3.56Å; F171-L199 HydrophobicContact CE2-CD1 3.96Å; F171-L199 HydrophobicContact CG-CD1 4.49Å; F171-L199 HydrophobicContact CZ-CD1 3.52Å; F171-L199 HydrophobicContact CZ-CG 3.78Å
172	R	88.2	Confident	91.1	Very high	63 Å²	63	31.6 Å²	31.6	24%	0.238	16%	0.16	C	C	.	.	H	α-helix	trans	-59.7	-43.8	173.2	-73.3	174.7	-168.6	131.5	7.4	112.3	E29 L32 T168 D169 L170 L174 L175 D176	E29-R172 IonicContact OE2-NH2 3.26Å; L32-R172 HydrophobicContact CD2-CG 3.43Å; L32-R172 VanDerWaalsContact CD2-CG 3.43Å; L32-R172 VanDerWaalsContact CD2-NE 3.26Å; T168-R172 WeakPolarHBondContact O-CG 3.5Å; T168-R172 PolarHBondContact O-N 3.16Å; D169-R172 PolarHBondContact O-N 3.49Å; D169-R172 IonicContact OD1-CZ 3.98Å; D169-R172 IonicContact OD1-NH1 3.02Å; D169-R172 PolarHBondContact OD1-NH1 2.92Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.33Å; R172-L174 VanDerWaalsContact C-N 3.31Å; R172-L174 PolarHBondContact O-N 3.24Å; R172-L175 WeakPolarHBondContact O-CB 3.5Å; R172-L175 PolarHBondContact O-N 3.47Å; R172-D176 PolarHBondContact O-N 3.3Å
173	Y	90.9	Very high	91.1	Very high	29 Å²	29	26.7 Å²	26.7	11%	0.114	14%	0.143	C	C	.	.	H	α-helix	trans	-58	-44.3	176.4	168.9	-92.1	0	0	0	111.8	D169 L170 F171 D176 C177 D270 P272 I275	D169-Y173 WeakPolarHBondContact O-CB 3.37Å; D169-Y173 PolarHBondContact O-N 2.94Å; L170-Y173 HydrophobicContact CD1-CD1 4.03Å; L170-Y173 WeakPolarHBondContact O-CB 3.49Å; L170-Y173 PolarHBondContact O-N 2.82Å; F171-Y173 VanDerWaalsContact C-N 3.33Å; F171-Y173 PolarHBondContact O-N 2.01Å; Y173-D176 PolarHBondContact O-N 3.33Å; Y173-C177 PolarHBondContact O-N 3.14Å; Y173-C177 PolarHBondContact O-SG 3.29Å; Y173-D270 WeakPolarHBondContact CE2-O 3.35Å; Y173-D270 PolarHBondContact OH-O 2.8Å; Y173-P272 HydrophobicContact CD2-CG 3.82Å; Y173-P272 HydrophobicContact CE2-CG 3.69Å; Y173-I275 WeakPolarHBondContact OH-CG1 3.39Å
174	L	93.4	Very high	91.2	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-67.2	-39.2	177.3	-65	172.4	0	0	0	111.8	V153 V155 L170 F171 R172 D176 C177 V178 V197 L199 L238	V153-L174 HydrophobicContact CG1-CD1 4.47Å; V153-L174 HydrophobicContact CG1-CD2 4.13Å; V155-L174 HydrophobicContact CG2-CD1 3.82Å; V155-L174 HydrophobicContact CG2-CD2 4.37Å; L170-L174 WeakPolarHBondContact O-CG 3.48Å; L170-L174 PolarHBondContact O-N 3.38Å; F171-L174 PolarHBondContact O-N 2.85Å; R172-L174 VanDerWaalsContact C-N 3.31Å; R172-L174 PolarHBondContact O-N 3.24Å; L174-D176 VanDerWaalsContact C-N 3.32Å; L174-D176 PolarHBondContact O-N 3.15Å; L174-C177 WeakPolarHBondContact O-CA 3.05Å; L174-C177 VanDerWaalsContact O-CB 3.28Å; L174-C177 WeakPolarHBondContact O-CB 3Å; L174-C177 PolarHBondContact O-N 2.96Å; L174-C177 VanDerWaalsContact O-N 3.12Å; L174-V178 WeakPolarHBondContact O-CG2 3.27Å; L174-V178 PolarHBondContact O-N 3.25Å; L174-V197 HydrophobicContact CD1-CG1 3.43Å; L174-V197 VanDerWaalsContact CD1-CG1 3.43Å; L174-L199 HydrophobicContact CD1-CD2 4.31Å; L174-L238 HydrophobicContact CD2-CD1 3.57Å
175	L	91.9	Very high	91.2	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-40.9	172.6	-75.5	167.4	0	0	0	112	A9 F15 L32 L36 F171 R172 C177 V178 N179 L194	A9-L175 HydrophobicContact CB-CD2 4.09Å; F15-L175 HydrophobicContact CE1-CD2 4.39Å; F15-L175 HydrophobicContact CE1-CG 4.4Å; F15-L175 HydrophobicContact CZ-CD2 4.11Å; L32-L175 HydrophobicContact CB-CD1 3.71Å; L32-L175 HydrophobicContact CD1-CD1 4.3Å; L36-L175 HydrophobicContact CD1-CB 4.09Å; L36-L175 HydrophobicContact CD1-CD2 4.03Å; L36-L175 HydrophobicContact CD1-CG 4.49Å; F171-L175 WeakPolarHBondContact O-CG 3.26Å; F171-L175 PolarHBondContact O-N 3.06Å; R172-L175 WeakPolarHBondContact O-CB 3.5Å; R172-L175 PolarHBondContact O-N 3.47Å; L175-C177 VanDerWaalsContact C-N 3.31Å; L175-C177 PolarHBondContact O-N 3.08Å; L175-V178 PolarHBondContact O-N 3.34Å; L175-N179 WeakPolarHBondContact O-CB 3.41Å; L175-N179 PolarHBondContact O-N 3.39Å; L175-L194 HydrophobicContact CD2-CD2 3.86Å; L175-L194 HydrophobicContact CG-CD2 4.47Å
176	D	91.3	Very high	91.3	Very high	22 Å²	22	21 Å²	21	12%	0.118	10%	0.103	C	C	.	.	H	α-helix	trans	-63.6	-37	173.9	-78.3	-6.4	0	0	0	111.8	S52 S58 R172 Y173 L174 T180 P272	S52-D176 WeakPolarHBondContact CB-OD1 3.13Å; S52-D176 PolarHBondContact OG-OD1 3.37Å; S58-D176 PolarHBondContact OG-OD2 3.35Å; R172-D176 PolarHBondContact O-N 3.3Å; Y173-D176 PolarHBondContact O-N 3.33Å; L174-D176 VanDerWaalsContact C-N 3.32Å; L174-D176 PolarHBondContact O-N 3.15Å; D176-T180 PolarHBondContact O-N 3.14Å; D176-T180 PolarHBondContact O-OG1 3.37Å; D176-P272 HydrophobicContact CB-CB 3.95Å; D176-P272 HydrophobicContact CB-CG 3.8Å
177	C	93.5	Very high	91.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	9%	0.094	C	C	.	.	H	α-helix	trans	-62.5	-49.2	173.3	-61.2	0	0	0	0	110.4	Y173 L174 L175 T180 L181 P272 I275 S276	Y173-C177 PolarHBondContact O-N 3.14Å; Y173-C177 PolarHBondContact O-SG 3.29Å; L174-C177 WeakPolarHBondContact O-CA 3.05Å; L174-C177 VanDerWaalsContact O-CB 3.28Å; L174-C177 WeakPolarHBondContact O-CB 3Å; L174-C177 PolarHBondContact O-N 2.96Å; L174-C177 VanDerWaalsContact O-N 3.12Å; L175-C177 VanDerWaalsContact C-N 3.31Å; L175-C177 PolarHBondContact O-N 3.08Å; C177-T180 PolarHBondContact O-N 3.1Å; C177-L181 WeakPolarHBondContact O-CB 3.4Å; C177-L181 PolarHBondContact O-N 3.01Å; C177-P272 HydrophobicContact CB-CB 4.48Å; C177-P272 VanDerWaalsContact SG-CA 3.51Å; C177-I275 HydrophobicContact CB-CB 4.48Å; C177-I275 HydrophobicContact CB-CG2 4.41Å; C177-S276 WeakPolarHBondContact CA-OG 3.41Å; C177-S276 WeakPolarHBondContact O-CB 3.43Å; C177-S276 PolarHBondContact O-OG 3.46Å
178	V	94.9	Very high	91	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-70.7	-35.5	-177.5	179.5	0	0	0	0	111.8	L8 L151 L174 L175 T180 L181 D182 V192 L194	L8-V178 HydrophobicContact CD1-CG1 3.9Å; L8-V178 HydrophobicContact CG-CG1 4.25Å; L151-V178 HydrophobicContact CD2-CG1 4.31Å; L151-V178 HydrophobicContact CD2-CG2 3.77Å; L174-V178 WeakPolarHBondContact O-CG2 3.27Å; L174-V178 PolarHBondContact O-N 3.25Å; L175-V178 PolarHBondContact O-N 3.34Å; V178-T180 VanDerWaalsContact C-N 3.3Å; V178-T180 PolarHBondContact O-N 2.98Å; V178-L181 WeakPolarHBondContact O-CB 3.26Å; V178-L181 PolarHBondContact O-N 2.97Å; V178-L181 VanDerWaalsContact O-N 3.16Å; V178-D182 PolarHBondContact O-N 3.16Å; V178-V192 HydrophobicContact CG1-CB 4.4Å; V178-V192 HydrophobicContact CG1-CG1 3.74Å; V178-L194 HydrophobicContact CB-CD2 4.49Å; V178-L194 HydrophobicContact CG1-CB 4.19Å; V178-L194 HydrophobicContact CG2-CB 4.49Å; V178-L194 HydrophobicContact CG2-CD1 4.11Å; V178-L194 HydrophobicContact CG2-CD2 4.03Å; V178-L194 HydrophobicContact CG2-CG 4.45Å
179	N	93.4	Very high	91	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-59.2	-41.5	175.2	-169.6	22.5	0	0	0	111.8	L8 L36 H38 L51 L175	L8-N179 HydrophobicContact CD2-CB 3.81Å; L36-N179 HydrophobicContact CD2-CB 4.46Å; H38-N179 PolarHBondContact CD2-OD1 3.02Å; H38-N179 PolarHBondContact NE2-O 3.33Å; H38-N179 PolarHBondContact NE2-OD1 2.74Å; L51-N179 PolarHBondContact O-ND2 3.18Å; L51-N179 VanDerWaalsContact O-ND2 3.09Å; L175-N179 WeakPolarHBondContact O-CB 3.41Å; L175-N179 PolarHBondContact O-N 3.39Å
180	T	92.2	Very high	91.1	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-76	-34.9	175.2	-57.8	0	0	0	0	112.1	T60 D176 C177 V178 L183 F184 V273 S276	T60-T180 HydrophobicContact CG2-CG2 4.05Å; T60-T180 PolarHBondContact OG1-OG1 3.35Å; D176-T180 PolarHBondContact O-N 3.14Å; D176-T180 PolarHBondContact O-OG1 3.37Å; C177-T180 PolarHBondContact O-N 3.1Å; V178-T180 VanDerWaalsContact C-N 3.3Å; V178-T180 PolarHBondContact O-N 2.98Å; T180-L183 WeakPolarHBondContact O-CB 3.2Å; T180-L183 PolarHBondContact O-N 2.7Å; T180-F184 HydrophobicContact CG2-CD2 4.36Å; T180-F184 HydrophobicContact CG2-CE2 3.69Å; T180-F184 HydrophobicContact CG2-CZ 4.06Å; T180-F184 WeakPolarHBondContact O-CD2 3.32Å; T180-F184 PolarHBondContact O-N 3.19Å; T180-V273 HydrophobicContact CG2-CG2 4.32Å; T180-S276 WeakPolarHBondContact CB-OG 3.41Å
181	L	94.6	Very high	91.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.2	-44.7	174.2	171.6	60.9	0	0	0	111.9	L151 C177 V178 L183 F184 L185 V192 M279 T280 I283	L151-L181 HydrophobicContact CD2-CD2 3.89Å; C177-L181 WeakPolarHBondContact O-CB 3.4Å; C177-L181 PolarHBondContact O-N 3.01Å; V178-L181 WeakPolarHBondContact O-CB 3.26Å; V178-L181 PolarHBondContact O-N 2.97Å; V178-L181 VanDerWaalsContact O-N 3.16Å; L181-L183 VanDerWaalsContact C-N 3.25Å; L181-L183 PolarHBondContact O-N 3.2Å; L181-F184 PolarHBondContact O-N 2.95Å; L181-L185 HydrophobicContact CD1-CD1 3.65Å; L181-L185 HydrophobicContact CD1-CG 4.08Å; L181-L185 HydrophobicContact CG-CD1 3.96Å; L181-L185 PolarHBondContact O-N 2.83Å; L181-V192 HydrophobicContact CD2-CG1 4.25Å; L181-V192 HydrophobicContact CD2-CG2 4.25Å; L181-V192 HydrophobicContact CG-CG2 4.13Å; L181-M279 HydrophobicContact CD1-CB 4.04Å; L181-M279 HydrophobicContact CD2-CB 4.03Å; L181-M279 HydrophobicContact CD2-CE 3.99Å; L181-M279 HydrophobicContact CD2-SD 4.15Å; L181-T280 WeakPolarHBondContact CD1-OG1 3.13Å; L181-I283 HydrophobicContact CD1-CD1 4.15Å; L181-I283 HydrophobicContact CD2-CD1 4.02Å
182	D	94.1	Very high	91.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.1	-38.1	177.5	-172.5	49.5	0	0	0	111.1	L8 H38 V178 F184 L185 R186 R191 V192	L8-D182 HydrophobicContact CD1-CB 3.51Å; H38-D182 IonicContact CE1-OD2 3.21Å; H38-D182 PolarHBondContact CE1-OD2 3.45Å; H38-D182 IonicContact ND1-OD2 3.61Å; V178-D182 PolarHBondContact O-N 3.16Å; D182-F184 VanDerWaalsContact C-N 3.35Å; D182-F184 PolarHBondContact O-N 3.34Å; D182-L185 PolarHBondContact O-N 2.81Å; D182-R186 WeakPolarHBondContact O-CB 3.37Å; D182-R186 WeakPolarHBondContact O-CG 3.46Å; D182-R186 PolarHBondContact O-N 2.83Å; D182-R191 WeakPolarHBondContact OD1-CA 3.44Å; D182-R191 IonicContact OD1-CZ 3.75Å; D182-R191 IonicContact OD1-NE 2.72Å; D182-R191 PolarHBondContact OD1-NE 3.35Å; D182-R191 IonicContact OD2-CZ 3.71Å; D182-R191 VanDerWaalsContact OD2-CZ 3.31Å; D182-R191 IonicContact OD2-NE 3.52Å; D182-R191 PolarHBondContact OD2-NE 3.07Å; D182-R191 IonicContact OD2-NH2 3.23Å; D182-R191 PolarHBondContact OD2-NH2 2.9Å; D182-V192 PolarHBondContact OD1-N 2.87Å
183	L	90.5	Very high	91.3	Very high	14 Å²	14	17.8 Å²	17.8	7%	0.073	8%	0.08	C	C	.	.	H	α-helix	trans	-61.3	-40.3	173.8	-72.4	-176.3	0	0	0	113.4	H38 A50 I62 T180 L181	H38-L183 HydrophobicContact CB-CD2 4.44Å; A50-L183 HydrophobicContact CB-CD1 3.3Å; A50-L183 HydrophobicContact CB-CG 3.81Å; I62-L183 HydrophobicContact CD1-CD1 4.39Å; T180-L183 WeakPolarHBondContact O-CB 3.2Å; T180-L183 PolarHBondContact O-N 2.7Å; L181-L183 VanDerWaalsContact C-N 3.25Å; L181-L183 PolarHBondContact O-N 3.2Å
184	F	90.8	Very high	91.4	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	7%	0.074	C	C	.	.	H	α-helix	trans	-69.9	-42.2	179.8	-64.7	-49.2	0	0	0	111.5	I62 T180 L181 D182 Q187 L277 T280 I306	I62-F184 HydrophobicContact CD1-CD1 4.28Å; I62-F184 HydrophobicContact CD1-CE1 3.61Å; I62-F184 HydrophobicContact CD1-CZ 4.24Å; T180-F184 HydrophobicContact CG2-CD2 4.36Å; T180-F184 HydrophobicContact CG2-CE2 3.69Å; T180-F184 HydrophobicContact CG2-CZ 4.06Å; T180-F184 WeakPolarHBondContact O-CD2 3.32Å; T180-F184 PolarHBondContact O-N 3.19Å; L181-F184 PolarHBondContact O-N 2.95Å; D182-F184 VanDerWaalsContact C-N 3.35Å; D182-F184 PolarHBondContact O-N 3.34Å; F184-Q187 WeakPolarHBondContact O-CB 3.31Å; F184-Q187 VanDerWaalsContact O-CG 3.3Å; F184-Q187 WeakPolarHBondContact O-CG 3.34Å; F184-Q187 PolarHBondContact O-N 2.84Å; F184-L277 HydrophobicContact CD2-CD2 4.17Å; F184-L277 HydrophobicContact CE1-CD2 4.06Å; F184-L277 HydrophobicContact CE2-CD2 3.57Å; F184-L277 HydrophobicContact CE2-CG 3.75Å; F184-L277 HydrophobicContact CZ-CD2 3.53Å; F184-L277 HydrophobicContact CZ-CG 3.93Å; F184-T280 HydrophobicContact CB-CG2 3.66Å; F184-T280 WeakPolarHBondContact CB-OG1 3.19Å; F184-T280 WeakPolarHBondContact CD2-OG1 3.36Å; F184-I306 HydrophobicContact CB-CD1 4.33Å; F184-I306 HydrophobicContact CD1-CD1 4.47Å
185	L	92.6	Very high	91.1	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-75.4	-24.7	-179.5	-71.1	172.2	0	0	0	113.5	L181 D182 Q187 I188 N189 V190 V192 T280 I283 F327	L181-L185 HydrophobicContact CD1-CD1 3.65Å; L181-L185 HydrophobicContact CD1-CG 4.08Å; L181-L185 HydrophobicContact CG-CD1 3.96Å; L181-L185 PolarHBondContact O-N 2.83Å; D182-L185 PolarHBondContact O-N 2.81Å; L185-Q187 PolarHBondContact O-N 3.3Å; L185-Q187 VanDerWaalsContact O-N 3.08Å; L185-I188 HydrophobicContact CD2-CD1 4.01Å; L185-I188 HydrophobicContact CD2-CG1 4.44Å; L185-I188 WeakPolarHBondContact O-CG1 2.88Å; L185-I188 PolarHBondContact O-N 2.83Å; L185-N189 PolarHBondContact O-N 2.91Å; L185-V190 CarbonylContact C-O 3.53Å; L185-V190 HydrophobicContact CB-CB 4.26Å; L185-V190 PolarHBondContact O-N 3.23Å; L185-V192 HydrophobicContact CB-CG2 4.43Å; L185-V192 HydrophobicContact CD1-CG2 3.22Å; L185-V192 HydrophobicContact CG-CG2 4.41Å; L185-T280 HydrophobicContact CD2-CG2 4.08Å; L185-T280 HydrophobicContact CG-CG2 4.31Å; L185-I283 HydrophobicContact CD1-CD1 3.85Å; L185-I283 HydrophobicContact CD1-CG2 4.11Å; L185-I283 HydrophobicContact CD2-CG2 3.89Å; L185-F327 HydrophobicContact CD2-CE2 4.3Å; L185-F327 HydrophobicContact CD2-CZ 4.34Å
186	R	89.3	Confident	91	Very high	108 Å²	108	17.7 Å²	17.7	41%	0.408	8%	0.081	S	C	.	.	H	α-helix	trans	-56.1	-26.6	169.7	-82.9	175.2	72.1	170.6	4.4	113	H38 D182 I188 N189 V190	H38-R186 PolarHBondContact ND1-NH1 3.22Å; D182-R186 WeakPolarHBondContact O-CB 3.37Å; D182-R186 WeakPolarHBondContact O-CG 3.46Å; D182-R186 PolarHBondContact O-N 2.83Å; R186-I188 PolarHBondContact O-N 2.97Å; R186-N189 PolarHBondContact O-N 2.63Å; R186-V190 PolarHBondContact N-O 2.84Å
187	Q	86.6	Confident	91.1	Very high	48 Å²	48	16.6 Å²	16.6	22%	0.224	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.9	176.2	-58	-178.4	41.1	0	0	113.7	F184 L185 Y325 L326 F327 K332	F184-Q187 WeakPolarHBondContact O-CB 3.31Å; F184-Q187 VanDerWaalsContact O-CG 3.3Å; F184-Q187 WeakPolarHBondContact O-CG 3.34Å; F184-Q187 PolarHBondContact O-N 2.84Å; L185-Q187 PolarHBondContact O-N 3.3Å; L185-Q187 VanDerWaalsContact O-N 3.08Å; Q187-Y325 PolarHBondContact NE2-O 3.29Å; Q187-L326 VanDerWaalsContact OE1-CD2 3.31Å; Q187-F327 HydrophobicContact CB-CD2 4.07Å; Q187-K332 VanDerWaalsContact O-CE 3.3Å; Q187-K332 WeakPolarHBondContact O-CE 3.37Å
188	I	86.8	Confident	91	Very high	10 Å²	10	16.9 Å²	16.9	5%	0.051	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	16.2	174.9	60.2	168.3	0	0	0	112.6	R147 L185 R186 V190 L287 F327 K332 F335	R147-I188 PolarHBondContact NH1-O 2.6Å; L185-I188 HydrophobicContact CD2-CD1 4.01Å; L185-I188 HydrophobicContact CD2-CG1 4.44Å; L185-I188 WeakPolarHBondContact O-CG1 2.88Å; L185-I188 PolarHBondContact O-N 2.83Å; R186-I188 PolarHBondContact O-N 2.97Å; I188-V190 HydrophobicContact CD1-CG2 4.15Å; I188-V190 HydrophobicContact CG1-CB 4.36Å; I188-V190 HydrophobicContact CG1-CG2 4.07Å; I188-L287 HydrophobicContact CD1-CD1 3.99Å; I188-F327 HydrophobicContact CD1-CE2 4.32Å; I188-F327 HydrophobicContact CD1-CZ 4.3Å; I188-F327 HydrophobicContact CG1-CE2 4.35Å; I188-F327 HydrophobicContact CG2-CB 3.78Å; I188-F327 HydrophobicContact CG2-CD1 4.18Å; I188-F327 HydrophobicContact CG2-CD2 3.64Å; I188-F327 HydrophobicContact CG2-CE2 4.18Å; I188-F327 HydrophobicContact CG2-CG 3.61Å; I188-K332 HydrophobicContact CG2-CG 4.02Å; I188-F335 HydrophobicContact CB-CD1 3.99Å; I188-F335 HydrophobicContact CB-CE1 4.29Å; I188-F335 HydrophobicContact CD1-CD1 4.26Å; I188-F335 HydrophobicContact CD1-CE1 4.27Å; I188-F335 HydrophobicContact CD1-CG 4.4Å; I188-F335 HydrophobicContact CD1-CZ 4.44Å; I188-F335 HydrophobicContact CG1-CD1 4.49Å; I188-F335 HydrophobicContact CG1-CE1 4.43Å; I188-F335 VanDerWaalsContact O-CE1 3.29Å; I188-F335 WeakPolarHBondContact O-CE1 3.04Å
189	N	86.3	Confident	91	Very high	82 Å²	82	16.8 Å²	16.8	44%	0.439	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	47.8	-175.3	-86.6	5.6	0	0	0	112.7	R143 R147 L185 R186	R143-N189 PolarHBondContact O-ND2 2.89Å; R147-N189 WeakPolarHBondContact CB-O 3.45Å; R147-N189 VanDerWaalsContact NH1-CB 3.31Å; R147-N189 PolarHBondContact NH1-O 2.84Å; L185-N189 PolarHBondContact O-N 2.91Å; R186-N189 PolarHBondContact O-N 2.63Å
190	V	90.2	Very high	91	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.076	C	C	.	.			trans	-121.9	133.7	167	177.2	0	0	0	0	107.8	R147 L149 L185 R186 I188 F335	R147-V190 HydrophobicContact CB-CG2 4.25Å; R147-V190 CarbonylContact O-C 3.46Å; L149-V190 HydrophobicContact CB-CG1 3.86Å; L149-V190 HydrophobicContact CD1-CG1 4.47Å; L185-V190 CarbonylContact C-O 3.53Å; L185-V190 HydrophobicContact CB-CB 4.26Å; L185-V190 PolarHBondContact O-N 3.23Å; R186-V190 PolarHBondContact N-O 2.84Å; I188-V190 HydrophobicContact CD1-CG2 4.15Å; I188-V190 HydrophobicContact CG1-CB 4.36Å; I188-V190 HydrophobicContact CG1-CG2 4.07Å; V190-F335 HydrophobicContact CG2-CE1 3.71Å; V190-F335 HydrophobicContact CG2-CE2 4.46Å; V190-F335 HydrophobicContact CG2-CZ 3.44Å; V190-F335 VanDerWaalsContact CG2-CZ 3.44Å
191	R	91	Very high	90.9	Very high	47 Å²	47	18.5 Å²	18.5	18%	0.177	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137.6	171.6	-61.6	-57.9	-57.1	-73	0.6	108.7	V7 R147 Y148 L149 D182	V7-R191 HydrophobicContact CG2-CB 3.77Å; V7-R191 HydrophobicContact CG2-CG 4.31Å; R147-R191 PolarHBondContact O-N 2.84Å; Y148-R191 CarbonylContact C-O 3.55Å; Y148-R191 VanDerWaalsContact CA-O 3.24Å; Y148-R191 WeakPolarHBondContact CA-O 3.48Å; Y148-R191 HydrophobicContact CD1-CB 3.85Å; Y148-R191 HydrophobicContact CD1-CG 4.41Å; Y148-R191 HydrophobicContact CE1-CB 4.22Å; Y148-R191 HydrophobicContact CE1-CG 4.3Å; L149-R191 PolarHBondContact N-O 2.93Å; D182-R191 WeakPolarHBondContact OD1-CA 3.44Å; D182-R191 IonicContact OD1-CZ 3.75Å; D182-R191 IonicContact OD1-NE 2.72Å; D182-R191 PolarHBondContact OD1-NE 3.35Å; D182-R191 IonicContact OD2-CZ 3.71Å; D182-R191 VanDerWaalsContact OD2-CZ 3.31Å; D182-R191 IonicContact OD2-NE 3.52Å; D182-R191 PolarHBondContact OD2-NE 3.07Å; D182-R191 IonicContact OD2-NH2 3.23Å; D182-R191 PolarHBondContact OD2-NH2 2.9Å
192	V	92.8	Very high	90.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	142.5	175.2	178.6	0	0	0	0	110.2	L151 V178 L181 D182 L185	L151-V192 HydrophobicContact CB-CG1 3.81Å; L151-V192 HydrophobicContact CD2-CG1 3.68Å; L151-V192 HydrophobicContact CG-CG1 4.41Å; V178-V192 HydrophobicContact CG1-CB 4.4Å; V178-V192 HydrophobicContact CG1-CG1 3.74Å; L181-V192 HydrophobicContact CD2-CG1 4.25Å; L181-V192 HydrophobicContact CD2-CG2 4.25Å; L181-V192 HydrophobicContact CG-CG2 4.13Å; D182-V192 PolarHBondContact OD1-N 2.87Å; L185-V192 HydrophobicContact CB-CG2 4.43Å; L185-V192 HydrophobicContact CD1-CG2 3.22Å; L185-V192 HydrophobicContact CG-CG2 4.41Å
193	S	90.5	Very high	90.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	112.5	174.8	-162	0	0	0	0	109.3	V7 P10 L149 L151 V195 P351	V7-S193 VanDerWaalsContact O-CA 3.27Å; V7-S193 WeakPolarHBondContact O-CA 3.43Å; V7-S193 WeakPolarHBondContact O-CB 3.32Å; V7-S193 PolarHBondContact O-OG 3.36Å; P10-S193 WeakPolarHBondContact CD-OG 3.3Å; P10-S193 WeakPolarHBondContact CG-OG 3.34Å; L149-S193 PolarHBondContact O-N 3.37Å; L151-S193 PolarHBondContact N-O 3.35Å; S193-V195 PolarHBondContact O-N 3.14Å; S193-V195 VanDerWaalsContact O-N 3.14Å; S193-P351 WeakPolarHBondContact OG-CG 3.03Å
194	L	92.3	Very high	90.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	94.7	177.4	-174.4	59.9	0	0	0	109.4	L8 P10 A13 F15 L151 V153 L175 V178 V197	L8-L194 WeakPolarHBondContact O-CB 3.47Å; L8-L194 PolarHBondContact O-N 2.88Å; P10-L194 WeakPolarHBondContact CD-O 3.28Å; A13-L194 VanDerWaalsContact CB-O 3.24Å; A13-L194 WeakPolarHBondContact CB-O 3.49Å; F15-L194 HydrophobicContact CE1-CD2 4.06Å; F15-L194 HydrophobicContact CZ-CD2 4.09Å; L151-L194 HydrophobicContact CD2-CD1 4.16Å; L151-L194 HydrophobicContact CG-CD1 4.14Å; V153-L194 HydrophobicContact CB-CD1 4.4Å; V153-L194 HydrophobicContact CG2-CD1 3.77Å; L175-L194 HydrophobicContact CD2-CD2 3.86Å; L175-L194 HydrophobicContact CG-CD2 4.47Å; V178-L194 HydrophobicContact CB-CD2 4.49Å; V178-L194 HydrophobicContact CG1-CB 4.19Å; V178-L194 HydrophobicContact CG2-CB 4.49Å; V178-L194 HydrophobicContact CG2-CD1 4.11Å; V178-L194 HydrophobicContact CG2-CD2 4.03Å; V178-L194 HydrophobicContact CG2-CG 4.45Å; L194-V197 HydrophobicContact CD1-CG2 3.72Å; L194-V197 HydrophobicContact CD2-CG2 3.62Å; L194-V197 HydrophobicContact CG-CG2 3.73Å
195	V	87.9	Confident	90.6	Very high	17 Å²	17	31.6 Å²	31.6	10%	0.103	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-25.9	-174.7	-60.6	0	0	0	0	112.7	P10 A13 K14 E150 L151 S193 Q232	P10-V195 HydrophobicContact CG-CG1 3.9Å; A13-V195 CarbonylContact C-O 3.59Å; A13-V195 VanDerWaalsContact CA-O 3.28Å; A13-V195 WeakPolarHBondContact CA-O 3.4Å; K14-V195 PolarHBondContact N-O 3.34Å; E150-V195 HydrophobicContact CB-CG1 3.9Å; E150-V195 HydrophobicContact CB-CG2 4.18Å; E150-V195 HydrophobicContact CG-CG1 4Å; L151-V195 WeakPolarHBondContact O-CG2 3.47Å; L151-V195 PolarHBondContact O-N 3.33Å; S193-V195 PolarHBondContact O-N 3.14Å; S193-V195 VanDerWaalsContact O-N 3.14Å; V195-Q232 HydrophobicContact CG2-CB 4.15Å
196	H	89.8	Confident	90.6	Very high	16 Å²	16	32.4 Å²	32.4	7%	0.074	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	134.2	-177.1	-177.5	-143.1	0	0	0	111.6	K14 T16 L151 S152 V153 E198 T230	K14-H196 CarbonylContact O-C 3.44Å; K14-H196 WeakPolarHBondContact O-CA 3.38Å; T16-H196 PolarHBondContact OG1-NE2 2.79Å; L151-H196 PolarHBondContact O-N 2.97Å; S152-H196 CarbonylContact C-O 3.58Å; S152-H196 VanDerWaalsContact CA-O 3.29Å; S152-H196 WeakPolarHBondContact CA-O 3.27Å; S152-H196 PolarHBondContact OG-ND1 3.1Å; S152-H196 VanDerWaalsContact OG-ND1 3.15Å; V153-H196 PolarHBondContact N-O 2.87Å; H196-E198 IonicContact CE1-OE2 2.85Å; H196-E198 PolarHBondContact CE1-OE2 3.21Å; H196-E198 IonicContact NE2-OE2 2.8Å; H196-T230 HydrophobicContact CB-CG2 4.31Å
197	V	92.4	Very high	90.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.6	166.7	-175.8	0	0	0	0	109.3	K14 F15 T16 V153 F171 L174 L194 L199	K14-V197 PolarHBondContact O-N 3.28Å; F15-V197 HydrophobicContact CD1-CB 3.88Å; F15-V197 HydrophobicContact CD1-CG2 3.84Å; F15-V197 HydrophobicContact CE1-CB 4.22Å; F15-V197 HydrophobicContact CE1-CG2 3.64Å; F15-V197 HydrophobicContact CZ-CG2 4.42Å; T16-V197 PolarHBondContact N-O 2.87Å; T16-V197 PolarHBondContact OG1-O 2.9Å; V153-V197 VanDerWaalsContact O-CA 3.25Å; V153-V197 WeakPolarHBondContact O-CA 3.14Å; F171-V197 HydrophobicContact CD1-CB 4.26Å; F171-V197 HydrophobicContact CD1-CG1 3.76Å; F171-V197 HydrophobicContact CE1-CB 4.09Å; F171-V197 HydrophobicContact CE1-CG1 3.65Å; L174-V197 HydrophobicContact CD1-CG1 3.43Å; L174-V197 VanDerWaalsContact CD1-CG1 3.43Å; L194-V197 HydrophobicContact CD1-CG2 3.72Å; L194-V197 HydrophobicContact CD2-CG2 3.62Å; L194-V197 HydrophobicContact CG-CG2 3.73Å; V197-L199 HydrophobicContact CG1-CD2 4.32Å
198	E	92.1	Very high	91.1	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.033	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127	176.8	-166.9	175.1	123	0	0	111.1	T16 F18 L24 V153 L154 V155 H196 W200 R205	T16-E198 WeakPolarHBondContact O-CA 3.27Å; T16-E198 WeakPolarHBondContact OG1-CA 3.39Å; T16-E198 WeakPolarHBondContact OG1-CB 3.49Å; F18-E198 HydrophobicContact CB-CG 4.15Å; L24-E198 HydrophobicContact CD1-CG 4.21Å; V153-E198 PolarHBondContact O-N 3.05Å; L154-E198 HydrophobicContact CD2-CB 3.7Å; V155-E198 PolarHBondContact N-O 3.38Å; H196-E198 IonicContact CE1-OE2 2.85Å; H196-E198 PolarHBondContact CE1-OE2 3.21Å; H196-E198 IonicContact NE2-OE2 2.8Å; E198-W200 PolarHBondContact OE1-NE1 2.82Å; E198-R205 WeakPolarHBondContact OE1-CD 3.37Å; E198-R205 IonicContact OE1-NE 3.41Å; E198-R205 IonicContact OE1-NH1 2.77Å
199	L	94.3	Very high	91.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.5	176.6	-56.3	-176.2	0	0	0	110.6	T16 V17 F18 V155 I160 N167 L170 F171 L174 V197 T201	T16-L199 PolarHBondContact O-N 3.22Å; V17-L199 HydrophobicContact CG2-CD1 4.4Å; F18-L199 PolarHBondContact N-O 2.88Å; V155-L199 HydrophobicContact CB-CD2 3.76Å; V155-L199 HydrophobicContact CG2-CD2 3.65Å; I160-L199 HydrophobicContact CD1-CB 3.83Å; N167-L199 HydrophobicContact CB-CD1 3.91Å; L170-L199 HydrophobicContact CB-CD1 4.49Å; L170-L199 HydrophobicContact CD2-CD1 4.13Å; L170-L199 HydrophobicContact CD2-CD2 3.79Å; L170-L199 HydrophobicContact CG-CD2 4.2Å; F171-L199 HydrophobicContact CD1-CD1 4.08Å; F171-L199 HydrophobicContact CD1-CG 4.3Å; F171-L199 HydrophobicContact CD2-CD1 4.44Å; F171-L199 HydrophobicContact CE1-CD1 3.59Å; F171-L199 HydrophobicContact CE1-CD2 4.15Å; F171-L199 HydrophobicContact CE1-CG 3.56Å; F171-L199 HydrophobicContact CE2-CD1 3.96Å; F171-L199 HydrophobicContact CG-CD1 4.49Å; F171-L199 HydrophobicContact CZ-CD1 3.52Å; F171-L199 HydrophobicContact CZ-CG 3.78Å; L174-L199 HydrophobicContact CD1-CD2 4.31Å; V197-L199 HydrophobicContact CG1-CD2 4.32Å; L199-T201 HydrophobicContact CB-CG2 4.3Å; L199-T201 PolarHBondContact O-N 3.23Å; L199-T201 VanDerWaalsContact O-N 3.15Å
200	W	94.3	Very high	91	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	74.8	179.7	-62.5	-12.2	0	0	0	112.1	L154 V155 K157 I160 E198 Q202 N204 R205 I206 F222 L237	L154-W200 HydrophobicContact CB-CZ2 4.17Å; L154-W200 HydrophobicContact CD1-CH2 4.41Å; L154-W200 HydrophobicContact CD1-CZ2 3.92Å; V155-W200 WeakPolarHBondContact O-CB 3.26Å; V155-W200 PolarHBondContact O-N 3.36Å; K157-W200 WeakPolarHBondContact CA-O 3.2Å; K157-W200 WeakPolarHBondContact CB-O 3.27Å; K157-W200 PolarHBondContact N-O 3.2Å; I160-W200 VanDerWaalsContact CD1-N 3.35Å; E198-W200 PolarHBondContact OE1-NE1 2.82Å; W200-Q202 PolarHBondContact O-N 2.76Å; W200-N204 HydrophobicContact CE3-CB 3.81Å; W200-N204 HydrophobicContact CZ3-CB 4.16Å; W200-R205 HydrophobicContact CD2-CB 4.38Å; W200-R205 HydrophobicContact CD2-CG 4.2Å; W200-R205 HydrophobicContact CG-CG 4.28Å; W200-R205 HydrophobicContact CH2-CB 4.32Å; W200-R205 HydrophobicContact CZ2-CB 3.78Å; W200-R205 HydrophobicContact CZ2-CG 4.27Å; W200-I206 HydrophobicContact CH2-CB 4.28Å; W200-I206 HydrophobicContact CH2-CD1 4.12Å; W200-I206 HydrophobicContact CH2-CG1 3.71Å; W200-I206 HydrophobicContact CH2-CG2 3.99Å; W200-I206 HydrophobicContact CZ3-CD1 4.47Å; W200-I206 HydrophobicContact CZ3-CG1 3.82Å; W200-F222 HydrophobicContact CZ2-CZ 4.4Å; W200-L237 HydrophobicContact CE3-CD1 4.47Å; W200-L237 HydrophobicContact CH2-CD1 4.03Å; W200-L237 HydrophobicContact CZ3-CD1 3.84Å
201	T	89.9	Confident	90.6	Very high	39 Å²	39	35.5 Å²	35.5	24%	0.239	18%	0.184	C	C	.	.	S	Bend	trans	-73.6	-26.5	-169.2	57.3	0	0	0	0	115.3	V17 F18 I160 L199	V17-T201 HydrophobicContact CG1-CG2 3.53Å; F18-T201 PolarHBondContact O-N 3.12Å; F18-T201 PolarHBondContact O-OG1 3.47Å; F18-T201 VanDerWaalsContact O-OG1 3.06Å; I160-T201 HydrophobicContact CD1-CG2 4.22Å; I160-T201 HydrophobicContact CG2-CG2 4.5Å; L199-T201 HydrophobicContact CB-CG2 4.3Å; L199-T201 PolarHBondContact O-N 3.23Å; L199-T201 VanDerWaalsContact O-N 3.15Å
202	Q	87	Confident	90.3	Very high	85 Å²	85	33.4 Å²	33.4	40%	0.397	18%	0.176	S	C	.	.	S	Bend	trans	-109.4	-46.9	-175.2	-68.7	-176.2	-6.4	0	0	113.2	S19 K157 W200	S19-Q202 VanDerWaalsContact OG-CD 3.31Å; S19-Q202 PolarHBondContact OG-NE2 3.41Å; S19-Q202 PolarHBondContact OG-OE1 3.13Å; K157-Q202 WeakPolarHBondContact CD-O 3.49Å; K157-Q202 WeakPolarHBondContact CE-O 3.4Å; K157-Q202 PolarHBondContact NZ-O 3.44Å; W200-Q202 PolarHBondContact O-N 2.76Å
203	E	90.2	Very high	89.7	Confident	65 Å²	65	35.4 Å²	35.4	30%	0.304	19%	0.188	S	C	.	.	S	Bend	trans	-145.1	147.6	179.9	69.1	-177.7	175.8	0	0	110.3	F18 K20	F18-E203 HydrophobicContact CE1-CG 3.75Å; K20-E203 WeakPolarHBondContact CD-OE1 3.44Å; K20-E203 WeakPolarHBondContact CE-OE1 3.36Å; K20-E203 WeakPolarHBondContact CG-OE1 3.39Å; K20-E203 VanDerWaalsContact NZ-CD 3.31Å; K20-E203 IonicContact NZ-OE1 2.77Å; K20-E203 PolarHBondContact NZ-OE1 3.01Å; K20-E203 IonicContact NZ-OE2 3.89Å; K20-E203 PolarHBondContact NZ-OE2 2.97Å
204	N	93.4	Very high	89.4	Confident	44 Å²	44	37.6 Å²	37.6	24%	0.235	20%	0.203	C	C	.	.			trans	-73.4	136.4	173.6	-65.7	-31.9	0	0	0	109.6	E156 K157 E158 W200 I206	E156-N204 WeakPolarHBondContact CG-ND2 3.47Å; E156-N204 VanDerWaalsContact CG-OD1 3.3Å; E156-N204 WeakPolarHBondContact CG-OD1 3.3Å; K157-N204 VanDerWaalsContact CB-OD1 3.25Å; K157-N204 WeakPolarHBondContact CB-OD1 3.36Å; K157-N204 PolarHBondContact N-OD1 2.9Å; E158-N204 PolarHBondContact OE2-ND2 2.84Å; W200-N204 HydrophobicContact CE3-CB 3.81Å; W200-N204 HydrophobicContact CZ3-CB 4.16Å; N204-I206 VanDerWaalsContact C-N 3.26Å; N204-I206 WeakPolarHBondContact CB-O 3.37Å; N204-I206 PolarHBondContact O-N 3.15Å
205	R	92.1	Very high	89.3	Confident	96 Å²	96	37.6 Å²	37.6	36%	0.362	20%	0.203	S	C	.	.	S	Bend	trans	-82.6	-8	179.3	-54.9	-164.9	93.5	-166.3	5.2	113.4	F18 E198 W200 F222	F18-R205 HydrophobicContact CD1-CG 3.51Å; F18-R205 HydrophobicContact CE1-CG 3.52Å; F18-R205 VanDerWaalsContact CE2-NH2 3.25Å; F18-R205 HydrophobicContact CG-CG 4.08Å; F18-R205 HydrophobicContact CZ-CG 4.12Å; E198-R205 WeakPolarHBondContact OE1-CD 3.37Å; E198-R205 IonicContact OE1-NE 3.41Å; E198-R205 IonicContact OE1-NH1 2.77Å; W200-R205 HydrophobicContact CD2-CB 4.38Å; W200-R205 HydrophobicContact CD2-CG 4.2Å; W200-R205 HydrophobicContact CG-CG 4.28Å; W200-R205 HydrophobicContact CH2-CB 4.32Å; W200-R205 HydrophobicContact CZ2-CB 3.78Å; W200-R205 HydrophobicContact CZ2-CG 4.27Å; R205-F222 HydrophobicContact CB-CD2 4.17Å; R205-F222 HydrophobicContact CB-CE2 3.67Å; R205-F222 HydrophobicContact CB-CZ 4.44Å; R205-F222 HydrophobicContact CG-CE2 4.48Å
206	I	93.8	Very high	89.2	Confident	16 Å²	16	36.8 Å²	36.8	8%	0.082	20%	0.198	C	C	.	.	S	Bend	trans	-131	159.4	170.4	77.2	177.6	0	0	0	109.4	W200 N204 V208 N218 L219 F222 L237	W200-I206 HydrophobicContact CH2-CB 4.28Å; W200-I206 HydrophobicContact CH2-CD1 4.12Å; W200-I206 HydrophobicContact CH2-CG1 3.71Å; W200-I206 HydrophobicContact CH2-CG2 3.99Å; W200-I206 HydrophobicContact CZ3-CD1 4.47Å; W200-I206 HydrophobicContact CZ3-CG1 3.82Å; N204-I206 VanDerWaalsContact C-N 3.26Å; N204-I206 WeakPolarHBondContact CB-O 3.37Å; N204-I206 PolarHBondContact O-N 3.15Å; I206-V208 HydrophobicContact CD1-CG2 4.41Å; I206-V208 HydrophobicContact CG1-CG2 3.92Å; I206-V208 PolarHBondContact O-N 3.09Å; I206-N218 HydrophobicContact CB-CB 4.21Å; I206-N218 HydrophobicContact CD1-CB 4.33Å; I206-L219 HydrophobicContact CD1-CB 3.95Å; I206-L219 HydrophobicContact CD1-CD1 4.39Å; I206-F222 HydrophobicContact CG2-CB 3.5Å; I206-F222 VanDerWaalsContact CG2-CB 3.5Å; I206-F222 HydrophobicContact CG2-CD2 3.89Å; I206-F222 HydrophobicContact CG2-CG 3.8Å; I206-L237 HydrophobicContact CD1-CD2 3.65Å; I206-L237 HydrophobicContact CG1-CD2 4.44Å
207	D	93	Very high	89.1	Confident	109 Å²	109	40.3 Å²	40.3	58%	0.583	22%	0.215	S	C	*	.			trans	-76.9	111	169.2	-177.1	30.5	0	0	0	110.1	T209 N218	D207-T209 WeakPolarHBondContact OD2-CG2 3.49Å; D207-N218 PolarHBondContact O-ND2 2.86Å
208	V	92.6	Very high	89.1	Confident	21 Å²	21	42 Å²	42	13%	0.127	22%	0.224	C	C	.	.			trans	-94.9	109	177.8	-177.7	0	0	0	0	108.4	E156 I206 T215 L237	E156-V208 HydrophobicContact CG-CG2 4.22Å; E156-V208 WeakPolarHBondContact OE1-CB 3.37Å; E156-V208 VanDerWaalsContact OE1-CG1 3.3Å; E156-V208 WeakPolarHBondContact OE1-CG1 3.11Å; I206-V208 HydrophobicContact CD1-CG2 4.41Å; I206-V208 HydrophobicContact CG1-CG2 3.92Å; I206-V208 PolarHBondContact O-N 3.09Å; V208-T215 HydrophobicContact CB-CG2 4.48Å; V208-T215 HydrophobicContact CG1-CG2 4.03Å; V208-L237 HydrophobicContact CG2-CD2 4.05Å
209	T	89.1	Confident	89.1	Confident	36 Å²	36	41.8 Å²	41.8	22%	0.221	22%	0.223	C	C	.	.			trans	-103.8	172.8	-175.2	74.8	0	0	0	0	111	D207 D211 T215 R265	D207-T209 WeakPolarHBondContact OD2-CG2 3.49Å; T209-D211 PolarHBondContact O-N 3.2Å; T209-D211 PolarHBondContact OG1-N 2.9Å; T209-D211 PolarHBondContact OG1-O 2.84Å; T209-T215 PolarHBondContact N-OG1 3.15Å; T209-T215 PolarHBondContact O-OG1 2.82Å; T209-T215 PolarHBondContact OG1-OG1 2.93Å; T209-R265 PolarHBondContact O-NH1 3.34Å; T209-R265 PolarHBondContact O-NH2 3.42Å
210	S	83.3	Confident	88.8	Confident	79 Å²	79	42.2 Å²	42.2	55%	0.552	23%	0.226	S	C	*	.	S	Bend	trans	-70.5	-20.1	169.5	58.5	0	0	0	0	112.9
211	D	81.5	Confident	88.5	Confident	69 Å²	69	47.7 Å²	47.7	37%	0.369	25%	0.25	S	C	.	.			trans	-85.4	118.7	174.8	178	47.8	0	0	0	110.6	T209 V213 S214 T215	T209-D211 PolarHBondContact O-N 3.2Å; T209-D211 PolarHBondContact OG1-N 2.9Å; T209-D211 PolarHBondContact OG1-O 2.84Å; D211-V213 VanDerWaalsContact C-N 3.29Å; D211-V213 PolarHBondContact O-N 2.74Å; D211-S214 WeakPolarHBondContact OD2-CB 3.29Å; D211-S214 PolarHBondContact OD2-N 2.72Å; D211-S214 PolarHBondContact OD2-OG 3.02Å; D211-T215 WeakPolarHBondContact O-CB 3.23Å; D211-T215 PolarHBondContact O-N 3.34Å; D211-T215 PolarHBondContact O-OG1 2.9Å
212	D	83.6	Confident	88.4	Confident	3 Å²	3	47 Å²	47	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-35.7	-178.8	-78.9	-1.6	0	0	0	112.4	H118 L216 Q247 A249 L263 R265	H118-D212 HydrophobicContact CB-CB 4.27Å; H118-D212 IonicContact CD2-OD2 2.65Å; H118-D212 PolarHBondContact CD2-OD2 3.31Å; H118-D212 IonicContact CG-OD2 3.22Å; D212-L216 WeakPolarHBondContact O-CB 3.39Å; D212-L216 WeakPolarHBondContact O-CG 3.35Å; D212-L216 PolarHBondContact O-N 2.8Å; D212-Q247 PolarHBondContact OD2-OE1 3.41Å; D212-A249 HydrophobicContact CB-CB 3.81Å; D212-L263 HydrophobicContact CB-CD2 4.14Å; D212-R265 IonicContact OD1-CZ 3.04Å; D212-R265 IonicContact OD1-NE 2.8Å; D212-R265 PolarHBondContact OD1-NE 2.97Å; D212-R265 IonicContact OD1-NH2 3.96Å; D212-R265 PolarHBondContact OD1-NH2 2.77Å
213	V	80.8	Confident	88.4	Confident	41 Å²	41	43.5 Å²	43.5	25%	0.248	23%	0.228	C	C	.	.	H	α-helix	trans	-69.7	-48.9	-178.8	-176.8	0	0	0	0	110.1	V120 D211 T215 L216 E217	V120-V213 HydrophobicContact CG2-CG1 4.35Å; V120-V213 HydrophobicContact CG2-CG2 4.27Å; D211-V213 VanDerWaalsContact C-N 3.29Å; D211-V213 PolarHBondContact O-N 2.74Å; V213-T215 VanDerWaalsContact C-N 3.3Å; V213-T215 PolarHBondContact O-N 3.21Å; V213-L216 WeakPolarHBondContact O-CB 3.48Å; V213-L216 PolarHBondContact O-N 3.46Å; V213-L216 VanDerWaalsContact O-N 3.17Å; V213-E217 WeakPolarHBondContact O-CG 3.39Å; V213-E217 PolarHBondContact O-N 3.18Å
214	S	85	Confident	88	Confident	46 Å²	46	44.6 Å²	44.6	32%	0.322	23%	0.234	S	C	.	.	H	α-helix	trans	-58	-43	175.7	-61.8	0	0	0	0	111.9	D211 E217 N218	D211-S214 WeakPolarHBondContact OD2-CB 3.29Å; D211-S214 PolarHBondContact OD2-N 2.72Å; D211-S214 PolarHBondContact OD2-OG 3.02Å; S214-E217 PolarHBondContact O-N 3.23Å; S214-N218 PolarHBondContact O-N 2.65Å; S214-N218 PolarHBondContact O-ND2 3.2Å
215	T	88.8	Confident	87.3	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-42.5	176.5	-55.7	0	0	0	0	111.8	V208 T209 D211 V213 N218 L219 L237 L263	V208-T215 HydrophobicContact CB-CG2 4.48Å; V208-T215 HydrophobicContact CG1-CG2 4.03Å; T209-T215 PolarHBondContact N-OG1 3.15Å; T209-T215 PolarHBondContact O-OG1 2.82Å; T209-T215 PolarHBondContact OG1-OG1 2.93Å; D211-T215 WeakPolarHBondContact O-CB 3.23Å; D211-T215 PolarHBondContact O-N 3.34Å; D211-T215 PolarHBondContact O-OG1 2.9Å; V213-T215 VanDerWaalsContact C-N 3.3Å; V213-T215 PolarHBondContact O-N 3.21Å; T215-N218 PolarHBondContact O-N 3.49Å; T215-L219 PolarHBondContact O-N 3.18Å; T215-L237 HydrophobicContact CG2-CD2 4.19Å; T215-L263 HydrophobicContact CG2-CD1 3.88Å; T215-L263 HydrophobicContact CG2-CD2 3.88Å
216	L	86	Confident	86.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-40.9	174.7	-83.2	177.7	0	0	0	112.8	V120 D212 V213 N218 L219 V220 A249 Y251 L263	V120-L216 HydrophobicContact CG2-CD1 3.99Å; D212-L216 WeakPolarHBondContact O-CB 3.39Å; D212-L216 WeakPolarHBondContact O-CG 3.35Å; D212-L216 PolarHBondContact O-N 2.8Å; V213-L216 WeakPolarHBondContact O-CB 3.48Å; V213-L216 PolarHBondContact O-N 3.46Å; V213-L216 VanDerWaalsContact O-N 3.17Å; L216-N218 VanDerWaalsContact C-N 3.32Å; L216-N218 PolarHBondContact O-N 3.32Å; L216-L219 HydrophobicContact CD2-CD2 4.48Å; L216-L219 WeakPolarHBondContact O-CB 3.44Å; L216-L219 PolarHBondContact O-N 3.12Å; L216-V220 WeakPolarHBondContact O-CG2 3.18Å; L216-V220 PolarHBondContact O-N 3.5Å; L216-A249 HydrophobicContact CD1-CB 3.46Å; L216-A249 VanDerWaalsContact CD1-CB 3.46Å; L216-A249 HydrophobicContact CG-CB 4.06Å; L216-Y251 HydrophobicContact CB-CE2 3.95Å; L216-Y251 HydrophobicContact CD1-CE2 4.42Å; L216-L263 HydrophobicContact CD2-CB 3.87Å; L216-L263 HydrophobicContact CG-CB 4.19Å
217	E	88.6	Confident	84.9	Confident	90 Å²	90	48 Å²	48	42%	0.421	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-42.1	175.2	-73.4	-179.3	180	0	0	111.6	V213 S214 L219 V220 K221 Y251	V213-E217 WeakPolarHBondContact O-CG 3.39Å; V213-E217 PolarHBondContact O-N 3.18Å; S214-E217 PolarHBondContact O-N 3.23Å; E217-L219 VanDerWaalsContact C-N 3.33Å; E217-V220 PolarHBondContact O-N 3.04Å; E217-K221 WeakPolarHBondContact O-CG 3.28Å; E217-K221 PolarHBondContact O-N 3.46Å; E217-Y251 WeakPolarHBondContact CG-OH 3.41Å
218	N	91.8	Very high	83.3	Confident	37 Å²	37	50.4 Å²	50.4	20%	0.198	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-39	175	-68.5	-20	0	0	0	111.8	I206 D207 S214 T215 L216 K221 F222	I206-N218 HydrophobicContact CB-CB 4.21Å; I206-N218 HydrophobicContact CD1-CB 4.33Å; D207-N218 PolarHBondContact O-ND2 2.86Å; S214-N218 PolarHBondContact O-N 2.65Å; S214-N218 PolarHBondContact O-ND2 3.2Å; T215-N218 PolarHBondContact O-N 3.49Å; L216-N218 VanDerWaalsContact C-N 3.32Å; L216-N218 PolarHBondContact O-N 3.32Å; N218-K221 PolarHBondContact O-N 3.29Å; N218-F222 PolarHBondContact O-N 3.31Å
219	L	92	Very high	81.6	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-39.9	175.6	-179.6	59.8	0	0	0	112.5	L154 I206 T215 L216 E217 F222 S223 T235 L237 T261	L154-L219 HydrophobicContact CD1-CD1 3.64Å; I206-L219 HydrophobicContact CD1-CB 3.95Å; I206-L219 HydrophobicContact CD1-CD1 4.39Å; T215-L219 PolarHBondContact O-N 3.18Å; L216-L219 HydrophobicContact CD2-CD2 4.48Å; L216-L219 WeakPolarHBondContact O-CB 3.44Å; L216-L219 PolarHBondContact O-N 3.12Å; E217-L219 VanDerWaalsContact C-N 3.33Å; L219-F222 PolarHBondContact O-N 3.37Å; L219-S223 WeakPolarHBondContact O-CB 3.25Å; L219-S223 PolarHBondContact O-N 3.35Å; L219-T235 HydrophobicContact CD1-CG2 4.27Å; L219-L237 HydrophobicContact CD1-CB 4.34Å; L219-L237 HydrophobicContact CD2-CB 3.81Å; L219-T261 HydrophobicContact CD2-CG2 4.42Å; L219-T261 HydrophobicContact CG-CG2 4.12Å
220	V	88.4	Confident	80.2	Confident	10 Å²	10	53.8 Å²	53.8	6%	0.061	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-46.3	174.7	170.3	0	0	0	0	110.7	L216 E217 F222 S223 M224 Y251 N259 T261	L216-V220 WeakPolarHBondContact O-CG2 3.18Å; L216-V220 PolarHBondContact O-N 3.5Å; E217-V220 PolarHBondContact O-N 3.04Å; V220-F222 VanDerWaalsContact C-N 3.28Å; V220-F222 PolarHBondContact O-N 2.59Å; V220-S223 PolarHBondContact O-N 2.99Å; V220-S223 VanDerWaalsContact O-N 3.14Å; V220-M224 HydrophobicContact CG1-CE 3.59Å; V220-M224 HydrophobicContact CG1-CG 4.44Å; V220-M224 HydrophobicContact CG1-SD 4.14Å; V220-M224 WeakPolarHBondContact O-CG 3.37Å; V220-M224 PolarHBondContact O-N 2.91Å; V220-Y251 HydrophobicContact CG2-CD2 4.07Å; V220-Y251 HydrophobicContact CG2-CE2 3.65Å; V220-N259 WeakPolarHBondContact CG1-OD1 3.47Å; V220-T261 HydrophobicContact CG2-CG2 3.94Å; V220-T261 VanDerWaalsContact CG2-OG1 3.27Å; V220-T261 WeakPolarHBondContact CG2-OG1 3.18Å
221	K	87.8	Confident	79.6	Confident	115 Å²	115	53.6 Å²	53.6	50%	0.5	30%	0.297	S	S	.	.	H	α-helix	trans	-58.5	-41.7	176.1	-68.6	168.3	-169.7	163.8	0	111.6	E217 N218 M224 N225	E217-K221 WeakPolarHBondContact O-CG 3.28Å; E217-K221 PolarHBondContact O-N 3.46Å; N218-K221 PolarHBondContact O-N 3.29Å; K221-M224 PolarHBondContact O-N 2.99Å; K221-N225 PolarHBondContact O-N 3.46Å; K221-N225 VanDerWaalsContact O-N 3.12Å
222	F	88.7	Confident	79.7	Confident	25 Å²	25	52.2 Å²	52.2	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-45.3	174.7	177.7	-91.7	0	0	0	112.1	L154 W200 R205 I206 N218 L219 V220 M224 N225 N226	L154-F222 HydrophobicContact CD1-CD1 3.9Å; L154-F222 HydrophobicContact CD1-CE1 3.66Å; L154-F222 HydrophobicContact CD2-CE1 4.43Å; W200-F222 HydrophobicContact CZ2-CZ 4.4Å; R205-F222 HydrophobicContact CB-CD2 4.17Å; R205-F222 HydrophobicContact CB-CE2 3.67Å; R205-F222 HydrophobicContact CB-CZ 4.44Å; R205-F222 HydrophobicContact CG-CE2 4.48Å; I206-F222 HydrophobicContact CG2-CB 3.5Å; I206-F222 VanDerWaalsContact CG2-CB 3.5Å; I206-F222 HydrophobicContact CG2-CD2 3.89Å; I206-F222 HydrophobicContact CG2-CG 3.8Å; N218-F222 PolarHBondContact O-N 3.31Å; L219-F222 PolarHBondContact O-N 3.37Å; V220-F222 VanDerWaalsContact C-N 3.28Å; V220-F222 PolarHBondContact O-N 2.59Å; F222-M224 VanDerWaalsContact C-N 3.3Å; F222-M224 PolarHBondContact O-N 2.77Å; F222-N225 PolarHBondContact O-N 2.9Å; F222-N226 VanDerWaalsContact CD2-ND2 3.34Å; F222-N226 WeakPolarHBondContact CD2-ND2 3.24Å; F222-N226 WeakPolarHBondContact CE2-ND2 3.41Å; F222-N226 WeakPolarHBondContact CZ-ND2 3.08Å; F222-N226 PolarHBondContact O-N 3.47Å; F222-N226 VanDerWaalsContact O-N 3.13Å; F222-N226 PolarHBondContact O-ND2 3.4Å
223	S	85.4	Confident	79.9	Confident	11 Å²	11	52.6 Å²	52.6	8%	0.077	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-33.7	178.7	-168.4	0	0	0	0	112.7	L219 V220 S227	L219-S223 WeakPolarHBondContact O-CB 3.25Å; L219-S223 PolarHBondContact O-N 3.35Å; V220-S223 PolarHBondContact O-N 2.99Å; V220-S223 VanDerWaalsContact O-N 3.14Å; S223-S227 WeakPolarHBondContact O-CB 3.25Å; S223-S227 PolarHBondContact O-N 3.4Å
224	M	82.2	Confident	80.6	Confident	87 Å²	87	50.7 Å²	50.7	43%	0.429	28%	0.278	S	S	.	.	H	α-helix	trans	-67.3	-41.4	173.9	-72.4	172.3	174.4	0	0	111.8	V220 K221 F222 N226 S227 V258	V220-M224 HydrophobicContact CG1-CE 3.59Å; V220-M224 HydrophobicContact CG1-CG 4.44Å; V220-M224 HydrophobicContact CG1-SD 4.14Å; V220-M224 WeakPolarHBondContact O-CG 3.37Å; V220-M224 PolarHBondContact O-N 2.91Å; K221-M224 PolarHBondContact O-N 2.99Å; F222-M224 VanDerWaalsContact C-N 3.3Å; F222-M224 PolarHBondContact O-N 2.77Å; M224-N226 VanDerWaalsContact C-N 3.35Å; M224-S227 PolarHBondContact O-OG 3.16Å; M224-V258 HydrophobicContact CE-CB 4.11Å; M224-V258 HydrophobicContact CE-CG2 3.35Å; M224-V258 HydrophobicContact CG-CB 3.78Å; M224-V258 HydrophobicContact CG-CG1 4.02Å; M224-V258 HydrophobicContact CG-CG2 4.04Å
225	N	79.7	Confident	81	Confident	136 Å²	136	48.7 Å²	48.7	73%	0.727	27%	0.265	S	S	*	.	H	α-helix	trans	-76.8	-20.3	-176.6	-71.8	-7.7	0	0	0	113.9	K221 F222	K221-N225 PolarHBondContact O-N 3.46Å; K221-N225 VanDerWaalsContact O-N 3.12Å; F222-N225 PolarHBondContact O-N 2.9Å
226	N	74.3	Confident	81.4	Confident	42 Å²	42	48.7 Å²	48.7	23%	0.225	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	16.4	-178.5	-57.5	-84.3	0	0	0	112.5	F222 M224 D228 D229	F222-N226 VanDerWaalsContact CD2-ND2 3.34Å; F222-N226 WeakPolarHBondContact CD2-ND2 3.24Å; F222-N226 WeakPolarHBondContact CE2-ND2 3.41Å; F222-N226 WeakPolarHBondContact CZ-ND2 3.08Å; F222-N226 PolarHBondContact O-N 3.47Å; F222-N226 VanDerWaalsContact O-N 3.13Å; F222-N226 PolarHBondContact O-ND2 3.4Å; M224-N226 VanDerWaalsContact C-N 3.35Å; N226-D228 PolarHBondContact O-N 2.88Å; N226-D229 PolarHBondContact O-N 3.37Å
227	S	59.9	Low	81.9	Confident	51 Å²	51	48.7 Å²	48.7	36%	0.357	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-65.7	-27.4	-177.7	55.5	0	0	0	0	113.4	S223 M224 D229	S223-S227 WeakPolarHBondContact O-CB 3.25Å; S223-S227 PolarHBondContact O-N 3.4Å; M224-S227 PolarHBondContact O-OG 3.16Å; S227-D229 PolarHBondContact O-N 2.92Å
228	D	59.2	Low	82.2	Confident	158 Å²	158	44.5 Å²	44.5	85%	0.845	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-70.2	-19.3	-176.4	-65.7	-12.5	0	0	0	112.5	N226	N226-D228 PolarHBondContact O-N 2.88Å
229	D	58.7	Low	82.3	Confident	105 Å²	105	42.7 Å²	42.7	56%	0.561	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-83.7	-26	-175.6	-80.2	-31.5	0	0	0	114.1	K14 N226 S227	K14-D229 PolarHBondContact NZ-O 3.41Å; N226-D229 PolarHBondContact O-N 3.37Å; S227-D229 PolarHBondContact O-N 2.92Å
230	T	59.5	Low	82.1	Confident	23 Å²	23	43.9 Å²	43.9	14%	0.141	24%	0.243	C	C	.	.			trans	-156.8	123.2	-177.3	47.4	0	0	0	0	112.4	K14 H196 Q232	K14-T230 HydrophobicContact CD-CG2 3.76Å; H196-T230 HydrophobicContact CB-CG2 4.31Å; T230-Q232 PolarHBondContact O-N 3.4Å; T230-Q232 VanDerWaalsContact O-N 3.15Å; T230-Q232 PolarHBondContact OG1-OE1 3.38Å
231	A	70	Confident	82	Confident	75 Å²	75	44.7 Å²	44.7	62%	0.62	25%	0.248	S	C	*	.			trans	-65.8	111.7	167.8	0	0	0	0	0	109.5
232	Q	82.5	Confident	81.1	Confident	41 Å²	41	41.1 Å²	41.1	19%	0.192	24%	0.244	C	C	.	.			trans	-137.4	135.6	-179	63.1	-140.7	-12.4	0	0	109.8	S152 V195 T230	S152-Q232 VanDerWaalsContact CB-OE1 3.29Å; V195-Q232 HydrophobicContact CG2-CB 4.15Å; T230-Q232 PolarHBondContact O-N 3.4Å; T230-Q232 VanDerWaalsContact O-N 3.15Å; T230-Q232 PolarHBondContact OG1-OE1 3.38Å
233	D	89.3	Confident	79.9	Confident	10 Å²	10	44.1 Å²	44.1	5%	0.053	26%	0.259	C	S	.	.	S	Bend	trans	-86.8	-30.6	179.6	-65.7	-40.8	0	0	0	112.2	L149 E150 A260 C346	L149-D233 WeakPolarHBondContact CA-OD2 3.49Å; L149-D233 HydrophobicContact CG-CB 4.34Å; E150-D233 HydrophobicContact CB-CB 4.39Å; E150-D233 PolarHBondContact N-OD2 3.2Å; E150-D233 WeakPolarHBondContact O-CA 3.45Å; E150-D233 WeakPolarHBondContact O-CB 3.34Å; E150-D233 PolarHBondContact O-N 2.8Å; D233-A260 WeakPolarHBondContact O-CB 3.35Å; D233-C346 WeakPolarHBondContact OD1-CB 3.38Å; D233-C346 PolarHBondContact OD1-SG 3.33Å
234	V	94.3	Very high	79	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	135.4	-177.2	-179.7	0	0	0	0	110.9	L149 E150 L151 S152 F236 A260 I283 I286	L149-V234 HydrophobicContact CD1-CG2 3.96Å; L149-V234 HydrophobicContact CD2-CB 4.07Å; L149-V234 HydrophobicContact CD2-CG2 3.95Å; L149-V234 HydrophobicContact CG-CG2 4.07Å; E150-V234 PolarHBondContact O-N 3.14Å; E150-V234 VanDerWaalsContact O-N 3.09Å; L151-V234 WeakPolarHBondContact CA-O 3.02Å; L151-V234 HydrophobicContact CD1-CG1 4.44Å; S152-V234 PolarHBondContact N-O 2.92Å; V234-F236 HydrophobicContact CG1-CD2 3.87Å; V234-F236 HydrophobicContact CG1-CE2 3.63Å; V234-A260 VanDerWaalsContact CA-O 3.27Å; V234-A260 WeakPolarHBondContact CA-O 3Å; V234-A260 HydrophobicContact CG2-CB 4.45Å; V234-I283 HydrophobicContact CG1-CG1 4.44Å; V234-I286 HydrophobicContact CG1-CD1 3.69Å; V234-I286 HydrophobicContact CG2-CG2 4.01Å
235	T	94.8	Very high	78.2	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.8	175.5	-57.1	0	0	0	0	110.9	S152 L154 L219 A260 T261 G262	S152-T235 CarbonylContact O-C 3.58Å; S152-T235 WeakPolarHBondContact O-CA 3.2Å; L154-T235 HydrophobicContact CD1-CG2 3.84Å; L154-T235 HydrophobicContact CG-CG2 4Å; L219-T235 HydrophobicContact CD1-CG2 4.27Å; T235-A260 PolarHBondContact N-O 2.93Å; T235-T261 CarbonylContact O-C 3.6Å; T235-T261 VanDerWaalsContact O-CA 3.23Å; T235-T261 WeakPolarHBondContact O-CA 3.07Å; T235-G262 PolarHBondContact O-N 2.84Å
236	F	96.7	Very high	77.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.7	171.7	-85.5	-82.5	0	0	0	112	L151 S152 V153 L154 V234 V250 G262 I264 M279 I283 I286	L151-F236 HydrophobicContact CD1-CD2 3.83Å; S152-F236 PolarHBondContact O-N 3.41Å; V153-F236 CarbonylContact C-O 3.51Å; V153-F236 WeakPolarHBondContact CA-O 2.89Å; L154-F236 PolarHBondContact N-O 2.92Å; V234-F236 HydrophobicContact CG1-CD2 3.87Å; V234-F236 HydrophobicContact CG1-CE2 3.63Å; F236-V250 HydrophobicContact CE1-CG1 4.46Å; F236-G262 CarbonylContact C-O 3.49Å; F236-G262 VanDerWaalsContact CA-O 3.26Å; F236-G262 WeakPolarHBondContact CA-O 3.4Å; F236-I264 HydrophobicContact CD1-CD1 3.59Å; F236-I264 HydrophobicContact CD1-CG1 3.85Å; F236-I264 HydrophobicContact CE1-CD1 3.72Å; F236-I264 HydrophobicContact CE1-CG1 3.98Å; F236-I264 HydrophobicContact CG-CD1 4.41Å; F236-M279 HydrophobicContact CB-CE 4.39Å; F236-M279 HydrophobicContact CD2-CE 3.97Å; F236-M279 HydrophobicContact CE2-CB 4.47Å; F236-M279 HydrophobicContact CG-CE 4.29Å; F236-I283 HydrophobicContact CE2-CD1 4.05Å; F236-I283 HydrophobicContact CE2-CG1 3.64Å; F236-I283 HydrophobicContact CZ-CG1 4.06Å; F236-I286 HydrophobicContact CZ-CD1 4.38Å
237	L	96.5	Very high	77.9	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.7	163.1	175.9	64.2	0	0	0	109.8	L154 E156 W200 I206 V208 T215 L219 G262 L263 I264	L154-L237 HydrophobicContact CB-CD1 4Å; L154-L237 WeakPolarHBondContact O-CA 3.31Å; E156-L237 HydrophobicContact CB-CD1 4.38Å; W200-L237 HydrophobicContact CE3-CD1 4.47Å; W200-L237 HydrophobicContact CH2-CD1 4.03Å; W200-L237 HydrophobicContact CZ3-CD1 3.84Å; I206-L237 HydrophobicContact CD1-CD2 3.65Å; I206-L237 HydrophobicContact CG1-CD2 4.44Å; V208-L237 HydrophobicContact CG2-CD2 4.05Å; T215-L237 HydrophobicContact CG2-CD2 4.19Å; L219-L237 HydrophobicContact CD1-CB 4.34Å; L219-L237 HydrophobicContact CD2-CB 3.81Å; L237-G262 PolarHBondContact N-O 3.02Å; L237-L263 HydrophobicContact CB-CD1 4.16Å; L237-L263 HydrophobicContact CD2-CD1 3.86Å; L237-L263 HydrophobicContact CG-CD1 4.05Å; L237-I264 PolarHBondContact O-N 3.08Å
238	L	95.3	Very high	79.1	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.7	172.3	-54.4	-173.9	0	0	0	110.2	V153 L154 V155 E156 L174 I264 I275	V153-L238 HydrophobicContact CG1-CD1 3.9Å; V153-L238 HydrophobicContact CG1-CG 4.04Å; L154-L238 PolarHBondContact O-N 3.02Å; V155-L238 HydrophobicContact CG2-CD1 4.48Å; E156-L238 WeakPolarHBondContact CB-O 3.07Å; E156-L238 PolarHBondContact N-O 2.87Å; L174-L238 HydrophobicContact CD2-CD1 3.57Å; L238-I264 HydrophobicContact CD2-CB 3.76Å; L238-I264 HydrophobicContact CD2-CD1 4.05Å; L238-I264 HydrophobicContact CD2-CG1 4.39Å; L238-I264 HydrophobicContact CD2-CG2 4.17Å; L238-I275 HydrophobicContact CD1-CG2 4.3Å; L238-I275 HydrophobicContact CD2-CG2 4.26Å
239	T	93.4	Very high	80.4	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.5	-175.2	169.2	0	0	0	0	111	E156 S241 L263 I264 R265 A266	E156-T239 PolarHBondContact OE1-OG1 2.99Å; E156-T239 VanDerWaalsContact OE2-CA 3.27Å; E156-T239 WeakPolarHBondContact OE2-CA 3.21Å; E156-T239 WeakPolarHBondContact OE2-CB 3.47Å; E156-T239 PolarHBondContact OE2-OG1 2.86Å; T239-S241 WeakPolarHBondContact OG1-CB 3.44Å; T239-S241 PolarHBondContact OG1-N 2.76Å; T239-L263 HydrophobicContact CG2-CD1 3.52Å; T239-L263 HydrophobicContact CG2-CG 4.35Å; T239-I264 WeakPolarHBondContact CG2-O 2.79Å; T239-I264 PolarHBondContact N-O 3.32Å; T239-R265 HydrophobicContact CG2-CB 4.47Å; T239-R265 HydrophobicContact CG2-CG 3.83Å; T239-R265 CarbonylContact O-C 3.6Å; T239-R265 WeakPolarHBondContact O-CA 3.37Å; T239-A266 PolarHBondContact O-N 2.8Å
240	V	88.7	Confident	81.7	Confident	26 Å²	26	24.3 Å²	24.3	16%	0.158	15%	0.151	C	C	.	.			trans	-119.8	0.8	167.6	-66.9	0	0	0	0	112.9	E156 E158 M159 W162 I267	E156-V240 PolarHBondContact OE2-N 2.86Å; E158-V240 HydrophobicContact CB-CG2 4Å; M159-V240 HydrophobicContact CB-CG1 4.33Å; M159-V240 HydrophobicContact CB-CG2 4.34Å; M159-V240 HydrophobicContact CG-CG1 4.45Å; M159-V240 HydrophobicContact SD-CG1 3.36Å; M159-V240 WeakPolarHBondContact SD-CG1 3.19Å; W162-V240 HydrophobicContact CB-CG2 4.14Å; W162-V240 HydrophobicContact CD2-CG1 4.21Å; W162-V240 HydrophobicContact CE3-CG1 4.04Å; W162-V240 HydrophobicContact CG-CG2 4.49Å; W162-V240 HydrophobicContact CZ3-CG1 4.41Å; V240-I267 HydrophobicContact CB-CG1 4.24Å; V240-I267 VanDerWaalsContact O-CD1 3.27Å; V240-I267 WeakPolarHBondContact O-CD1 3.46Å
241	S	85	Confident	82.8	Confident	26 Å²	26	24.7 Å²	24.7	18%	0.182	15%	0.15	C	C	.	.			trans	-73.7	163.5	-176.7	-63.4	0	0	0	0	112.4	E156 T239 E243 R265	E156-S241 VanDerWaalsContact CD-OG 3.23Å; E156-S241 WeakPolarHBondContact OE1-CB 3.13Å; E156-S241 PolarHBondContact OE1-OG 2.65Å; E156-S241 PolarHBondContact OE2-OG 2.81Å; E156-S241 VanDerWaalsContact OE2-OG 3.13Å; T239-S241 WeakPolarHBondContact OG1-CB 3.44Å; T239-S241 PolarHBondContact OG1-N 2.76Å; S241-E243 PolarHBondContact O-N 2.93Å; S241-R265 WeakPolarHBondContact O-CD 3.47Å; S241-R265 PolarHBondContact O-NH1 3.45Å
242	G	69.4	Low	83.3	Confident	40 Å²	40	22.5 Å²	22.5	41%	0.412	13%	0.129	S	C	.	.	S	Bend	trans	89.3	-28.5	156.4	0	0	0	0	0	118.5
243	E	64.1	Low	83.3	Confident	88 Å²	88	25.1 Å²	25.1	41%	0.411	14%	0.14	S	C	.	.			trans	-149.8	165.8	-172.6	-84.5	-66.3	159	0	0	112.5	S241 T245 I267	S241-E243 PolarHBondContact O-N 2.93Å; E243-T245 VanDerWaalsContact C-N 3.33Å; E243-I267 WeakPolarHBondContact O-CD1 3.46Å
244	N	65.5	Low	83.1	Confident	142 Å²	142	24.9 Å²	24.9	76%	0.759	14%	0.139	S	C	*	.	S	Bend	trans	-93.2	10.1	177.4	-82.5	-14.8	0	0	0	113.6
245	T	65.8	Low	82.7	Confident	21 Å²	21	25.1 Å²	25.1	13%	0.129	14%	0.141	C	C	.	.	S	Bend	trans	-139.2	153.4	-166.3	61.6	0	0	0	0	111	V100 E243 Q247	V100-T245 HydrophobicContact CB-CG2 4.2Å; V100-T245 HydrophobicContact CG1-CG2 3.83Å; V100-T245 HydrophobicContact CG2-CG2 3.35Å; E243-T245 VanDerWaalsContact C-N 3.33Å; T245-Q247 WeakPolarHBondContact O-CG 3.34Å; T245-Q247 PolarHBondContact OG1-NE2 3.02Å
246	S	71	Confident	82.1	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.014	16%	0.155	C	C	.	.			trans	-79.6	131.4	175.3	-74.9	0	0	0	0	111	R265 I267	S246-R265 WeakPolarHBondContact CA-O 3.14Å; S246-R265 WeakPolarHBondContact CB-O 3.46Å; S246-R265 PolarHBondContact OG-O 3.22Å; S246-I267 PolarHBondContact OG-N 2.8Å
247	Q	76.8	Confident	81.5	Confident	3 Å²	3	30.7 Å²	30.7	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.8	-169	-49.9	-175.9	-11.3	0	0	111.1	L116 D212 T245 R265	L116-Q247 HydrophobicContact CB-CB 4.44Å; L116-Q247 HydrophobicContact CB-CG 3.9Å; L116-Q247 HydrophobicContact CD2-CG 4.27Å; L116-Q247 WeakPolarHBondContact O-CA 2.98Å; D212-Q247 PolarHBondContact OD2-OE1 3.41Å; T245-Q247 WeakPolarHBondContact O-CG 3.34Å; T245-Q247 PolarHBondContact OG1-NE2 3.02Å; Q247-R265 HydrophobicContact CB-CB 4.26Å; Q247-R265 HydrophobicContact CB-CG 4.35Å; Q247-R265 PolarHBondContact N-O 3.46Å; Q247-R265 PolarHBondContact O-N 3.04Å
248	I	85	Confident	80.8	Confident	5 Å²	5	33.7 Å²	33.7	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.6	171.8	-173.5	167.2	0	0	0	110.6	L116 E117 H118 V250 L263 I264 L278	L116-I248 PolarHBondContact O-N 3.15Å; E117-I248 VanDerWaalsContact CA-O 3.32Å; E117-I248 WeakPolarHBondContact CA-O 3.33Å; E117-I248 HydrophobicContact CB-CG2 4.36Å; E117-I248 HydrophobicContact CG-CG2 3.77Å; H118-I248 PolarHBondContact N-O 3.31Å; I248-V250 HydrophobicContact CG1-CG1 4.33Å; I248-L263 WeakPolarHBondContact CA-O 3.24Å; I248-I264 HydrophobicContact CD1-CG1 4.32Å; I248-I264 HydrophobicContact CG1-CG1 4.29Å; I248-L278 WeakPolarHBondContact CD1-O 3.41Å
249	A	85.7	Confident	80.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.3	173.9	0	0	0	0	0	109.5	H118 D212 L216 G262 L263	H118-A249 HydrophobicContact CB-CB 3.78Å; H118-A249 VanDerWaalsContact O-CA 3.3Å; H118-A249 WeakPolarHBondContact O-CA 3.46Å; D212-A249 HydrophobicContact CB-CB 3.81Å; L216-A249 HydrophobicContact CD1-CB 3.46Å; L216-A249 VanDerWaalsContact CD1-CB 3.46Å; L216-A249 HydrophobicContact CG-CB 4.06Å; A249-G262 CarbonylContact O-C 3.55Å; A249-G262 WeakPolarHBondContact O-CA 3.24Å; A249-L263 HydrophobicContact CB-CB 4.19Å; A249-L263 PolarHBondContact N-O 2.95Å; A249-L263 PolarHBondContact O-N 3.38Å
250	V	87.8	Confident	80.1	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	153	179.7	-67.6	0	0	0	0	110.6	H118 L119 V120 F236 I248 P252 H285 I286	H118-V250 PolarHBondContact O-N 3.03Å; L119-V250 HydrophobicContact CD2-CG2 3.48Å; L119-V250 VanDerWaalsContact CD2-CG2 3.48Å; V120-V250 PolarHBondContact N-O 2.83Å; F236-V250 HydrophobicContact CE1-CG1 4.46Å; I248-V250 HydrophobicContact CG1-CG1 4.33Å; V250-P252 WeakPolarHBondContact O-CD 3.41Å; V250-H285 HydrophobicContact CG2-CB 3.62Å; V250-I286 HydrophobicContact CB-CD1 4.45Å; V250-I286 HydrophobicContact CB-CG1 4.11Å; V250-I286 HydrophobicContact CG1-CD1 4.06Å; V250-I286 HydrophobicContact CG1-CG1 4.19Å
251	Y	80.8	Confident	80.3	Confident	31 Å²	31	35.6 Å²	35.6	12%	0.122	20%	0.204	C	C	.	.			trans	-81.2	116.3	160.5	-69.8	-82.8	0	0	0	108.9	V120 L216 E217 V220 S254 N259	V120-Y251 HydrophobicContact CB-CD1 3.73Å; V120-Y251 HydrophobicContact CB-CE1 3.66Å; V120-Y251 HydrophobicContact CG1-CD1 3.92Å; V120-Y251 HydrophobicContact CG1-CE1 3.44Å; V120-Y251 VanDerWaalsContact CG1-CE1 3.44Å; V120-Y251 HydrophobicContact CG2-CD1 4.32Å; V120-Y251 HydrophobicContact CG2-CE1 4.04Å; L216-Y251 HydrophobicContact CB-CE2 3.95Å; L216-Y251 HydrophobicContact CD1-CE2 4.42Å; E217-Y251 WeakPolarHBondContact CG-OH 3.41Å; V220-Y251 HydrophobicContact CG2-CD2 4.07Å; V220-Y251 HydrophobicContact CG2-CE2 3.65Å; Y251-S254 WeakPolarHBondContact O-CB 3.39Å; Y251-S254 PolarHBondContact O-OG 3.3Å; Y251-N259 WeakPolarHBondContact CB-O 3.35Å; Y251-N259 HydrophobicContact CG-CB 4.37Å
252	P	81.6	Confident	80.6	Confident	29 Å²	29	34.3 Å²	34.3	19%	0.188	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	155.8	179	31.3	-35	0	0	0	111.6	V120 N122 V250 S254 H285	V120-P252 WeakPolarHBondContact O-CD 3.44Å; N122-P252 HydrophobicContact CB-CG 4.26Å; V250-P252 WeakPolarHBondContact O-CD 3.41Å; P252-S254 PolarHBondContact O-N 3.25Å; P252-H285 CarbonylContact C-O 3.49Å; P252-H285 WeakPolarHBondContact CA-O 3.17Å; P252-H285 HydrophobicContact CB-CB 4.34Å
253	K	81.4	Confident	81.7	Confident	95 Å²	95	32.5 Å²	32.5	41%	0.413	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	34.1	176.9	-56.7	169.3	-178	167.6	0	113.3	E124 H285 I286 G288	E124-K253 IonicContact OE2-NZ 3.02Å; K253-H285 PolarHBondContact N-O 2.67Å; K253-I286 CarbonylContact C-O 3.57Å; K253-I286 VanDerWaalsContact CA-O 3.3Å; K253-I286 WeakPolarHBondContact CA-O 3.22Å; K253-I286 PolarHBondContact N-O 2.79Å; K253-G288 VanDerWaalsContact CG-CA 3.4Å
254	S	85.7	Confident	83	Confident	6 Å²	6	28.3 Å²	28.3	4%	0.042	16%	0.156	C	C	.	.			trans	-109.3	-1.4	-172.4	58.7	0	0	0	0	113.6	Y251 P252 T257 N259 A260 I286	Y251-S254 WeakPolarHBondContact O-CB 3.39Å; Y251-S254 PolarHBondContact O-OG 3.3Å; P252-S254 PolarHBondContact O-N 3.25Å; S254-T257 WeakPolarHBondContact O-CB 3.42Å; S254-T257 PolarHBondContact O-N 3.32Å; S254-T257 VanDerWaalsContact O-N 3.08Å; S254-T257 PolarHBondContact O-OG1 3.24Å; S254-N259 WeakPolarHBondContact CB-O 3.32Å; S254-N259 PolarHBondContact OG-O 3.09Å; S254-A260 WeakPolarHBondContact O-CB 3.27Å; S254-A260 WeakPolarHBondContact OG-CA 3.31Å; S254-I286 PolarHBondContact N-O 2.83Å; S254-I286 VanDerWaalsContact N-O 3.07Å
255	V	86.4	Confident	84.1	Confident	6 Å²	6	21.6 Å²	21.6	4%	0.036	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	144.1	178.8	68.4	0	0	0	0	111.8	T257 I286 L287 L338 R343 A344 L347	V255-T257 PolarHBondContact O-N 2.92Å; V255-I286 HydrophobicContact CB-CG2 3.96Å; V255-I286 PolarHBondContact N-O 3.4Å; V255-L287 HydrophobicContact CB-CD2 4.05Å; V255-L287 HydrophobicContact CG1-CD2 4.23Å; V255-L287 HydrophobicContact CG2-CD2 3.76Å; V255-L338 HydrophobicContact CG1-CD2 4.4Å; V255-R343 WeakPolarHBondContact CG1-O 3.11Å; V255-A344 HydrophobicContact CG1-CB 4.35Å; V255-L347 HydrophobicContact CG2-CD1 4.42Å; V255-L347 HydrophobicContact CG2-CD2 3.97Å; V255-L347 HydrophobicContact CG2-CG 4.28Å
256	C	81.1	Confident	84.8	Confident	50 Å²	50	20.6 Å²	20.6	34%	0.338	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	22	-175.2	-42.2	0	0	0	0	114.2	A344 C346	C256-A344 VanDerWaalsContact SG-CA 3.57Å; C256-C346 WeakPolarHBondContact CA-SG 3.39Å; C256-C346 HydrophobicContact CB-CB 3.69Å; C256-C346 WeakPolarHBondContact CB-SG 3.46Å; C256-C346 WeakPolarHBondContact SG-CB 3.44Å; C256-C346 PolarHBondContact SG-N 2.87Å; C256-C346 VanDerWaalsContact SG-N 3.39Å; C256-C346 CovalentContact SG-SG 2.02Å; C256-C346 PolarHBondContact SG-SG 2.85Å
257	T	84.3	Confident	84.8	Confident	71 Å²	71	22.4 Å²	22.4	44%	0.436	12%	0.124	S	C	.	.	S	Bend	trans	-131.6	160.9	173.5	78.2	0	0	0	0	109.6	S254 V255 N259 A260	S254-T257 WeakPolarHBondContact O-CB 3.42Å; S254-T257 PolarHBondContact O-N 3.32Å; S254-T257 VanDerWaalsContact O-N 3.08Å; S254-T257 PolarHBondContact O-OG1 3.24Å; V255-T257 PolarHBondContact O-N 2.92Å; T257-N259 PolarHBondContact O-N 3.02Å; T257-N259 PolarHBondContact OG1-N 2.98Å; T257-A260 WeakPolarHBondContact O-CB 3.42Å; T257-A260 PolarHBondContact O-N 3.16Å
258	V	81.6	Confident	84.3	Confident	63 Å²	63	26.7 Å²	26.7	38%	0.382	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-16.7	172.7	-66.2	0	0	0	0	114	M224 A260	M224-V258 HydrophobicContact CE-CB 4.11Å; M224-V258 HydrophobicContact CE-CG2 3.35Å; M224-V258 HydrophobicContact CG-CB 3.78Å; M224-V258 HydrophobicContact CG-CG1 4.02Å; M224-V258 HydrophobicContact CG-CG2 4.04Å; V258-A260 VanDerWaalsContact C-N 3.31Å
259	N	84.1	Confident	83.5	Confident	62 Å²	62	28.2 Å²	28.2	33%	0.332	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.9	175.5	-66.2	-9.5	0	0	0	113	V220 Y251 S254 T257 T261	V220-N259 WeakPolarHBondContact CG1-OD1 3.47Å; Y251-N259 WeakPolarHBondContact CB-O 3.35Å; Y251-N259 HydrophobicContact CG-CB 4.37Å; S254-N259 WeakPolarHBondContact CB-O 3.32Å; S254-N259 PolarHBondContact OG-O 3.09Å; T257-N259 PolarHBondContact O-N 3.02Å; T257-N259 PolarHBondContact OG1-N 2.98Å; N259-T261 PolarHBondContact O-N 2.88Å
260	A	90.8	Very high	82.8	Confident	4 Å²	4	32 Å²	32	3%	0.033	17%	0.173	C	C	.	.			trans	-72.6	53.6	178.8	0	0	0	0	0	112.2	D233 V234 T235 S254 T257 V258 I286	D233-A260 WeakPolarHBondContact O-CB 3.35Å; V234-A260 VanDerWaalsContact CA-O 3.27Å; V234-A260 WeakPolarHBondContact CA-O 3Å; V234-A260 HydrophobicContact CG2-CB 4.45Å; T235-A260 PolarHBondContact N-O 2.93Å; S254-A260 WeakPolarHBondContact O-CB 3.27Å; S254-A260 WeakPolarHBondContact OG-CA 3.31Å; T257-A260 WeakPolarHBondContact O-CB 3.42Å; T257-A260 PolarHBondContact O-N 3.16Å; V258-A260 VanDerWaalsContact C-N 3.31Å; A260-I286 HydrophobicContact CB-CG2 4.07Å
261	T	91.8	Very high	82.4	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	150.9	-175.7	62.8	0	0	0	0	110.9	L219 V220 T235 N259	L219-T261 HydrophobicContact CD2-CG2 4.42Å; L219-T261 HydrophobicContact CG-CG2 4.12Å; V220-T261 HydrophobicContact CG2-CG2 3.94Å; V220-T261 VanDerWaalsContact CG2-OG1 3.27Å; V220-T261 WeakPolarHBondContact CG2-OG1 3.18Å; T235-T261 CarbonylContact O-C 3.6Å; T235-T261 VanDerWaalsContact O-CA 3.23Å; T235-T261 WeakPolarHBondContact O-CA 3.07Å; N259-T261 PolarHBondContact O-N 2.88Å
262	G	92.7	Very high	82.8	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.7	176.3	0	0	0	0	0	112.9	T235 F236 L237 A249	T235-G262 PolarHBondContact O-N 2.84Å; F236-G262 CarbonylContact C-O 3.49Å; F236-G262 VanDerWaalsContact CA-O 3.26Å; F236-G262 WeakPolarHBondContact CA-O 3.4Å; L237-G262 PolarHBondContact N-O 3.02Å; A249-G262 CarbonylContact O-C 3.55Å; A249-G262 WeakPolarHBondContact O-CA 3.24Å
263	L	92.5	Very high	82.9	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.4	174.9	179.1	66.5	0	0	0	108.7	D212 T215 L216 L237 T239 I248 A249	D212-L263 HydrophobicContact CB-CD2 4.14Å; T215-L263 HydrophobicContact CG2-CD1 3.88Å; T215-L263 HydrophobicContact CG2-CD2 3.88Å; L216-L263 HydrophobicContact CD2-CB 3.87Å; L216-L263 HydrophobicContact CG-CB 4.19Å; L237-L263 HydrophobicContact CB-CD1 4.16Å; L237-L263 HydrophobicContact CD2-CD1 3.86Å; L237-L263 HydrophobicContact CG-CD1 4.05Å; T239-L263 HydrophobicContact CG2-CD1 3.52Å; T239-L263 HydrophobicContact CG2-CG 4.35Å; I248-L263 WeakPolarHBondContact CA-O 3.24Å; A249-L263 HydrophobicContact CB-CB 4.19Å; A249-L263 PolarHBondContact N-O 2.95Å; A249-L263 PolarHBondContact O-N 3.38Å
264	I	91.5	Very high	83	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	118.3	172.9	-66	171.5	0	0	0	109.1	F236 L237 L238 T239 I248 A266 L278 M279	F236-I264 HydrophobicContact CD1-CD1 3.59Å; F236-I264 HydrophobicContact CD1-CG1 3.85Å; F236-I264 HydrophobicContact CE1-CD1 3.72Å; F236-I264 HydrophobicContact CE1-CG1 3.98Å; F236-I264 HydrophobicContact CG-CD1 4.41Å; L237-I264 PolarHBondContact O-N 3.08Å; L238-I264 HydrophobicContact CD2-CB 3.76Å; L238-I264 HydrophobicContact CD2-CD1 4.05Å; L238-I264 HydrophobicContact CD2-CG1 4.39Å; L238-I264 HydrophobicContact CD2-CG2 4.17Å; T239-I264 WeakPolarHBondContact CG2-O 2.79Å; T239-I264 PolarHBondContact N-O 3.32Å; I248-I264 HydrophobicContact CD1-CG1 4.32Å; I248-I264 HydrophobicContact CG1-CG1 4.29Å; I264-A266 HydrophobicContact CG2-CB 4.42Å; I264-L278 HydrophobicContact CD1-CB 3.97Å; I264-L278 HydrophobicContact CG1-CB 4.34Å; I264-L278 HydrophobicContact CG2-CB 4.29Å; I264-L278 HydrophobicContact CG2-CD1 3.72Å; I264-M279 HydrophobicContact CD1-CB 4.29Å; I264-M279 HydrophobicContact CD1-CG 3.42Å; I264-M279 VanDerWaalsContact CD1-CG 3.42Å
265	R	87.5	Confident	83.1	Confident	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112	170	-54.2	-163.8	-178.2	-90.8	-0.1	109.9	T209 D212 T239 S241 S246 Q247 I267	T209-R265 PolarHBondContact O-NH1 3.34Å; T209-R265 PolarHBondContact O-NH2 3.42Å; D212-R265 IonicContact OD1-CZ 3.04Å; D212-R265 IonicContact OD1-NE 2.8Å; D212-R265 PolarHBondContact OD1-NE 2.97Å; D212-R265 IonicContact OD1-NH2 3.96Å; D212-R265 PolarHBondContact OD1-NH2 2.77Å; T239-R265 HydrophobicContact CG2-CB 4.47Å; T239-R265 HydrophobicContact CG2-CG 3.83Å; T239-R265 CarbonylContact O-C 3.6Å; T239-R265 WeakPolarHBondContact O-CA 3.37Å; S241-R265 WeakPolarHBondContact O-CD 3.47Å; S241-R265 PolarHBondContact O-NH1 3.45Å; S246-R265 WeakPolarHBondContact CA-O 3.14Å; S246-R265 WeakPolarHBondContact CB-O 3.46Å; S246-R265 PolarHBondContact OG-O 3.22Å; Q247-R265 HydrophobicContact CB-CB 4.26Å; Q247-R265 HydrophobicContact CB-CG 4.35Å; Q247-R265 PolarHBondContact N-O 3.46Å; Q247-R265 PolarHBondContact O-N 3.04Å; R265-I267 HydrophobicContact CB-CD1 4.48Å
266	A	81.6	Confident	83.3	Confident	1 Å²	1	27 Å²	27	1%	0.008	15%	0.149	C	C	.	.			trans	-110.6	55.6	-166.8	0	0	0	0	0	114	M159 T239 I264 I275	M159-A266 HydrophobicContact CE-CB 4.13Å; T239-A266 PolarHBondContact O-N 2.8Å; I264-A266 HydrophobicContact CG2-CB 4.42Å; A266-I275 HydrophobicContact CB-CD1 3.51Å
267	I	71	Confident	83.5	Confident	40 Å²	40	25.4 Å²	25.4	21%	0.205	14%	0.137	C	C	.	.			trans	-86.8	-36.3	-164	-55.3	179.6	0	0	0	113.6	V240 E243 S246 R265	V240-I267 HydrophobicContact CB-CG1 4.24Å; V240-I267 VanDerWaalsContact O-CD1 3.27Å; V240-I267 WeakPolarHBondContact O-CD1 3.46Å; E243-I267 WeakPolarHBondContact O-CD1 3.46Å; S246-I267 PolarHBondContact OG-N 2.8Å; R265-I267 HydrophobicContact CB-CD1 4.48Å
268	L	66.4	Low	83.7	Confident	92 Å²	92	22.7 Å²	22.7	48%	0.482	12%	0.12	S	C	.	.	S	Bend	trans	-95.2	-31.9	-168.5	-66.4	171.4	0	0	0	113.6	S97	S97-L268 WeakPolarHBondContact O-CD1 3.49Å
269	K	67	Low	84.2	Confident	37 Å²	37	19.8 Å²	19.8	16%	0.161	10%	0.102	C	C	.	.			trans	-140	127.2	-177.6	-69.3	-158.5	166.3	-178.3	0	111.1	D94 S97 Y274	D94-K269 IonicContact OD2-NZ 2.74Å; D94-K269 PolarHBondContact OD2-NZ 3.14Å; S97-K269 VanDerWaalsContact CB-CE 3.49Å; S97-K269 WeakPolarHBondContact OG-CD 3.27Å; S97-K269 WeakPolarHBondContact OG-CE 3.07Å; S97-K269 PolarHBondContact OG-NZ 2.97Å; K269-Y274 HydrophobicContact CB-CD2 3.72Å; K269-Y274 HydrophobicContact CB-CE2 4.07Å; K269-Y274 HydrophobicContact CB-CG 4.17Å; K269-Y274 HydrophobicContact CD-CD2 3.92Å; K269-Y274 HydrophobicContact CD-CE1 4.04Å; K269-Y274 HydrophobicContact CD-CE2 3.44Å; K269-Y274 VanDerWaalsContact CD-CE2 3.44Å; K269-Y274 HydrophobicContact CD-CG 4.42Å; K269-Y274 VanDerWaalsContact CD-CZ 3.43Å; K269-Y274 HydrophobicContact CG-CD2 4.46Å; K269-Y274 HydrophobicContact CG-CE2 4.34Å; K269-Y274 PolarHBondContact NZ-OH 2.86Å
270	D	71.6	Confident	84.6	Confident	80 Å²	80	16.9 Å²	16.9	43%	0.428	9%	0.086	S	C	.	.			trans	-112.7	8.3	-164.4	89.8	-44.9	0	0	0	112.7	W162 K163 Y173	W162-D270 HydrophobicContact CH2-CB 3.45Å; W162-D270 VanDerWaalsContact CH2-CB 3.45Å; W162-D270 HydrophobicContact CZ3-CB 3.75Å; K163-D270 VanDerWaalsContact NZ-CB 3.32Å; K163-D270 PolarHBondContact NZ-O 2.76Å; K163-D270 IonicContact NZ-OD2 2.67Å; K163-D270 PolarHBondContact NZ-OD2 3.25Å; Y173-D270 WeakPolarHBondContact CE2-O 3.35Å; Y173-D270 PolarHBondContact OH-O 2.8Å
271	H	80	Confident	84.5	Confident	33 Å²	33	17.3 Å²	17.3	15%	0.153	9%	0.088	C	C	.	.	S	Bend	trans	-84.9	146	-177.1	-171.6	-85.9	0	0	0	112.8	M69 V273 Y274	M69-H271 HydrophobicContact CE-CB 3.6Å; M69-H271 WeakPolarHBondContact CE-CD2 3.41Å; M69-H271 WeakPolarHBondContact CE-CE1 3.46Å; M69-H271 WeakPolarHBondContact CE-ND1 3.33Å; M69-H271 WeakPolarHBondContact CE-NE2 3.49Å; M69-H271 VanDerWaalsContact CG-CE1 3.49Å; M69-H271 WeakPolarHBondContact CG-CE1 3.47Å; H271-V273 PolarHBondContact ND1-N 2.78Å; H271-V273 PolarHBondContact O-N 3.3Å; H271-Y274 HydrophobicContact CB-CD2 3.79Å; H271-Y274 HydrophobicContact CB-CE2 4.18Å; H271-Y274 WeakPolarHBondContact O-CB 3.41Å; H271-Y274 PolarHBondContact O-N 3.15Å
272	P	87.6	Confident	84.5	Confident	13 Å²	13	17.3 Å²	17.3	8%	0.084	9%	0.088	C	C	.	.	H	α-helix	trans	-48.5	-49.5	-176.6	-34.5	39.1	0	0	0	116	Y173 D176 C177 Y274 I275 S276	Y173-P272 HydrophobicContact CD2-CG 3.82Å; Y173-P272 HydrophobicContact CE2-CG 3.69Å; D176-P272 HydrophobicContact CB-CB 3.95Å; D176-P272 HydrophobicContact CB-CG 3.8Å; C177-P272 HydrophobicContact CB-CB 4.48Å; C177-P272 VanDerWaalsContact SG-CA 3.51Å; P272-Y274 PolarHBondContact O-N 3.26Å; P272-I275 PolarHBondContact O-N 3.41Å; P272-I275 VanDerWaalsContact O-N 3.1Å; P272-S276 PolarHBondContact O-N 3.15Å; P272-S276 PolarHBondContact O-OG 2.69Å
273	V	85.5	Confident	84.6	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-48.7	-38.9	178.1	179.2	0	0	0	0	113.5	T60 M69 L91 T180 H271 L277	T60-V273 HydrophobicContact CG2-CG2 3.59Å; T60-V273 WeakPolarHBondContact OG1-CG2 3.18Å; M69-V273 HydrophobicContact CG-CG2 4.06Å; L91-V273 HydrophobicContact CD1-CB 4.21Å; L91-V273 HydrophobicContact CD1-CG1 3.66Å; L91-V273 HydrophobicContact CD1-CG2 4.4Å; T180-V273 HydrophobicContact CG2-CG2 4.32Å; H271-V273 PolarHBondContact ND1-N 2.78Å; H271-V273 PolarHBondContact O-N 3.3Å; V273-L277 HydrophobicContact CG1-CD1 4.08Å; V273-L277 HydrophobicContact CG1-CG 4.47Å; V273-L277 WeakPolarHBondContact O-CB 3.46Å; V273-L277 VanDerWaalsContact O-CG 3.28Å; V273-L277 WeakPolarHBondContact O-CG 3.17Å; V273-L277 PolarHBondContact O-N 3.17Å
274	Y	82.1	Confident	84.5	Confident	15 Å²	15	17.2 Å²	17.2	6%	0.059	9%	0.087	C	C	.	.	H	α-helix	trans	-72.9	-44.7	-176.6	-67.7	-56.1	0	0	0	111.6	M69 L91 F98 K269 H271 P272 S276 L277 L278	M69-Y274 HydrophobicContact CE-CE2 4.38Å; L91-Y274 HydrophobicContact CD2-CE1 4.19Å; L91-Y274 HydrophobicContact CD2-CE2 4.05Å; L91-Y274 WeakPolarHBondContact CD2-OH 3.17Å; F98-Y274 AromaticContact CE2-CD1 3.67Å; F98-Y274 HydrophobicContact CE2-CD1 3.67Å; F98-Y274 AromaticContact CE2-CE1 3.97Å; F98-Y274 HydrophobicContact CE2-CE1 3.97Å; F98-Y274 AromaticContact CZ-CD1 3.35Å; F98-Y274 HydrophobicContact CZ-CD1 3.35Å; F98-Y274 HydrophobicContact CZ-CE1 4.08Å; F98-Y274 AromaticContact CZ-CG 3.85Å; F98-Y274 HydrophobicContact CZ-CG 3.85Å; K269-Y274 HydrophobicContact CB-CD2 3.72Å; K269-Y274 HydrophobicContact CB-CE2 4.07Å; K269-Y274 HydrophobicContact CB-CG 4.17Å; K269-Y274 HydrophobicContact CD-CD2 3.92Å; K269-Y274 HydrophobicContact CD-CE1 4.04Å; K269-Y274 HydrophobicContact CD-CE2 3.44Å; K269-Y274 VanDerWaalsContact CD-CE2 3.44Å; K269-Y274 HydrophobicContact CD-CG 4.42Å; K269-Y274 VanDerWaalsContact CD-CZ 3.43Å; K269-Y274 HydrophobicContact CG-CD2 4.46Å; K269-Y274 HydrophobicContact CG-CE2 4.34Å; K269-Y274 PolarHBondContact NZ-OH 2.86Å; H271-Y274 HydrophobicContact CB-CD2 3.79Å; H271-Y274 HydrophobicContact CB-CE2 4.18Å; H271-Y274 WeakPolarHBondContact O-CB 3.41Å; H271-Y274 PolarHBondContact O-N 3.15Å; P272-Y274 PolarHBondContact O-N 3.26Å; Y274-S276 VanDerWaalsContact C-N 3.31Å; Y274-S276 PolarHBondContact O-N 3.35Å; Y274-L277 PolarHBondContact O-N 3.03Å; Y274-L278 PolarHBondContact O-N 2.99Å
275	I	88.1	Confident	84.4	Confident	2 Å²	2	17.4 Å²	17.4	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-61.3	-44.2	173	-54.6	-52.7	0	0	0	109.9	Y173 C177 L238 A266 P272 L277 L278 M279	Y173-I275 WeakPolarHBondContact OH-CG1 3.39Å; C177-I275 HydrophobicContact CB-CB 4.48Å; C177-I275 HydrophobicContact CB-CG2 4.41Å; L238-I275 HydrophobicContact CD1-CG2 4.3Å; L238-I275 HydrophobicContact CD2-CG2 4.26Å; A266-I275 HydrophobicContact CB-CD1 3.51Å; P272-I275 PolarHBondContact O-N 3.41Å; P272-I275 VanDerWaalsContact O-N 3.1Å; I275-L277 VanDerWaalsContact C-N 3.29Å; I275-L277 PolarHBondContact O-N 3.47Å; I275-L278 PolarHBondContact O-N 3.16Å; I275-M279 HydrophobicContact CG2-CG 4.21Å; I275-M279 HydrophobicContact CG2-SD 3.89Å; I275-M279 WeakPolarHBondContact O-CB 3.33Å; I275-M279 VanDerWaalsContact O-CG 3.27Å; I275-M279 WeakPolarHBondContact O-CG 3.12Å; I275-M279 PolarHBondContact O-N 3.2Å
276	S	91.1	Very high	84.5	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.8	-41.7	175.9	-49.5	0	0	0	0	112.5	C177 T180 P272 Y274 T280	C177-S276 WeakPolarHBondContact CA-OG 3.41Å; C177-S276 WeakPolarHBondContact O-CB 3.43Å; C177-S276 PolarHBondContact O-OG 3.46Å; T180-S276 WeakPolarHBondContact CB-OG 3.41Å; P272-S276 PolarHBondContact O-N 3.15Å; P272-S276 PolarHBondContact O-OG 2.69Å; Y274-S276 VanDerWaalsContact C-N 3.31Å; Y274-S276 PolarHBondContact O-N 3.35Å; S276-T280 WeakPolarHBondContact O-CB 3.31Å; S276-T280 PolarHBondContact O-N 3.16Å; S276-T280 PolarHBondContact O-OG1 3.24Å
277	L	86	Confident	84.9	Confident	17 Å²	17	17.3 Å²	17.3	9%	0.089	9%	0.088	C	C	.	.	H	α-helix	trans	-66.4	-43.3	178.5	-78.4	169.6	0	0	0	112	F184 V273 Y274 I275 T280 H281 Y325	F184-L277 HydrophobicContact CD2-CD2 4.17Å; F184-L277 HydrophobicContact CE1-CD2 4.06Å; F184-L277 HydrophobicContact CE2-CD2 3.57Å; F184-L277 HydrophobicContact CE2-CG 3.75Å; F184-L277 HydrophobicContact CZ-CD2 3.53Å; F184-L277 HydrophobicContact CZ-CG 3.93Å; V273-L277 HydrophobicContact CG1-CD1 4.08Å; V273-L277 HydrophobicContact CG1-CG 4.47Å; V273-L277 WeakPolarHBondContact O-CB 3.46Å; V273-L277 VanDerWaalsContact O-CG 3.28Å; V273-L277 WeakPolarHBondContact O-CG 3.17Å; V273-L277 PolarHBondContact O-N 3.17Å; Y274-L277 PolarHBondContact O-N 3.03Å; I275-L277 VanDerWaalsContact C-N 3.29Å; I275-L277 PolarHBondContact O-N 3.47Å; L277-T280 PolarHBondContact O-N 3.2Å; L277-H281 WeakPolarHBondContact O-CB 3.44Å; L277-H281 PolarHBondContact O-N 3.3Å; L277-Y325 HydrophobicContact CD1-CD1 4.1Å; L277-Y325 HydrophobicContact CD1-CD2 4.13Å; L277-Y325 HydrophobicContact CD1-CE1 3.68Å; L277-Y325 HydrophobicContact CD1-CE2 3.79Å; L277-Y325 HydrophobicContact CD1-CG 4.29Å; L277-Y325 HydrophobicContact CD2-CD1 3.48Å; L277-Y325 VanDerWaalsContact CD2-CD1 3.48Å; L277-Y325 HydrophobicContact CD2-CD2 3.98Å; L277-Y325 HydrophobicContact CD2-CE1 3.94Å; L277-Y325 HydrophobicContact CD2-CE2 4.45Å; L277-Y325 HydrophobicContact CD2-CG 3.48Å; L277-Y325 VanDerWaalsContact CD2-CG 3.48Å; L277-Y325 HydrophobicContact CG-CD1 4.44Å; L277-Y325 HydrophobicContact CG-CE1 4.45Å
278	L	86.8	Confident	85.5	Confident	14 Å²	14	15.8 Å²	15.8	7%	0.073	8%	0.082	C	C	.	.	H	α-helix	trans	-62.9	-48.2	175.2	-67.7	176.5	0	0	0	110.6	F98 I248 I264 Y274 I275 T280 H281 G282	F98-L278 HydrophobicContact CD1-CD2 4.44Å; F98-L278 HydrophobicContact CE1-CD1 4.09Å; F98-L278 HydrophobicContact CE1-CD2 4.36Å; F98-L278 HydrophobicContact CE1-CG 4.3Å; I248-L278 WeakPolarHBondContact CD1-O 3.41Å; I264-L278 HydrophobicContact CD1-CB 3.97Å; I264-L278 HydrophobicContact CG1-CB 4.34Å; I264-L278 HydrophobicContact CG2-CB 4.29Å; I264-L278 HydrophobicContact CG2-CD1 3.72Å; Y274-L278 PolarHBondContact O-N 2.99Å; I275-L278 PolarHBondContact O-N 3.16Å; L278-T280 VanDerWaalsContact C-N 3.31Å; L278-T280 PolarHBondContact O-N 2.81Å; L278-H281 PolarHBondContact O-N 3.21Å; L278-H281 VanDerWaalsContact O-N 3.16Å; L278-G282 PolarHBondContact O-N 3.42Å
279	M	93.3	Very high	86.4	Confident	3 Å²	3	11.4 Å²	11.4	2%	0.015	6%	0.059	C	C	.	.	H	α-helix	trans	-57	-44.6	174.4	-67.6	176.2	89.9	0	0	111.4	L151 V153 L181 F236 I264 I275 H281 G282 I283	L151-M279 HydrophobicContact CD1-CE 4.03Å; L151-M279 HydrophobicContact CD2-CE 3.63Å; L151-M279 HydrophobicContact CG-CE 4.39Å; V153-M279 HydrophobicContact CG2-CE 3.89Å; L181-M279 HydrophobicContact CD1-CB 4.04Å; L181-M279 HydrophobicContact CD2-CB 4.03Å; L181-M279 HydrophobicContact CD2-CE 3.99Å; L181-M279 HydrophobicContact CD2-SD 4.15Å; F236-M279 HydrophobicContact CB-CE 4.39Å; F236-M279 HydrophobicContact CD2-CE 3.97Å; F236-M279 HydrophobicContact CE2-CB 4.47Å; F236-M279 HydrophobicContact CG-CE 4.29Å; I264-M279 HydrophobicContact CD1-CB 4.29Å; I264-M279 HydrophobicContact CD1-CG 3.42Å; I264-M279 VanDerWaalsContact CD1-CG 3.42Å; I275-M279 HydrophobicContact CG2-CG 4.21Å; I275-M279 HydrophobicContact CG2-SD 3.89Å; I275-M279 WeakPolarHBondContact O-CB 3.33Å; I275-M279 VanDerWaalsContact O-CG 3.27Å; I275-M279 WeakPolarHBondContact O-CG 3.12Å; I275-M279 PolarHBondContact O-N 3.2Å; M279-H281 VanDerWaalsContact C-N 3.33Å; M279-H281 PolarHBondContact O-N 2.98Å; M279-G282 PolarHBondContact O-N 2.82Å; M279-I283 VanDerWaalsContact O-CB 3.31Å; M279-I283 WeakPolarHBondContact O-CB 3.2Å; M279-I283 VanDerWaalsContact O-CG1 3.22Å; M279-I283 WeakPolarHBondContact O-CG1 3.28Å; M279-I283 PolarHBondContact O-N 2.84Å
280	T	93	Very high	86.9	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.5	-42.7	178.5	-52.8	0	0	0	0	111.5	L181 F184 L185 S276 L277 L278 G284 I306 F327	L181-T280 WeakPolarHBondContact CD1-OG1 3.13Å; F184-T280 HydrophobicContact CB-CG2 3.66Å; F184-T280 WeakPolarHBondContact CB-OG1 3.19Å; F184-T280 WeakPolarHBondContact CD2-OG1 3.36Å; L185-T280 HydrophobicContact CD2-CG2 4.08Å; L185-T280 HydrophobicContact CG-CG2 4.31Å; S276-T280 WeakPolarHBondContact O-CB 3.31Å; S276-T280 PolarHBondContact O-N 3.16Å; S276-T280 PolarHBondContact O-OG1 3.24Å; L277-T280 PolarHBondContact O-N 3.2Å; L278-T280 VanDerWaalsContact C-N 3.31Å; L278-T280 PolarHBondContact O-N 2.81Å; T280-G284 PolarHBondContact O-N 3.06Å; T280-I306 HydrophobicContact CG2-CD1 4.15Å; T280-I306 HydrophobicContact CG2-CG2 3.72Å; T280-F327 HydrophobicContact CG2-CE2 3.79Å; T280-F327 HydrophobicContact CG2-CZ 3.72Å
281	H	88.3	Confident	86.9	Confident	14 Å²	14	10.3 Å²	10.3	7%	0.065	5%	0.049	C	C	.	.	H	α-helix	trans	-65.2	-46.2	178.1	-172.6	99	0	0	0	111.4	E117 L277 L278 M279 G284 H285 H291 I306	E117-H281 IonicContact OE1-CE1 3.78Å; E117-H281 IonicContact OE1-NE2 3.76Å; E117-H281 IonicContact OE2-NE2 3.93Å; E117-H281 PolarHBondContact OE2-NE2 3.35Å; L277-H281 WeakPolarHBondContact O-CB 3.44Å; L277-H281 PolarHBondContact O-N 3.3Å; L278-H281 PolarHBondContact O-N 3.21Å; L278-H281 VanDerWaalsContact O-N 3.16Å; M279-H281 VanDerWaalsContact C-N 3.33Å; M279-H281 PolarHBondContact O-N 2.98Å; H281-G284 WeakPolarHBondContact O-CA 3.43Å; H281-G284 PolarHBondContact O-N 3.11Å; H281-G284 VanDerWaalsContact O-N 3.14Å; H281-H285 AromaticContact CD2-CD2 3.52Å; H281-H285 AromaticContact CD2-NE2 3.46Å; H281-H285 PolarHBondContact CD2-NE2 3.38Å; H281-H285 AromaticContact CE1-NE2 3.85Å; H281-H285 AromaticContact NE2-CD2 3.52Å; H281-H285 AromaticContact NE2-NE2 2.91Å; H281-H285 PolarHBondContact NE2-NE2 2.8Å; H281-H285 PolarHBondContact O-CD2 2.84Å; H281-H285 PolarHBondContact O-N 3.39Å; H281-H291 AromaticContact CE1-CD2 3.75Å; H281-H291 AromaticContact CE1-NE2 3.7Å; H281-H291 AromaticContact NE2-CD2 3.82Å; H281-H291 AromaticContact NE2-NE2 3.35Å; H281-H291 PolarHBondContact NE2-NE2 3.07Å; H281-I306 PolarHBondContact ND1-O 3.01Å
282	G	91	Very high	86.3	Confident	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-60.7	-47.9	176.4	0	0	0	0	0	112.5	L278 M279 G284 H285 I286	L278-G282 PolarHBondContact O-N 3.42Å; M279-G282 PolarHBondContact O-N 2.82Å; G282-G284 PolarHBondContact O-N 2.67Å; G282-H285 PolarHBondContact O-N 3.04Å; G282-I286 WeakPolarHBondContact O-CG1 3.4Å; G282-I286 PolarHBondContact O-N 3.47Å
283	I	94.7	Very high	84.9	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58.2	-39.2	173.9	-71.4	169.8	0	0	0	110.1	L149 L181 L185 V234 F236 M279 H285 I286 L287	L149-I283 HydrophobicContact CD1-CG2 3.7Å; L149-I283 HydrophobicContact CD2-CD1 4.35Å; L181-I283 HydrophobicContact CD1-CD1 4.15Å; L181-I283 HydrophobicContact CD2-CD1 4.02Å; L185-I283 HydrophobicContact CD1-CD1 3.85Å; L185-I283 HydrophobicContact CD1-CG2 4.11Å; L185-I283 HydrophobicContact CD2-CG2 3.89Å; V234-I283 HydrophobicContact CG1-CG1 4.44Å; F236-I283 HydrophobicContact CE2-CD1 4.05Å; F236-I283 HydrophobicContact CE2-CG1 3.64Å; F236-I283 HydrophobicContact CZ-CG1 4.06Å; M279-I283 VanDerWaalsContact O-CB 3.31Å; M279-I283 WeakPolarHBondContact O-CB 3.2Å; M279-I283 VanDerWaalsContact O-CG1 3.22Å; M279-I283 WeakPolarHBondContact O-CG1 3.28Å; M279-I283 PolarHBondContact O-N 2.84Å; I283-H285 VanDerWaalsContact C-N 3.31Å; I283-H285 PolarHBondContact O-N 3.13Å; I283-I286 PolarHBondContact O-N 3.33Å; I283-L287 HydrophobicContact CG2-CD1 3.66Å; I283-L287 HydrophobicContact CG2-CG 3.94Å; I283-L287 VanDerWaalsContact O-CB 3.29Å; I283-L287 WeakPolarHBondContact O-CB 3.31Å; I283-L287 WeakPolarHBondContact O-CG 3.45Å; I283-L287 PolarHBondContact O-N 3.27Å
284	G	91.5	Very high	83.1	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-53.8	-47.6	173.8	0	0	0	0	0	112.6	T280 H281 G282 L287 G288 L289	T280-G284 PolarHBondContact O-N 3.06Å; H281-G284 WeakPolarHBondContact O-CA 3.43Å; H281-G284 PolarHBondContact O-N 3.11Å; H281-G284 VanDerWaalsContact O-N 3.14Å; G282-G284 PolarHBondContact O-N 2.67Å; G284-L287 CarbonylContact O-C 3.59Å; G284-L287 PolarHBondContact O-N 2.85Å; G284-G288 PolarHBondContact O-N 3.16Å; G284-L289 WeakPolarHBondContact O-CA 3.3Å; G284-L289 WeakPolarHBondContact O-CB 3.18Å; G284-L289 WeakPolarHBondContact O-CG 3.13Å; G284-L289 PolarHBondContact O-N 3.05Å
285	H	88	Confident	81.2	Confident	3 Å²	3	17.8 Å²	17.8	1%	0.014	10%	0.095	C	C	.	.	H	α-helix	trans	-68.5	-40.3	176.2	-72.2	-63.6	0	0	0	113.2	L119 V250 P252 K253 H281 G282 I283 L287 G288 L289 H291	L119-H285 VanDerWaalsContact CD1-CE1 3.44Å; L119-H285 WeakPolarHBondContact CD1-CE1 3.46Å; L119-H285 HydrophobicContact CD2-CB 4.02Å; V250-H285 HydrophobicContact CG2-CB 3.62Å; P252-H285 CarbonylContact C-O 3.49Å; P252-H285 WeakPolarHBondContact CA-O 3.17Å; P252-H285 HydrophobicContact CB-CB 4.34Å; K253-H285 PolarHBondContact N-O 2.67Å; H281-H285 AromaticContact CD2-CD2 3.52Å; H281-H285 AromaticContact CD2-NE2 3.46Å; H281-H285 PolarHBondContact CD2-NE2 3.38Å; H281-H285 AromaticContact CE1-NE2 3.85Å; H281-H285 AromaticContact NE2-CD2 3.52Å; H281-H285 AromaticContact NE2-NE2 2.91Å; H281-H285 PolarHBondContact NE2-NE2 2.8Å; H281-H285 PolarHBondContact O-CD2 2.84Å; H281-H285 PolarHBondContact O-N 3.39Å; G282-H285 PolarHBondContact O-N 3.04Å; I283-H285 VanDerWaalsContact C-N 3.31Å; I283-H285 PolarHBondContact O-N 3.13Å; H285-L287 VanDerWaalsContact C-N 3.25Å; H285-L287 PolarHBondContact O-N 3.11Å; H285-G288 VanDerWaalsContact O-CA 3.28Å; H285-G288 WeakPolarHBondContact O-CA 3.46Å; H285-G288 PolarHBondContact O-N 3.26Å; H285-L289 PolarHBondContact ND1-O 3.31Å; H285-L289 VanDerWaalsContact ND1-O 3.13Å; H285-H291 AromaticContact CE1-CD2 3.61Å; H285-H291 AromaticContact CE1-CE1 3.67Å; H285-H291 AromaticContact CE1-CG 4Å; H285-H291 AromaticContact CE1-NE2 3.37Å; H285-H291 PolarHBondContact CE1-NE2 2.8Å; H285-H291 AromaticContact NE2-CD2 3.71Å; H285-H291 AromaticContact NE2-CE1 3.81Å; H285-H291 AromaticContact NE2-NE2 3.2Å; H285-H291 PolarHBondContact NE2-NE2 3.22Å; H285-H291 VanDerWaalsContact NE2-NE2 3.2Å
286	I	90.8	Very high	79.3	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.6	-40.4	174.6	-68.6	171.3	0	0	0	110.3	V234 F236 V250 K253 S254 V255 A260 G282 I283 G288	V234-I286 HydrophobicContact CG1-CD1 3.69Å; V234-I286 HydrophobicContact CG2-CG2 4.01Å; F236-I286 HydrophobicContact CZ-CD1 4.38Å; V250-I286 HydrophobicContact CB-CD1 4.45Å; V250-I286 HydrophobicContact CB-CG1 4.11Å; V250-I286 HydrophobicContact CG1-CD1 4.06Å; V250-I286 HydrophobicContact CG1-CG1 4.19Å; K253-I286 CarbonylContact C-O 3.57Å; K253-I286 VanDerWaalsContact CA-O 3.3Å; K253-I286 WeakPolarHBondContact CA-O 3.22Å; K253-I286 PolarHBondContact N-O 2.79Å; S254-I286 PolarHBondContact N-O 2.83Å; S254-I286 VanDerWaalsContact N-O 3.07Å; V255-I286 HydrophobicContact CB-CG2 3.96Å; V255-I286 PolarHBondContact N-O 3.4Å; A260-I286 HydrophobicContact CB-CG2 4.07Å; G282-I286 WeakPolarHBondContact O-CG1 3.4Å; G282-I286 PolarHBondContact O-N 3.47Å; I283-I286 PolarHBondContact O-N 3.33Å; I286-G288 PolarHBondContact O-N 3.35Å; I286-G288 VanDerWaalsContact O-N 3.16Å
287	L	89.2	Confident	77.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	8.1	170.3	-63.9	178.2	0	0	0	113.8	I188 V255 I283 G284 H285 L289 F335 L338 L347	I188-L287 HydrophobicContact CD1-CD1 3.99Å; V255-L287 HydrophobicContact CB-CD2 4.05Å; V255-L287 HydrophobicContact CG1-CD2 4.23Å; V255-L287 HydrophobicContact CG2-CD2 3.76Å; I283-L287 HydrophobicContact CG2-CD1 3.66Å; I283-L287 HydrophobicContact CG2-CG 3.94Å; I283-L287 VanDerWaalsContact O-CB 3.29Å; I283-L287 WeakPolarHBondContact O-CB 3.31Å; I283-L287 WeakPolarHBondContact O-CG 3.45Å; I283-L287 PolarHBondContact O-N 3.27Å; G284-L287 CarbonylContact O-C 3.59Å; G284-L287 PolarHBondContact O-N 2.85Å; H285-L287 VanDerWaalsContact C-N 3.25Å; H285-L287 PolarHBondContact O-N 3.11Å; L287-L289 VanDerWaalsContact C-N 3.35Å; L287-L289 HydrophobicContact CB-CG 4.37Å; L287-L289 PolarHBondContact O-N 3.4Å; L287-F335 HydrophobicContact CB-CD2 4.36Å; L287-F335 HydrophobicContact CB-CE2 4.27Å; L287-F335 HydrophobicContact CD1-CD2 4.33Å; L287-F335 HydrophobicContact CD1-CE2 3.81Å; L287-F335 HydrophobicContact CD1-CZ 4.42Å; L287-F335 HydrophobicContact CD2-CE2 4.09Å; L287-F335 HydrophobicContact CG-CE2 4.29Å; L287-L338 WeakPolarHBondContact O-CD1 3.41Å; L287-L338 WeakPolarHBondContact O-CD2 3.34Å; L287-L347 HydrophobicContact CD2-CD1 3.75Å
288	G	84.6	Confident	75.2	Confident	8 Å²	8	38.3 Å²	38.3	8%	0.082	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	14.9	174.2	0	0	0	0	0	116.3	K253 G284 H285 I286	K253-G288 VanDerWaalsContact CG-CA 3.4Å; G284-G288 PolarHBondContact O-N 3.16Å; H285-G288 VanDerWaalsContact O-CA 3.28Å; H285-G288 WeakPolarHBondContact O-CA 3.46Å; H285-G288 PolarHBondContact O-N 3.26Å; I286-G288 PolarHBondContact O-N 3.35Å; I286-G288 VanDerWaalsContact O-N 3.16Å
289	L	84.5	Confident	73.2	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-78.2	129.8	177.2	-48.7	175.4	0	0	0	109.5	G284 H285 L287 M307 F327 T331 E334 F335	G284-L289 WeakPolarHBondContact O-CA 3.3Å; G284-L289 WeakPolarHBondContact O-CB 3.18Å; G284-L289 WeakPolarHBondContact O-CG 3.13Å; G284-L289 PolarHBondContact O-N 3.05Å; H285-L289 PolarHBondContact ND1-O 3.31Å; H285-L289 VanDerWaalsContact ND1-O 3.13Å; L287-L289 VanDerWaalsContact C-N 3.35Å; L287-L289 HydrophobicContact CB-CG 4.37Å; L287-L289 PolarHBondContact O-N 3.4Å; L289-M307 HydrophobicContact CB-CE 4.18Å; L289-M307 HydrophobicContact CB-CG 4.32Å; L289-M307 HydrophobicContact CB-SD 4.47Å; L289-F327 HydrophobicContact CD1-CE1 3.97Å; L289-T331 HydrophobicContact CB-CG2 4.15Å; L289-T331 HydrophobicContact CD1-CG2 3.63Å; L289-T331 HydrophobicContact CD2-CG2 4.08Å; L289-T331 HydrophobicContact CG-CG2 4.15Å; L289-E334 HydrophobicContact CD2-CB 4.29Å; L289-E334 HydrophobicContact CD2-CG 4.27Å; L289-F335 HydrophobicContact CD2-CB 3.77Å; L289-F335 HydrophobicContact CD2-CD2 4.38Å
290	R	76.5	Confident	71.2	Confident	66 Å²	66	49 Å²	49	25%	0.249	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-88.5	159.5	178.5	-60.4	-174.5	-175.2	98.7	-12.4	111.3	E124 R126 E292 E334	E124-R290 IonicContact OE2-CZ 2.78Å; E124-R290 VanDerWaalsContact OE2-CZ 3.26Å; E124-R290 IonicContact OE2-NE 2.72Å; E124-R290 PolarHBondContact OE2-NE 3.08Å; E124-R290 VanDerWaalsContact OE2-NE 3.09Å; E124-R290 IonicContact OE2-NH2 3.35Å; E124-R290 PolarHBondContact OE2-NH2 2.8Å; R126-R290 HydrophobicContact CB-CB 4.17Å; R290-E292 PolarHBondContact O-N 3.08Å; R290-E334 IonicContact CZ-OE1 2.59Å; R290-E334 IonicContact NH1-OE1 2.99Å; R290-E334 PolarHBondContact NH1-OE1 3.16Å
291	H	71.7	Confident	69.5	Low	27 Å²	27	51 Å²	51	13%	0.125	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-55.5	139.1	168.6	-66.4	130.6	0	0	0	111.9	E117 R126 H281 H285 N293 M307	E117-H291 IonicContact OE2-CD2 3.98Å; E117-H291 IonicContact OE2-CE1 2.73Å; E117-H291 PolarHBondContact OE2-CE1 2.88Å; E117-H291 IonicContact OE2-NE2 2.82Å; E117-H291 PolarHBondContact OE2-NE2 3.21Å; R126-H291 WeakPolarHBondContact CB-O 3.11Å; H281-H291 AromaticContact CE1-CD2 3.75Å; H281-H291 AromaticContact CE1-NE2 3.7Å; H281-H291 AromaticContact NE2-CD2 3.82Å; H281-H291 AromaticContact NE2-NE2 3.35Å; H281-H291 PolarHBondContact NE2-NE2 3.07Å; H285-H291 AromaticContact CE1-CD2 3.61Å; H285-H291 AromaticContact CE1-CE1 3.67Å; H285-H291 AromaticContact CE1-CG 4Å; H285-H291 AromaticContact CE1-NE2 3.37Å; H285-H291 PolarHBondContact CE1-NE2 2.8Å; H285-H291 AromaticContact NE2-CD2 3.71Å; H285-H291 AromaticContact NE2-CE1 3.81Å; H285-H291 AromaticContact NE2-NE2 3.2Å; H285-H291 PolarHBondContact NE2-NE2 3.22Å; H285-H291 VanDerWaalsContact NE2-NE2 3.2Å; H291-N293 PolarHBondContact O-N 3.09Å; H291-M307 CarbonylContact C-O 3.23Å; H291-M307 WeakPolarHBondContact CA-O 3.29Å
292	E	67.6	Low	68.3	Low	9 Å²	9	53.1 Å²	53.1	4%	0.042	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-75.4	113.1	163.7	-68.9	-162.5	129.2	0	0	109	R290 S294 K301 S305 M307 T328	R290-E292 PolarHBondContact O-N 3.08Å; E292-S294 PolarHBondContact O-N 2.71Å; E292-K301 IonicContact OE1-NZ 3.91Å; E292-K301 PolarHBondContact OE1-NZ 3.22Å; E292-K301 IonicContact OE2-NZ 3.91Å; E292-K301 PolarHBondContact OE2-NZ 3.5Å; E292-S305 WeakPolarHBondContact OE2-CB 3.49Å; E292-S305 PolarHBondContact OE2-OG 2.95Å; E292-M307 PolarHBondContact N-O 3.32Å; E292-T328 VanDerWaalsContact OE1-CB 3.25Å; E292-T328 WeakPolarHBondContact OE1-CB 3.3Å; E292-T328 WeakPolarHBondContact OE1-CG2 3.32Å; E292-T328 PolarHBondContact OE1-OG1 2.89Å; E292-T328 WeakPolarHBondContact OE2-CG2 3.35Å
293	N	58	Low	67.1	Low	38 Å²	38	55.3 Å²	55.3	20%	0.203	27%	0.27	C	S	.	.			trans	-56.5	128.2	165.8	-84.4	-17.9	0	0	0	108.5	T125 R126 H291 D295 N298	T125-N293 WeakPolarHBondContact CB-ND2 3.2Å; T125-N293 WeakPolarHBondContact CB-OD1 3.14Å; T125-N293 PolarHBondContact OG1-ND2 3.08Å; R126-N293 WeakPolarHBondContact O-CB 3.46Å; R126-N293 PolarHBondContact O-ND2 3.42Å; H291-N293 PolarHBondContact O-N 3.09Å; N293-D295 HydrophobicContact CB-CB 4.21Å; N293-D295 PolarHBondContact O-N 3.33Å; N293-N298 PolarHBondContact O-ND2 3.24Å
294	S	49.1	Very low	66	Low	71 Å²	71	55.7 Å²	55.7	50%	0.497	27%	0.272	S	S	.	.			trans	-68.9	28.6	170.7	63.2	0	0	0	0	112	E292	E292-S294 PolarHBondContact O-N 2.71Å
295	D	42.5	Very low	65.3	Low	100 Å²	100	56.5 Å²	56.5	54%	0.535	28%	0.278	S	S	.	.			trans	-66.6	138.9	-175.2	-137.6	-7.2	0	0	0	108.9	N293 R297 N298	N293-D295 HydrophobicContact CB-CB 4.21Å; N293-D295 PolarHBondContact O-N 3.33Å; D295-R297 PolarHBondContact O-N 3.02Å; D295-N298 PolarHBondContact O-N 3.32Å; D295-N298 VanDerWaalsContact O-N 3.16Å
296	K	47.2	Very low	65	Low	182 Å²	182	56.8 Å²	56.8	79%	0.791	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-45.9	-12.1	-155.5	-63.8	175.6	179	176.4	0	118.2
297	R	44.2	Very low	64.5	Low	219 Å²	219	56.8 Å²	56.8	83%	0.826	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-86.9	-13.8	-178.5	-74.8	-177.2	-85.9	-164.2	-8.3	115.1	D295 A299	D295-R297 PolarHBondContact O-N 3.02Å; R297-A299 PolarHBondContact O-N 2.75Å
298	N	45.9	Very low	63.8	Low	50 Å²	50	57.2 Å²	57.2	27%	0.267	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-78.1	10.2	172	-76	-24.2	0	0	0	113.1	N293 D295 E300 K301	N293-N298 PolarHBondContact O-ND2 3.24Å; D295-N298 PolarHBondContact O-N 3.32Å; D295-N298 VanDerWaalsContact O-N 3.16Å; N298-E300 PolarHBondContact O-N 3.37Å; N298-K301 HydrophobicContact CB-CD 4.09Å; N298-K301 HydrophobicContact CB-CG 4.48Å; N298-K301 PolarHBondContact ND2-NZ 3.35Å; N298-K301 WeakPolarHBondContact O-CB 3.34Å; N298-K301 PolarHBondContact O-N 2.61Å; N298-K301 WeakPolarHBondContact OD1-CE 3.39Å; N298-K301 PolarHBondContact OD1-NZ 3.08Å
299	A	46.5	Very low	62.7	Low	59 Å²	59	58 Å²	58	49%	0.488	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-60.8	-12.5	-179.5	0	0	0	0	0	114.8	R297	R297-A299 PolarHBondContact O-N 2.75Å
300	E	50.8	Low	61.3	Low	183 Å²	183	58.9 Å²	58.9	86%	0.855	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-86.9	-5.9	173.6	-72.3	-179	169.1	0	0	113.8	N298 D302	N298-E300 PolarHBondContact O-N 3.37Å; E300-D302 PolarHBondContact O-N 2.91Å
301	K	56	Low	60.4	Low	40 Å²	40	56.2 Å²	56.2	17%	0.174	28%	0.284	C	S	.	.			trans	-76	107.4	-178.5	-69.6	-177.7	-179.6	167.2	0	109.3	E292 N298 F303 Y321	E292-K301 IonicContact OE1-NZ 3.91Å; E292-K301 PolarHBondContact OE1-NZ 3.22Å; E292-K301 IonicContact OE2-NZ 3.91Å; E292-K301 PolarHBondContact OE2-NZ 3.5Å; N298-K301 HydrophobicContact CB-CD 4.09Å; N298-K301 HydrophobicContact CB-CG 4.48Å; N298-K301 PolarHBondContact ND2-NZ 3.35Å; N298-K301 WeakPolarHBondContact O-CB 3.34Å; N298-K301 PolarHBondContact O-N 2.61Å; N298-K301 WeakPolarHBondContact OD1-CE 3.39Å; N298-K301 PolarHBondContact OD1-NZ 3.08Å; K301-F303 HydrophobicContact CB-CD1 4.34Å; K301-F303 HydrophobicContact CB-CE1 4.13Å; K301-F303 HydrophobicContact CD-CE1 4.38Å; K301-F303 HydrophobicContact CD-CZ 4.01Å; K301-F303 HydrophobicContact CG-CE1 4.05Å; K301-F303 HydrophobicContact CG-CZ 4.2Å; K301-F303 PolarHBondContact O-N 3.02Å; K301-F303 VanDerWaalsContact O-N 3.11Å; K301-Y321 WeakPolarHBondContact O-CD1 3.46Å; K301-Y321 WeakPolarHBondContact O-CE1 3.23Å
302	D	63.2	Low	59.6	Low	59 Å²	59	62.7 Å²	62.7	32%	0.316	31%	0.308	S	S	.	.			trans	-70.3	11	170.9	-112.5	22.1	0	0	0	111.9	E300 R322	E300-D302 PolarHBondContact O-N 2.91Å; D302-R322 HydrophobicContact CB-CG 4.14Å; D302-R322 WeakPolarHBondContact O-CA 3.47Å; D302-R322 WeakPolarHBondContact O-CB 3.47Å; D302-R322 WeakPolarHBondContact O-CD 3.09Å; D302-R322 WeakPolarHBondContact O-CG 3.45Å; D302-R322 PolarHBondContact O-N 2.9Å; D302-R322 IonicContact OD2-CZ 2.9Å; D302-R322 VanDerWaalsContact OD2-CZ 3.31Å; D302-R322 IonicContact OD2-NE 3.71Å; D302-R322 PolarHBondContact OD2-NE 3.26Å; D302-R322 IonicContact OD2-NH2 3.66Å; D302-R322 PolarHBondContact OD2-NH2 2.86Å
303	F	66.1	Low	58.9	Low	47 Å²	47	63.9 Å²	63.9	21%	0.206	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	170.6	-172.5	65.9	-90.5	0	0	0	113.2	K301 R322 L326 T328	K301-F303 HydrophobicContact CB-CD1 4.34Å; K301-F303 HydrophobicContact CB-CE1 4.13Å; K301-F303 HydrophobicContact CD-CE1 4.38Å; K301-F303 HydrophobicContact CD-CZ 4.01Å; K301-F303 HydrophobicContact CG-CE1 4.05Å; K301-F303 HydrophobicContact CG-CZ 4.2Å; K301-F303 PolarHBondContact O-N 3.02Å; K301-F303 VanDerWaalsContact O-N 3.11Å; F303-R322 VanDerWaalsContact CA-O 3.31Å; F303-R322 WeakPolarHBondContact CA-O 3.5Å; F303-R322 HydrophobicContact CB-CB 4.48Å; F303-L326 HydrophobicContact CB-CD1 4.12Å; F303-L326 HydrophobicContact CD1-CD1 4.34Å; F303-L326 HydrophobicContact CD2-CB 3.68Å; F303-L326 HydrophobicContact CD2-CD1 3.98Å; F303-L326 HydrophobicContact CD2-CG 4.16Å; F303-L326 HydrophobicContact CE2-CB 3.83Å; F303-L326 HydrophobicContact CG-CB 4.44Å; F303-L326 HydrophobicContact CG-CD1 3.88Å; F303-L326 HydrophobicContact CG-CG 4.5Å; F303-T328 HydrophobicContact CE2-CG2 3.84Å; F303-T328 HydrophobicContact CZ-CG2 3.87Å
304	L	71.7	Confident	58.6	Low	7 Å²	7	67.8 Å²	67.8	4%	0.037	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	126	177.8	-67.1	161.7	0	0	0	111.1	Y95 I313 R322 A324 Y325 L326	Y95-L304 HydrophobicContact CE2-CD1 3.42Å; Y95-L304 VanDerWaalsContact CE2-CD1 3.42Å; Y95-L304 HydrophobicContact CE2-CD2 3.53Å; Y95-L304 HydrophobicContact CE2-CG 4Å; Y95-L304 WeakPolarHBondContact OH-CB 3.42Å; Y95-L304 WeakPolarHBondContact OH-CD1 3.17Å; L304-I313 HydrophobicContact CD2-CD1 3.88Å; L304-R322 PolarHBondContact N-O 3.13Å; L304-A324 PolarHBondContact N-O 2.82Å; L304-A324 VanDerWaalsContact N-O 3.12Å; L304-Y325 HydrophobicContact CB-CD1 4.37Å; L304-Y325 HydrophobicContact CD1-CE1 4.43Å; L304-Y325 CarbonylContact O-C 3.52Å; L304-Y325 WeakPolarHBondContact O-CA 3.46Å; L304-L326 PolarHBondContact O-N 2.96Å
305	S	76.5	Confident	58.7	Low	17 Å²	17	68.8 Å²	68.8	12%	0.119	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	130.8	178.3	-174.9	0	0	0	0	110.5	E292 M307 G308 L326	E292-S305 WeakPolarHBondContact OE2-CB 3.49Å; E292-S305 PolarHBondContact OE2-OG 2.95Å; S305-M307 VanDerWaalsContact C-N 3.29Å; S305-M307 PolarHBondContact O-N 2.8Å; S305-G308 PolarHBondContact O-N 3.18Å; S305-G308 PolarHBondContact OG-N 2.77Å; S305-L326 WeakPolarHBondContact CA-O 3.43Å
306	I	82.1	Confident	59.1	Low	9 Å²	9	68.9 Å²	68.9	5%	0.046	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-42.6	173.8	-71.1	163.7	0	0	0	110.5	F184 T280 H281 G308 L326 F327	F184-I306 HydrophobicContact CB-CD1 4.33Å; F184-I306 HydrophobicContact CD1-CD1 4.47Å; T280-I306 HydrophobicContact CG2-CD1 4.15Å; T280-I306 HydrophobicContact CG2-CG2 3.72Å; H281-I306 PolarHBondContact ND1-O 3.01Å; I306-G308 PolarHBondContact O-N 3.37Å; I306-L326 PolarHBondContact N-O 3.18Å; I306-L326 VanDerWaalsContact N-O 3.16Å; I306-F327 HydrophobicContact CB-CD1 4.32Å; I306-F327 HydrophobicContact CB-CE1 4.18Å; I306-F327 HydrophobicContact CB-CZ 4.36Å; I306-F327 HydrophobicContact CD1-CD2 3.62Å; I306-F327 HydrophobicContact CD1-CE2 3.67Å; I306-F327 HydrophobicContact CD1-CG 4.15Å; I306-F327 HydrophobicContact CD1-CZ 4.21Å; I306-F327 HydrophobicContact CG2-CE1 3.87Å; I306-F327 HydrophobicContact CG2-CE2 4.38Å; I306-F327 HydrophobicContact CG2-CZ 3.82Å
307	M	81.7	Confident	59.5	Low	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	16.5	174.6	-56.1	-50.1	-61	0	0	112.4	L289 H291 E292 S305 F327 T331	L289-M307 HydrophobicContact CB-CE 4.18Å; L289-M307 HydrophobicContact CB-CG 4.32Å; L289-M307 HydrophobicContact CB-SD 4.47Å; H291-M307 CarbonylContact C-O 3.23Å; H291-M307 WeakPolarHBondContact CA-O 3.29Å; E292-M307 PolarHBondContact N-O 3.32Å; S305-M307 VanDerWaalsContact C-N 3.29Å; S305-M307 PolarHBondContact O-N 2.8Å; M307-F327 HydrophobicContact CG-CD1 4.19Å; M307-F327 HydrophobicContact CG-CE1 3.86Å; M307-F327 HydrophobicContact SD-CE1 4.06Å; M307-T331 HydrophobicContact CG-CG2 3.9Å
308	G	72.9	Confident	60	Low	9 Å²	9	58.3 Å²	58.3	9%	0.093	31%	0.305	C	S	.	.	S	Bend	trans	-76.7	175.8	176.8	0	0	0	0	0	112.3	S305 I306 P310	S305-G308 PolarHBondContact O-N 3.18Å; S305-G308 PolarHBondContact OG-N 2.77Å; I306-G308 PolarHBondContact O-N 3.37Å; G308-P310 VanDerWaalsContact C-CD 3.45Å; G308-P310 WeakPolarHBondContact O-CD 3.19Å
309	T	63	Low	60.6	Low	26 Å²	26	62.8 Å²	62.8	16%	0.16	33%	0.328	C	S	.	.			trans	-109	78.1	167.4	43.4	0	0	0	0	108.5	C311 R312	T309-C311 PolarHBondContact O-N 3.19Å; T309-C311 VanDerWaalsContact O-N 3.14Å; T309-R312 PolarHBondContact O-N 2.87Å
310	P	55	Low	61.1	Low	18 Å²	18	67.9 Å²	67.9	12%	0.117	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-61.2	-29.4	-168.1	22.5	-32.9	0	0	0	113.4	Y95 G308 R312 I313	Y95-P310 HydrophobicContact CD1-CB 3.35Å; Y95-P310 HydrophobicContact CD1-CG 3.53Å; Y95-P310 HydrophobicContact CD2-CB 4Å; Y95-P310 HydrophobicContact CE1-CB 3.11Å; Y95-P310 HydrophobicContact CE1-CG 3.27Å; Y95-P310 HydrophobicContact CE2-CB 3.78Å; Y95-P310 HydrophobicContact CG-CB 3.75Å; Y95-P310 HydrophobicContact CG-CG 4.39Å; G308-P310 VanDerWaalsContact C-CD 3.45Å; G308-P310 WeakPolarHBondContact O-CD 3.19Å; P310-R312 PolarHBondContact O-N 3.41Å; P310-I313 WeakPolarHBondContact O-CB 3.1Å; P310-I313 WeakPolarHBondContact O-CG1 3.12Å; P310-I313 PolarHBondContact O-N 2.67Å
311	C	55.8	Low	61.5	Low	11 Å²	11	61.1 Å²	61.1	7%	0.074	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-70.5	-14.2	177.7	-54.4	0	0	0	0	114.6	C99 T113 Y114 V115 T309 I313	C99-C311 VanDerWaalsContact CA-SG 3.57Å; C99-C311 HydrophobicContact CB-CB 3.65Å; C99-C311 WeakPolarHBondContact CB-SG 3.21Å; C99-C311 WeakPolarHBondContact SG-CA 3.04Å; C99-C311 WeakPolarHBondContact SG-CB 3.45Å; C99-C311 CovalentContact SG-SG 2.01Å; C99-C311 PolarHBondContact SG-SG 3.46Å; T113-C311 VanDerWaalsContact C-CB 3.47Å; T113-C311 CarbonylContact O-C 3.57Å; T113-C311 WeakPolarHBondContact O-CB 3.24Å; T113-C311 PolarHBondContact OG1-O 3.06Å; Y114-C311 VanDerWaalsContact C-SG 3.55Å; Y114-C311 VanDerWaalsContact CA-CB 3.46Å; V115-C311 WeakPolarHBondContact CG2-SG 3.24Å; V115-C311 PolarHBondContact N-SG 3.37Å; T309-C311 PolarHBondContact O-N 3.19Å; T309-C311 VanDerWaalsContact O-N 3.14Å; C311-I313 VanDerWaalsContact C-N 3.32Å
312	R	55	Low	61.5	Low	163 Å²	163	62 Å²	62	62%	0.615	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-85.5	-0.3	174.3	-74.4	-176.2	162.5	151.7	-1.8	113.8	T309 P310 N314	T309-R312 PolarHBondContact O-N 2.87Å; P310-R312 PolarHBondContact O-N 3.41Å; R312-N314 PolarHBondContact O-N 2.89Å
313	I	53.4	Low	61.4	Low	34 Å²	34	61.4 Å²	61.4	17%	0.174	30%	0.302	C	S	.	.	S	Bend	trans	-81	110.5	-178.5	-57.8	173.4	0	0	0	109.7	L304 P310 C311 R317 R318 Y321	L304-I313 HydrophobicContact CD2-CD1 3.88Å; P310-I313 WeakPolarHBondContact O-CB 3.1Å; P310-I313 WeakPolarHBondContact O-CG1 3.12Å; P310-I313 PolarHBondContact O-N 2.67Å; C311-I313 VanDerWaalsContact C-N 3.32Å; I313-R317 HydrophobicContact CG2-CB 4.39Å; I313-R318 HydrophobicContact CG2-CG 4.29Å; I313-Y321 HydrophobicContact CD1-CE2 4.43Å; I313-Y321 HydrophobicContact CG2-CD2 4.12Å; I313-Y321 HydrophobicContact CG2-CE2 3.55Å
314	N	51	Low	61.3	Low	119 Å²	119	59.4 Å²	59.4	64%	0.636	29%	0.294	S	S	*	.			trans	-52.6	137.6	175.3	-74.8	-6.6	0	0	0	112.4	R312 A316 R317	R312-N314 PolarHBondContact O-N 2.89Å; N314-A316 VanDerWaalsContact C-N 3.26Å; N314-A316 PolarHBondContact O-N 3.07Å; N314-A316 VanDerWaalsContact O-N 3.08Å; N314-R317 PolarHBondContact O-N 2.57Å
315	N	53	Low	61.6	Low	92 Å²	92	60 Å²	60	49%	0.492	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-46.5	-43.2	-177.5	-74.4	-7.1	0	0	0	114	R317 R318	N315-R317 PolarHBondContact O-N 2.85Å; N315-R317 VanDerWaalsContact O-N 3.14Å; N315-R318 WeakPolarHBondContact O-CB 3.49Å; N315-R318 PolarHBondContact O-N 2.82Å; N315-R318 VanDerWaalsContact O-N 3.1Å; N315-R318 PolarHBondContact OD1-NE 2.65Å; N315-R318 PolarHBondContact OD1-NH1 3.43Å; N315-R318 VanDerWaalsContact OD1-NH1 3.1Å; N315-R318 PolarHBondContact OD1-NH2 3.31Å
316	A	50.2	Low	61.7	Low	103 Å²	103	62.1 Å²	62.1	85%	0.851	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-63.4	-19.9	-178.2	0	0	0	0	0	114.9	N314	N314-A316 VanDerWaalsContact C-N 3.26Å; N314-A316 PolarHBondContact O-N 3.07Å; N314-A316 VanDerWaalsContact O-N 3.08Å
317	R	55.4	Low	61.7	Low	136 Å²	136	61.9 Å²	61.9	51%	0.513	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-95.4	-10.2	177.3	-66.2	-173	-179.9	-170.3	-0.4	113.3	I313 N314 N315 D319 K320 Y321	I313-R317 HydrophobicContact CG2-CB 4.39Å; N314-R317 PolarHBondContact O-N 2.57Å; N315-R317 PolarHBondContact O-N 2.85Å; N315-R317 VanDerWaalsContact O-N 3.14Å; R317-D319 VanDerWaalsContact C-N 3.35Å; R317-D319 PolarHBondContact O-N 2.64Å; R317-K320 PolarHBondContact O-N 3.21Å; R317-K320 VanDerWaalsContact O-N 3.15Å; R317-Y321 HydrophobicContact CB-CE2 3.88Å; R317-Y321 WeakPolarHBondContact O-CD2 3.25Å; R317-Y321 WeakPolarHBondContact O-CE2 3.48Å
318	R	55.1	Low	61.5	Low	43 Å²	43	62.2 Å²	62.2	16%	0.162	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-34.7	-170.7	-77.4	-176.5	175.3	172.5	-2.4	114.2	N93 E96 I313 N315 K320	N93-R318 PolarHBondContact ND2-O 2.04Å; E96-R318 VanDerWaalsContact CD-NH1 3.29Å; E96-R318 IonicContact OE1-CZ 3.97Å; E96-R318 IonicContact OE1-NH1 3.31Å; E96-R318 PolarHBondContact OE1-NH1 2.85Å; E96-R318 IonicContact OE1-NH2 2.96Å; E96-R318 PolarHBondContact OE1-NH2 2.98Å; I313-R318 HydrophobicContact CG2-CG 4.29Å; N315-R318 WeakPolarHBondContact O-CB 3.49Å; N315-R318 PolarHBondContact O-N 2.82Å; N315-R318 VanDerWaalsContact O-N 3.1Å; N315-R318 PolarHBondContact OD1-NE 2.65Å; N315-R318 PolarHBondContact OD1-NH1 3.43Å; N315-R318 VanDerWaalsContact OD1-NH1 3.1Å; N315-R318 PolarHBondContact OD1-NH2 3.31Å; R318-K320 PolarHBondContact O-N 3.32Å
319	D	57.4	Low	61.5	Low	143 Å²	143	67.4 Å²	67.4	77%	0.765	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.2	-179.9	-70.5	-32.2	0	0	0	113.4	R317	R317-D319 VanDerWaalsContact C-N 3.35Å; R317-D319 PolarHBondContact O-N 2.64Å
320	K	57.7	Low	62	Low	166 Å²	166	67.6 Å²	67.6	72%	0.722	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-27.5	-177.4	-161.2	174.8	-179.7	-178.6	0	113.3	R317 R318	R317-K320 PolarHBondContact O-N 3.21Å; R317-K320 VanDerWaalsContact O-N 3.15Å; R318-K320 PolarHBondContact O-N 3.32Å
321	Y	58.6	Low	63.2	Low	42 Å²	42	66.7 Å²	66.7	17%	0.165	32%	0.324	C	S	.	.	S	Bend	trans	-74.8	130.4	-179.3	-66.9	-80.7	0	0	0	111.6	K301 I313 R317 R323	K301-Y321 WeakPolarHBondContact O-CD1 3.46Å; K301-Y321 WeakPolarHBondContact O-CE1 3.23Å; I313-Y321 HydrophobicContact CD1-CE2 4.43Å; I313-Y321 HydrophobicContact CG2-CD2 4.12Å; I313-Y321 HydrophobicContact CG2-CE2 3.55Å; R317-Y321 HydrophobicContact CB-CE2 3.88Å; R317-Y321 WeakPolarHBondContact O-CD2 3.25Å; R317-Y321 WeakPolarHBondContact O-CE2 3.48Å; Y321-R323 PolarHBondContact O-N 3.09Å
322	R	56.7	Low	64.4	Low	58 Å²	58	69 Å²	69	22%	0.219	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	132.6	160.7	-56.4	171.2	-171.2	-158.8	-2.7	107.8	E64 R65 D302 F303 L304 A324	E64-R322 VanDerWaalsContact CD-NH1 3.32Å; E64-R322 IonicContact OE1-CZ 3.49Å; E64-R322 IonicContact OE1-NH1 3.98Å; E64-R322 PolarHBondContact OE1-NH1 3.15Å; R65-R322 HydrophobicContact CB-CB 4.43Å; R65-R322 HydrophobicContact CB-CG 4.44Å; R65-R322 HydrophobicContact CG-CB 4.4Å; R65-R322 HydrophobicContact CG-CG 3.92Å; D302-R322 HydrophobicContact CB-CG 4.14Å; D302-R322 WeakPolarHBondContact O-CA 3.47Å; D302-R322 WeakPolarHBondContact O-CB 3.47Å; D302-R322 WeakPolarHBondContact O-CD 3.09Å; D302-R322 WeakPolarHBondContact O-CG 3.45Å; D302-R322 PolarHBondContact O-N 2.9Å; D302-R322 IonicContact OD2-CZ 2.9Å; D302-R322 VanDerWaalsContact OD2-CZ 3.31Å; D302-R322 IonicContact OD2-NE 3.71Å; D302-R322 PolarHBondContact OD2-NE 3.26Å; D302-R322 IonicContact OD2-NH2 3.66Å; D302-R322 PolarHBondContact OD2-NH2 2.86Å; F303-R322 VanDerWaalsContact CA-O 3.31Å; F303-R322 WeakPolarHBondContact CA-O 3.5Å; F303-R322 HydrophobicContact CB-CB 4.48Å; L304-R322 PolarHBondContact N-O 3.13Å; R322-A324 PolarHBondContact O-N 2.72Å
323	R	60.6	Low	65.3	Low	46 Å²	46	62.9 Å²	62.9	17%	0.174	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	23.8	-172.1	-50	-173.6	-179.6	95.9	-1	113	R65 N66 V67 N93 Y321	R65-R323 WeakPolarHBondContact O-CB 3.25Å; R65-R323 PolarHBondContact O-N 3.06Å; N66-R323 PolarHBondContact OD1-NH1 3.46Å; V67-R323 WeakPolarHBondContact CG2-O 3.07Å; N93-R323 VanDerWaalsContact OD1-CD 3.31Å; N93-R323 WeakPolarHBondContact OD1-CD 3.48Å; N93-R323 WeakPolarHBondContact OD1-CG 3.4Å; Y321-R323 PolarHBondContact O-N 3.09Å
324	A	65.2	Low	66.3	Low	5 Å²	5	62.4 Å²	62.4	4%	0.041	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.3	176.2	0	0	0	0	0	109.1	L304 R322 L326	L304-A324 PolarHBondContact N-O 2.82Å; L304-A324 VanDerWaalsContact N-O 3.12Å; R322-A324 PolarHBondContact O-N 2.72Å; A324-L326 HydrophobicContact CB-CG 4.34Å
325	Y	76.8	Confident	67.8	Low	21 Å²	21	56.9 Å²	56.9	8%	0.082	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	111.4	177.2	-65.5	-98.2	0	0	0	108.9	V67 Y95 Q187 L277 L304	V67-Y325 HydrophobicContact CG2-CD2 4.34Å; Y95-Y325 AromaticContact CE1-CE1 3.83Å; Y95-Y325 HydrophobicContact CE1-CE1 3.83Å; Y95-Y325 HydrophobicContact CE2-CE1 4.39Å; Y95-Y325 AromaticContact CZ-CE1 3.45Å; Y95-Y325 VanDerWaalsContact CZ-CE1 3.45Å; Y95-Y325 AromaticContact CZ-CZ 3.87Å; Y95-Y325 WeakPolarHBondContact OH-CE1 3.42Å; Q187-Y325 PolarHBondContact NE2-O 3.29Å; L277-Y325 HydrophobicContact CD1-CD1 4.1Å; L277-Y325 HydrophobicContact CD1-CD2 4.13Å; L277-Y325 HydrophobicContact CD1-CE1 3.68Å; L277-Y325 HydrophobicContact CD1-CE2 3.79Å; L277-Y325 HydrophobicContact CD1-CG 4.29Å; L277-Y325 HydrophobicContact CD2-CD1 3.48Å; L277-Y325 VanDerWaalsContact CD2-CD1 3.48Å; L277-Y325 HydrophobicContact CD2-CD2 3.98Å; L277-Y325 HydrophobicContact CD2-CE1 3.94Å; L277-Y325 HydrophobicContact CD2-CE2 4.45Å; L277-Y325 HydrophobicContact CD2-CG 3.48Å; L277-Y325 VanDerWaalsContact CD2-CG 3.48Å; L277-Y325 HydrophobicContact CG-CD1 4.44Å; L277-Y325 HydrophobicContact CG-CE1 4.45Å; L304-Y325 HydrophobicContact CB-CD1 4.37Å; L304-Y325 HydrophobicContact CD1-CE1 4.43Å; L304-Y325 CarbonylContact O-C 3.52Å; L304-Y325 WeakPolarHBondContact O-CA 3.46Å
326	L	78.5	Confident	68.7	Low	61 Å²	61	53.9 Å²	53.9	32%	0.319	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.5	-174.9	-57.5	173.4	0	0	0	112.7	Q187 F303 L304 S305 I306 A324	Q187-L326 VanDerWaalsContact OE1-CD2 3.31Å; F303-L326 HydrophobicContact CB-CD1 4.12Å; F303-L326 HydrophobicContact CD1-CD1 4.34Å; F303-L326 HydrophobicContact CD2-CB 3.68Å; F303-L326 HydrophobicContact CD2-CD1 3.98Å; F303-L326 HydrophobicContact CD2-CG 4.16Å; F303-L326 HydrophobicContact CE2-CB 3.83Å; F303-L326 HydrophobicContact CG-CB 4.44Å; F303-L326 HydrophobicContact CG-CD1 3.88Å; F303-L326 HydrophobicContact CG-CG 4.5Å; L304-L326 PolarHBondContact O-N 2.96Å; S305-L326 WeakPolarHBondContact CA-O 3.43Å; I306-L326 PolarHBondContact N-O 3.18Å; I306-L326 VanDerWaalsContact N-O 3.16Å; A324-L326 HydrophobicContact CB-CG 4.34Å
327	F	82.5	Confident	69.7	Low	4 Å²	4	56.3 Å²	56.3	2%	0.018	25%	0.251	C	S	.	.			trans	-76.6	131.7	161.2	-75.6	-73.2	0	0	0	109.8	L185 Q187 I188 T280 L289 I306 M307 T331 K332	L185-F327 HydrophobicContact CD2-CE2 4.3Å; L185-F327 HydrophobicContact CD2-CZ 4.34Å; Q187-F327 HydrophobicContact CB-CD2 4.07Å; I188-F327 HydrophobicContact CD1-CE2 4.32Å; I188-F327 HydrophobicContact CD1-CZ 4.3Å; I188-F327 HydrophobicContact CG1-CE2 4.35Å; I188-F327 HydrophobicContact CG2-CB 3.78Å; I188-F327 HydrophobicContact CG2-CD1 4.18Å; I188-F327 HydrophobicContact CG2-CD2 3.64Å; I188-F327 HydrophobicContact CG2-CE2 4.18Å; I188-F327 HydrophobicContact CG2-CG 3.61Å; T280-F327 HydrophobicContact CG2-CE2 3.79Å; T280-F327 HydrophobicContact CG2-CZ 3.72Å; L289-F327 HydrophobicContact CD1-CE1 3.97Å; I306-F327 HydrophobicContact CB-CD1 4.32Å; I306-F327 HydrophobicContact CB-CE1 4.18Å; I306-F327 HydrophobicContact CB-CZ 4.36Å; I306-F327 HydrophobicContact CD1-CD2 3.62Å; I306-F327 HydrophobicContact CD1-CE2 3.67Å; I306-F327 HydrophobicContact CD1-CG 4.15Å; I306-F327 HydrophobicContact CD1-CZ 4.21Å; I306-F327 HydrophobicContact CG2-CE1 3.87Å; I306-F327 HydrophobicContact CG2-CE2 4.38Å; I306-F327 HydrophobicContact CG2-CZ 3.82Å; M307-F327 HydrophobicContact CG-CD1 4.19Å; M307-F327 HydrophobicContact CG-CE1 3.86Å; M307-F327 HydrophobicContact SD-CE1 4.06Å; F327-T331 HydrophobicContact CD1-CG2 3.57Å; F327-T331 HydrophobicContact CE1-CG2 4.12Å; F327-K332 WeakPolarHBondContact O-CE 3.34Å
328	T	78.1	Confident	70.5	Confident	7 Å²	7	50.9 Å²	50.9	4%	0.043	23%	0.232	C	C	.	.			trans	-78.7	161.2	-179.6	77.3	0	0	0	0	111.1	E292 F303 C330 T331 K332	E292-T328 VanDerWaalsContact OE1-CB 3.25Å; E292-T328 WeakPolarHBondContact OE1-CB 3.3Å; E292-T328 WeakPolarHBondContact OE1-CG2 3.32Å; E292-T328 PolarHBondContact OE1-OG1 2.89Å; E292-T328 WeakPolarHBondContact OE2-CG2 3.35Å; F303-T328 HydrophobicContact CE2-CG2 3.84Å; F303-T328 HydrophobicContact CZ-CG2 3.87Å; T328-C330 PolarHBondContact O-N 3.2Å; T328-C330 WeakPolarHBondContact OG1-CB 3.46Å; T328-C330 PolarHBondContact OG1-N 2.8Å; T328-T331 PolarHBondContact O-N 3.47Å; T328-T331 PolarHBondContact OG1-N 3.18Å; T328-T331 VanDerWaalsContact OG1-N 3.15Å; T328-T331 PolarHBondContact OG1-OG1 2.77Å; T328-K332 WeakPolarHBondContact O-CG 3.29Å; T328-K332 PolarHBondContact O-N 2.92Å
329	E	72.6	Confident	71.1	Confident	118 Å²	118	49.1 Å²	49.1	55%	0.551	23%	0.226	S	C	*	.	H	α-helix	trans	-59	-29.1	172.5	-64.4	-53.7	123.8	0	0	112.2	K332 H333	E329-K332 WeakPolarHBondContact OE1-CD 3.48Å; E329-K332 IonicContact OE1-NZ 2.9Å; E329-K332 PolarHBondContact OE1-NZ 3.16Å; E329-H333 WeakPolarHBondContact O-CB 3.19Å; E329-H333 PolarHBondContact O-N 2.94Å; E329-H333 VanDerWaalsContact O-N 3.11Å
330	C	74	Confident	71.5	Confident	29 Å²	29	45.2 Å²	45.2	20%	0.196	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-51.4	173.5	-147.6	0	0	0	0	109.6	R126 C128 T328 K332 H333 E334	R126-C330 PolarHBondContact NE-SG 2.72Å; R126-C330 PolarHBondContact NH1-O 3.16Å; R126-C330 PolarHBondContact NH2-O 3.29Å; R126-C330 PolarHBondContact NH2-SG 3.06Å; C128-C330 HydrophobicContact CB-CB 4.34Å; C128-C330 WeakPolarHBondContact CB-SG 3.3Å; C128-C330 WeakPolarHBondContact SG-CB 3.2Å; C128-C330 CovalentContact SG-SG 2.04Å; C128-C330 PolarHBondContact SG-SG 3.25Å; T328-C330 PolarHBondContact O-N 3.2Å; T328-C330 WeakPolarHBondContact OG1-CB 3.46Å; T328-C330 PolarHBondContact OG1-N 2.8Å; C330-K332 PolarHBondContact O-N 3.18Å; C330-H333 WeakPolarHBondContact O-CB 3.48Å; C330-H333 PolarHBondContact O-N 2.96Å; C330-H333 VanDerWaalsContact O-N 3.13Å; C330-E334 PolarHBondContact O-N 2.89Å; C330-E334 VanDerWaalsContact O-N 3.09Å
331	T	79.1	Confident	71.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-42.8	179.8	-54.2	0	0	0	0	112.4	R126 L289 M307 F327 T328 H333 E334 F335	R126-T331 VanDerWaalsContact NH1-CA 3.34Å; L289-T331 HydrophobicContact CB-CG2 4.15Å; L289-T331 HydrophobicContact CD1-CG2 3.63Å; L289-T331 HydrophobicContact CD2-CG2 4.08Å; L289-T331 HydrophobicContact CG-CG2 4.15Å; M307-T331 HydrophobicContact CG-CG2 3.9Å; F327-T331 HydrophobicContact CD1-CG2 3.57Å; F327-T331 HydrophobicContact CE1-CG2 4.12Å; T328-T331 PolarHBondContact O-N 3.47Å; T328-T331 PolarHBondContact OG1-N 3.18Å; T328-T331 VanDerWaalsContact OG1-N 3.15Å; T328-T331 PolarHBondContact OG1-OG1 2.77Å; T331-H333 VanDerWaalsContact C-N 3.26Å; T331-H333 PolarHBondContact O-N 2.02Å; T331-E334 PolarHBondContact O-N 3.39Å; T331-E334 VanDerWaalsContact O-N 3.16Å; T331-F335 PolarHBondContact O-N 3.03Å
332	K	81.7	Confident	72.1	Confident	58 Å²	58	42.2 Å²	42.2	25%	0.252	20%	0.204	S	C	.	.	H	α-helix	trans	-57	-39	173.8	-70	172.4	-170.1	176	0	112.6	Q187 I188 F327 T328 E329 C330 T336	Q187-K332 VanDerWaalsContact O-CE 3.3Å; Q187-K332 WeakPolarHBondContact O-CE 3.37Å; I188-K332 HydrophobicContact CG2-CG 4.02Å; F327-K332 WeakPolarHBondContact O-CE 3.34Å; T328-K332 WeakPolarHBondContact O-CG 3.29Å; T328-K332 PolarHBondContact O-N 2.92Å; E329-K332 WeakPolarHBondContact OE1-CD 3.48Å; E329-K332 IonicContact OE1-NZ 2.9Å; E329-K332 PolarHBondContact OE1-NZ 3.16Å; C330-K332 PolarHBondContact O-N 3.18Å; K332-T336 PolarHBondContact O-N 3Å; K332-T336 PolarHBondContact O-OG1 3.47Å
333	H	73.1	Confident	72.6	Confident	36 Å²	36	47.1 Å²	47.1	17%	0.167	22%	0.222	C	C	.	.	H	α-helix	trans	-69.6	-39.5	178	-172.5	74.7	0	0	0	112.6	I131 Y139 E329 C330 T331 T336 R337	I131-H333 HydrophobicContact CD1-CB 4.41Å; I131-H333 WeakPolarHBondContact CD1-CD2 3.29Å; Y139-H333 AromaticContact CE1-CE1 3.41Å; Y139-H333 VanDerWaalsContact CE1-CE1 3.41Å; Y139-H333 WeakPolarHBondContact CE1-CE1 3.06Å; Y139-H333 AromaticContact CE1-ND1 3.8Å; Y139-H333 AromaticContact CZ-CE1 3.37Å; Y139-H333 PolarHBondContact OH-CE1 3.25Å; E329-H333 WeakPolarHBondContact O-CB 3.19Å; E329-H333 PolarHBondContact O-N 2.94Å; E329-H333 VanDerWaalsContact O-N 3.11Å; C330-H333 WeakPolarHBondContact O-CB 3.48Å; C330-H333 PolarHBondContact O-N 2.96Å; C330-H333 VanDerWaalsContact O-N 3.13Å; T331-H333 VanDerWaalsContact C-N 3.26Å; T331-H333 PolarHBondContact O-N 2.02Å; H333-T336 PolarHBondContact O-N 2.82Å; H333-R337 WeakPolarHBondContact O-CG 3.42Å; H333-R337 PolarHBondContact O-N 3.3Å
334	E	75.1	Confident	73.4	Confident	23 Å²	23	45 Å²	45	11%	0.107	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-43.6	174.9	-173.9	166.2	-146.6	0	0	111.3	R126 L289 R290 C330 T331 T336 R337 L338	R126-E334 IonicContact CZ-OE2 3.91Å; R126-E334 IonicContact NE-OE2 3.56Å; R126-E334 IonicContact NH1-OE2 4Å; R126-E334 PolarHBondContact NH1-OE2 2.62Å; R126-E334 IonicContact NH2-OE2 3.07Å; L289-E334 HydrophobicContact CD2-CB 4.29Å; L289-E334 HydrophobicContact CD2-CG 4.27Å; R290-E334 IonicContact CZ-OE1 2.59Å; R290-E334 IonicContact NH1-OE1 2.99Å; R290-E334 PolarHBondContact NH1-OE1 3.16Å; C330-E334 PolarHBondContact O-N 2.89Å; C330-E334 VanDerWaalsContact O-N 3.09Å; T331-E334 PolarHBondContact O-N 3.39Å; T331-E334 VanDerWaalsContact O-N 3.16Å; E334-T336 VanDerWaalsContact C-N 3.26Å; E334-T336 PolarHBondContact O-N 3.27Å; E334-R337 WeakPolarHBondContact O-CB 3.22Å; E334-R337 PolarHBondContact O-N 2.89Å; E334-L338 PolarHBondContact O-N 3.41Å
335	F	82.5	Confident	74	Confident	3 Å²	3	48.9 Å²	48.9	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-56	-43.7	171.8	-173.5	-124.8	0	0	0	111.4	I188 V190 L287 L289 T331 R337 L338 L339 L347	I188-F335 HydrophobicContact CB-CD1 3.99Å; I188-F335 HydrophobicContact CB-CE1 4.29Å; I188-F335 HydrophobicContact CD1-CD1 4.26Å; I188-F335 HydrophobicContact CD1-CE1 4.27Å; I188-F335 HydrophobicContact CD1-CG 4.4Å; I188-F335 HydrophobicContact CD1-CZ 4.44Å; I188-F335 HydrophobicContact CG1-CD1 4.49Å; I188-F335 HydrophobicContact CG1-CE1 4.43Å; I188-F335 VanDerWaalsContact O-CE1 3.29Å; I188-F335 WeakPolarHBondContact O-CE1 3.04Å; V190-F335 HydrophobicContact CG2-CE1 3.71Å; V190-F335 HydrophobicContact CG2-CE2 4.46Å; V190-F335 HydrophobicContact CG2-CZ 3.44Å; V190-F335 VanDerWaalsContact CG2-CZ 3.44Å; L287-F335 HydrophobicContact CB-CD2 4.36Å; L287-F335 HydrophobicContact CB-CE2 4.27Å; L287-F335 HydrophobicContact CD1-CD2 4.33Å; L287-F335 HydrophobicContact CD1-CE2 3.81Å; L287-F335 HydrophobicContact CD1-CZ 4.42Å; L287-F335 HydrophobicContact CD2-CE2 4.09Å; L287-F335 HydrophobicContact CG-CE2 4.29Å; L289-F335 HydrophobicContact CD2-CB 3.77Å; L289-F335 HydrophobicContact CD2-CD2 4.38Å; T331-F335 PolarHBondContact O-N 3.03Å; F335-R337 VanDerWaalsContact C-N 3.27Å; F335-R337 PolarHBondContact O-N 2.72Å; F335-L338 HydrophobicContact CD2-CD2 4.34Å; F335-L338 HydrophobicContact CE2-CD2 4.24Å; F335-L338 WeakPolarHBondContact O-CB 3.48Å; F335-L338 PolarHBondContact O-N 2.96Å; F335-L338 VanDerWaalsContact O-N 3.15Å; F335-L339 HydrophobicContact CD1-CD1 3.95Å; F335-L339 HydrophobicContact CE1-CD1 3.69Å; F335-L339 HydrophobicContact CE1-CD2 4.44Å; F335-L339 HydrophobicContact CE1-CG 4.27Å; F335-L339 HydrophobicContact CE2-CD2 4.29Å; F335-L339 HydrophobicContact CE2-CG 4.35Å; F335-L339 HydrophobicContact CZ-CD1 4.04Å; F335-L339 HydrophobicContact CZ-CD2 3.96Å; F335-L339 HydrophobicContact CZ-CG 4.15Å; F335-L339 WeakPolarHBondContact O-CG 3.47Å; F335-L339 PolarHBondContact O-N 2.49Å; F335-L347 HydrophobicContact CZ-CD1 4.41Å
336	T	72.4	Confident	74.2	Confident	30 Å²	30	49.2 Å²	49.2	18%	0.184	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-30.1	177.5	-41.6	0	0	0	0	112.8	Y139 K332 H333 E334 N340	Y139-T336 HydrophobicContact CD1-CG2 3.43Å; Y139-T336 VanDerWaalsContact CD1-CG2 3.43Å; Y139-T336 HydrophobicContact CE1-CG2 4.06Å; Y139-T336 HydrophobicContact CG-CG2 4.44Å; K332-T336 PolarHBondContact O-N 3Å; K332-T336 PolarHBondContact O-OG1 3.47Å; H333-T336 PolarHBondContact O-N 2.82Å; E334-T336 VanDerWaalsContact C-N 3.26Å; E334-T336 PolarHBondContact O-N 3.27Å; T336-N340 PolarHBondContact O-N 3.36Å; T336-N340 PolarHBondContact O-ND2 3.03Å
337	R	71	Confident	74.5	Confident	153 Å²	153	46.3 Å²	46.3	58%	0.577	23%	0.225	S	C	*	.	H	α-helix	trans	-70.4	-38.4	173.8	-67.6	177.2	91.5	164.6	3.8	111.6	Y139 H333 E334 F335 N340 S341	Y139-R337 HydrophobicContact CE1-CG 4.43Å; H333-R337 WeakPolarHBondContact O-CG 3.42Å; H333-R337 PolarHBondContact O-N 3.3Å; E334-R337 WeakPolarHBondContact O-CB 3.22Å; E334-R337 PolarHBondContact O-N 2.89Å; F335-R337 VanDerWaalsContact C-N 3.27Å; F335-R337 PolarHBondContact O-N 2.72Å; R337-N340 PolarHBondContact O-N 3.31Å; R337-S341 PolarHBondContact O-N 3.1Å
338	L	71.3	Confident	74.4	Confident	23 Å²	23	49.2 Å²	49.2	12%	0.12	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-47.1	173.3	-176.7	110.3	0	0	0	111.1	V255 L287 E334 F335 N340 S341 A344	V255-L338 HydrophobicContact CG1-CD2 4.4Å; L287-L338 WeakPolarHBondContact O-CD1 3.41Å; L287-L338 WeakPolarHBondContact O-CD2 3.34Å; E334-L338 PolarHBondContact O-N 3.41Å; F335-L338 HydrophobicContact CD2-CD2 4.34Å; F335-L338 HydrophobicContact CE2-CD2 4.24Å; F335-L338 WeakPolarHBondContact O-CB 3.48Å; F335-L338 PolarHBondContact O-N 2.96Å; F335-L338 VanDerWaalsContact O-N 3.15Å; L338-N340 PolarHBondContact O-N 3.1Å; L338-S341 WeakPolarHBondContact O-CB 3.1Å; L338-S341 PolarHBondContact O-N 3.04Å; L338-S341 PolarHBondContact O-OG 3.41Å; L338-A344 HydrophobicContact CD2-CB 3.7Å
339	L	69.3	Low	74	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-31.1	177.2	-64.9	169.1	0	0	0	113.1	L142 F335 S341 A344 F348	L142-L339 HydrophobicContact CD1-CB 4.39Å; F335-L339 HydrophobicContact CD1-CD1 3.95Å; F335-L339 HydrophobicContact CE1-CD1 3.69Å; F335-L339 HydrophobicContact CE1-CD2 4.44Å; F335-L339 HydrophobicContact CE1-CG 4.27Å; F335-L339 HydrophobicContact CE2-CD2 4.29Å; F335-L339 HydrophobicContact CE2-CG 4.35Å; F335-L339 HydrophobicContact CZ-CD1 4.04Å; F335-L339 HydrophobicContact CZ-CD2 3.96Å; F335-L339 HydrophobicContact CZ-CG 4.15Å; F335-L339 WeakPolarHBondContact O-CG 3.47Å; F335-L339 PolarHBondContact O-N 2.49Å; L339-S341 VanDerWaalsContact C-N 3.26Å; L339-S341 PolarHBondContact O-N 2.92Å; L339-A344 HydrophobicContact CD2-CB 4.01Å; L339-F348 HydrophobicContact CD2-CE2 4.29Å; L339-F348 HydrophobicContact CD2-CZ 4.06Å
340	N	65.1	Low	73.9	Confident	62 Å²	62	50.6 Å²	50.6	33%	0.332	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-5	176.1	-75.5	-63.3	0	0	0	113.7	L142 T336 R337 L338	L142-N340 VanDerWaalsContact CD1-OD1 3.25Å; L142-N340 WeakPolarHBondContact CD1-OD1 3.16Å; T336-N340 PolarHBondContact O-N 3.36Å; T336-N340 PolarHBondContact O-ND2 3.03Å; R337-N340 PolarHBondContact O-N 3.31Å; L338-N340 PolarHBondContact O-N 3.1Å
341	S	64.5	Low	73.4	Confident	52 Å²	52	49.5 Å²	49.5	36%	0.364	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	2.9	-178.9	70.7	0	0	0	0	114	R337 L338 L339 R343	R337-S341 PolarHBondContact O-N 3.1Å; L338-S341 WeakPolarHBondContact O-CB 3.1Å; L338-S341 PolarHBondContact O-N 3.04Å; L338-S341 PolarHBondContact O-OG 3.41Å; L339-S341 VanDerWaalsContact C-N 3.26Å; L339-S341 PolarHBondContact O-N 2.92Å; S341-R343 PolarHBondContact O-N 2.78Å; S341-R343 WeakPolarHBondContact OG-CG 3.14Å
342	N	63.7	Low	72.2	Confident	93 Å²	93	55.6 Å²	55.6	50%	0.497	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	29.6	-173.7	-59.9	8.6	0	0	0	113.5	D345	N342-D345 WeakPolarHBondContact CA-OD1 3.29Å
343	R	67.5	Low	70.5	Confident	161 Å²	161	55.1 Å²	55.1	61%	0.608	27%	0.27	S	S	*	.	S	Bend	trans	-100.6	4.9	178.1	-64.3	-176.6	-170.7	-166.8	-0.1	113.2	V255 S341	V255-R343 WeakPolarHBondContact CG1-O 3.11Å; S341-R343 PolarHBondContact O-N 2.78Å; S341-R343 WeakPolarHBondContact OG-CG 3.14Å
344	A	77.6	Confident	69.3	Low	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.			trans	-138.2	31.1	-170.7	0	0	0	0	0	110.4	V255 C256 L338 L339 C346 L347 F348	V255-A344 HydrophobicContact CG1-CB 4.35Å; C256-A344 VanDerWaalsContact SG-CA 3.57Å; L338-A344 HydrophobicContact CD2-CB 3.7Å; L339-A344 HydrophobicContact CD2-CB 4.01Å; A344-C346 VanDerWaalsContact C-N 3.3Å; A344-L347 HydrophobicContact CB-CD1 3.97Å; A344-L347 HydrophobicContact CB-CG 4.39Å; A344-L347 WeakPolarHBondContact O-CB 3.34Å; A344-L347 PolarHBondContact O-N 2.86Å; A344-F348 WeakPolarHBondContact O-CE2 3.46Å
345	D	77.9	Confident	68.1	Low	88 Å²	88	59 Å²	59	47%	0.471	30%	0.295	S	S	.	.			trans	-71.3	-29.5	-172.1	-70.4	-0.8	0	0	0	111.3	N342 L347 F348	N342-D345 WeakPolarHBondContact CA-OD1 3.29Å; D345-L347 PolarHBondContact O-N 2.9Å; D345-F348 PolarHBondContact O-N 3.21Å
346	C	81.4	Confident	66.5	Low	28 Å²	28	64.3 Å²	64.3	19%	0.189	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-52.9	-42.3	171.5	65.4	0	0	0	0	111	D233 C256 A344 F348 N349	D233-C346 WeakPolarHBondContact OD1-CB 3.38Å; D233-C346 PolarHBondContact OD1-SG 3.33Å; C256-C346 WeakPolarHBondContact CA-SG 3.39Å; C256-C346 HydrophobicContact CB-CB 3.69Å; C256-C346 WeakPolarHBondContact CB-SG 3.46Å; C256-C346 WeakPolarHBondContact SG-CB 3.44Å; C256-C346 PolarHBondContact SG-N 2.87Å; C256-C346 VanDerWaalsContact SG-N 3.39Å; C256-C346 CovalentContact SG-SG 2.02Å; C256-C346 PolarHBondContact SG-SG 2.85Å; A344-C346 VanDerWaalsContact C-N 3.3Å; C346-F348 PolarHBondContact O-N 3Å; C346-N349 PolarHBondContact O-N 2.79Å; C346-N349 PolarHBondContact O-OD1 3.01Å
347	L	84.5	Confident	65.6	Low	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-63.5	-2.5	-175.1	-53.4	179.9	0	0	0	115.9	R147 Y148 L149 V255 L287 F335 A344 D345	R147-L347 CarbonylContact C-O 3.54Å; R147-L347 WeakPolarHBondContact CA-O 3.41Å; R147-L347 HydrophobicContact CB-CB 4.21Å; R147-L347 WeakPolarHBondContact CB-O 3.46Å; Y148-L347 PolarHBondContact N-O 3.03Å; Y148-L347 WeakPolarHBondContact O-CA 3.36Å; Y148-L347 WeakPolarHBondContact O-CB 3.45Å; Y148-L347 VanDerWaalsContact O-CD2 3.22Å; Y148-L347 WeakPolarHBondContact O-CD2 3.37Å; L149-L347 HydrophobicContact CB-CD2 4.12Å; L149-L347 HydrophobicContact CD1-CD2 4.35Å; L149-L347 HydrophobicContact CG-CD2 4.28Å; V255-L347 HydrophobicContact CG2-CD1 4.42Å; V255-L347 HydrophobicContact CG2-CD2 3.97Å; V255-L347 HydrophobicContact CG2-CG 4.28Å; L287-L347 HydrophobicContact CD2-CD1 3.75Å; F335-L347 HydrophobicContact CZ-CD1 4.41Å; A344-L347 HydrophobicContact CB-CD1 3.97Å; A344-L347 HydrophobicContact CB-CG 4.39Å; A344-L347 WeakPolarHBondContact O-CB 3.34Å; A344-L347 PolarHBondContact O-N 2.86Å; D345-L347 PolarHBondContact O-N 2.9Å
348	F	79.3	Confident	65.1	Low	65 Å²	65	63.4 Å²	63.4	29%	0.285	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-99.7	-2.7	177.3	-62.6	-84.2	0	0	0	113.4	L142 R145 R147 L339 A344 D345 C346	L142-F348 HydrophobicContact CD2-CE1 4.24Å; L142-F348 HydrophobicContact CD2-CZ 4.09Å; R145-F348 HydrophobicContact CB-CE1 4.45Å; R147-F348 HydrophobicContact CG-CD1 4.28Å; R147-F348 HydrophobicContact CG-CE1 4Å; R147-F348 HydrophobicContact CG-CZ 4.48Å; L339-F348 HydrophobicContact CD2-CE2 4.29Å; L339-F348 HydrophobicContact CD2-CZ 4.06Å; A344-F348 WeakPolarHBondContact O-CE2 3.46Å; D345-F348 PolarHBondContact O-N 3.21Å; C346-F348 PolarHBondContact O-N 3Å
349	N	71.5	Confident	65.1	Low	61 Å²	61	62.7 Å²	62.7	33%	0.326	33%	0.328	S	S	.	.	S	Bend	trans	-75.2	134.3	166.7	69.3	-14	0	0	0	109.2	Y148 E150 C346	Y148-N349 VanDerWaalsContact CB-O 3.29Å; Y148-N349 WeakPolarHBondContact CB-O 3.35Å; Y148-N349 WeakPolarHBondContact CD2-O 3.37Å; E150-N349 VanDerWaalsContact CD-ND2 3.34Å; E150-N349 PolarHBondContact OE1-ND2 3.45Å; E150-N349 PolarHBondContact OE2-ND2 3.04Å; C346-N349 PolarHBondContact O-N 2.79Å; C346-N349 PolarHBondContact O-OD1 3.01Å
350	M	69.1	Low	65.4	Low	92 Å²	92	66.3 Å²	66.3	45%	0.453	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-94.1	123.1	172.1	-174.4	169.9	-175.7	0	0	107.5	V7 Y148 L352	V7-M350 HydrophobicContact CG1-CE 3.47Å; V7-M350 VanDerWaalsContact CG1-CE 3.47Å; V7-M350 HydrophobicContact CG1-CG 4.43Å; Y148-M350 HydrophobicContact CD1-CG 4.29Å; Y148-M350 HydrophobicContact CD2-CB 3.86Å; Y148-M350 HydrophobicContact CD2-CG 4.15Å; Y148-M350 HydrophobicContact CE1-CE 4.13Å; Y148-M350 HydrophobicContact CE1-CG 3.9Å; Y148-M350 HydrophobicContact CE1-SD 4.29Å; Y148-M350 HydrophobicContact CE2-CB 3.58Å; Y148-M350 HydrophobicContact CE2-CG 3.7Å; Y148-M350 HydrophobicContact CE2-SD 4.17Å; Y148-M350 HydrophobicContact CG-CB 4.47Å; Y148-M350 HydrophobicContact CG-CG 4.42Å; Y148-M350 PolarHBondContact OH-SD 2.69Å; M350-L352 PolarHBondContact O-N 2.74Å
351	P	64.9	Low	66.3	Low	7 Å²	7	63.6 Å²	63.6	5%	0.045	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-62.9	138	177.5	16.8	-23	0	0	0	109.7	P10 E150 S193 Q353	P10-P351 HydrophobicContact CB-CB 4.49Å; P10-P351 HydrophobicContact CG-CB 4.42Å; E150-P351 HydrophobicContact CG-CB 4.41Å; E150-P351 HydrophobicContact CG-CG 4.48Å; S193-P351 WeakPolarHBondContact OG-CG 3.03Å; P351-Q353 PolarHBondContact O-N 3.09Å
352	L	53.6	Low	67	Low	128 Å²	128	62.6 Å²	62.6	67%	0.67	33%	0.33	S	S	*	.	S	Bend	trans	-65.3	19.5	-156	-77	164.7	0	0	0	117.3	M350 E354	M350-L352 PolarHBondContact O-N 2.74Å; L352-E354 PolarHBondContact O-N 2.69Å
353	Q	44.3	Very low	67.1	Low	48 Å²	48	60.8 Å²	60.8	22%	0.224	32%	0.32	C	S	.	.			trans	-96.2	93.3	-178.5	-161.7	-177.5	42.9	0	0	111.7	A9 P10 A11 P351	A9-Q353 VanDerWaalsContact C-OE1 3.27Å; A9-Q353 PolarHBondContact O-NE2 3.45Å; A9-Q353 VanDerWaalsContact O-NE2 3.15Å; A9-Q353 PolarHBondContact O-OE1 3.24Å; P10-Q353 HydrophobicContact CB-CB 3.68Å; A11-Q353 HydrophobicContact CB-CG 3.99Å; P351-Q353 PolarHBondContact O-N 3.09Å
354	E	48.6	Very low	67	Low	61 Å²	61	58.6 Å²	58.6	29%	0.285	32%	0.315	S	S	.	.			trans	171.6	61.4	141.4	-92.9	174.9	-167.6	0	0	109.5	R6 L352 E356 S357 I358	R6-E354 WeakPolarHBondContact CA-OE1 3.37Å; R6-E354 WeakPolarHBondContact CB-OE1 3.33Å; R6-E354 WeakPolarHBondContact CD-OE1 2.8Å; R6-E354 WeakPolarHBondContact CD-OE2 3.27Å; R6-E354 WeakPolarHBondContact CG-OE1 2.89Å; R6-E354 IonicContact NE-OE2 3.47Å; R6-E354 IonicContact NH1-OE2 3.78Å; L352-E354 PolarHBondContact O-N 2.69Å; E354-E356 PolarHBondContact O-N 3.13Å; E354-E356 VanDerWaalsContact O-N 3.1Å; E354-S357 WeakPolarHBondContact CB-OG 3.03Å; E354-S357 PolarHBondContact O-N 3.45Å; E354-S357 PolarHBondContact O-OG 2.78Å; E354-I358 WeakPolarHBondContact O-CG1 3.45Å; E354-I358 PolarHBondContact O-N 3.01Å; E354-I358 VanDerWaalsContact O-N 3.1Å
355	C	51	Low	65.8	Low	79 Å²	79	65.7 Å²	65.7	53%	0.534	35%	0.35	S	S	.	.	H	α-helix	trans	-52.4	-30.5	-178.6	-83.7	0	0	0	0	114.6	S357 I358 D359	C355-S357 VanDerWaalsContact C-N 3.3Å; C355-S357 PolarHBondContact O-N 3.11Å; C355-I358 PolarHBondContact O-N 3.15Å; C355-D359 CarbonylContact O-C 3.57Å; C355-D359 WeakPolarHBondContact O-CA 3.25Å; C355-D359 WeakPolarHBondContact O-CB 3.46Å; C355-D359 PolarHBondContact O-N 3.22Å
356	E	47.4	Very low	65.2	Low	115 Å²	115	64 Å²	64	54%	0.537	35%	0.346	S	S	.	.	H	α-helix	trans	-70.7	-25.3	177.2	-75.6	-166	135.9	0	0	113.8	E354 F364	E354-E356 PolarHBondContact O-N 3.13Å; E354-E356 VanDerWaalsContact O-N 3.1Å; E356-F364 HydrophobicContact CG-CD1 3.97Å; E356-F364 VanDerWaalsContact OE1-CD1 3.23Å; E356-F364 WeakPolarHBondContact OE1-CD1 3.38Å; E356-F364 VanDerWaalsContact OE1-CE1 3.25Å; E356-F364 WeakPolarHBondContact OE1-CE1 3.25Å
357	S	54.3	Low	64.3	Low	81 Å²	81	68 Å²	68	57%	0.566	37%	0.373	S	S	*	.	H	α-helix	trans	-86.9	-26.8	172.6	74.1	0	0	0	0	112.5	E354 C355	E354-S357 WeakPolarHBondContact CB-OG 3.03Å; E354-S357 PolarHBondContact O-N 3.45Å; E354-S357 PolarHBondContact O-OG 2.78Å; C355-S357 VanDerWaalsContact C-N 3.3Å; C355-S357 PolarHBondContact O-N 3.11Å
358	I	60.4	Low	63.7	Low	83 Å²	83	75.2 Å²	75.2	43%	0.426	40%	0.404	S	S	.	.	H	α-helix	trans	-77.2	-34	175.9	-62.5	165.5	0	0	0	110.1	E354 C355	E354-I358 WeakPolarHBondContact O-CG1 3.45Å; E354-I358 PolarHBondContact O-N 3.01Å; E354-I358 VanDerWaalsContact O-N 3.1Å; C355-I358 PolarHBondContact O-N 3.15Å
359	D	71.3	Confident	63.7	Low	8 Å²	8	75.8 Å²	75.8	4%	0.043	41%	0.409	C	S	.	.			trans	-146.3	80.9	-170.6	-165.3	-19.5	0	0	0	111.6	C355 C361 C362 S376 Q377	C355-D359 CarbonylContact O-C 3.57Å; C355-D359 WeakPolarHBondContact O-CA 3.25Å; C355-D359 WeakPolarHBondContact O-CB 3.46Å; C355-D359 PolarHBondContact O-N 3.22Å; D359-C361 PolarHBondContact O-N 3.35Å; D359-C361 WeakPolarHBondContact OD1-CA 3.07Å; D359-C361 VanDerWaalsContact OD1-CB 3.3Å; D359-C361 WeakPolarHBondContact OD1-CB 3.46Å; D359-C361 PolarHBondContact OD1-N 3.3Å; D359-C361 VanDerWaalsContact OD1-N 3.09Å; D359-C362 HydrophobicContact CB-CB 4.25Å; D359-C362 PolarHBondContact O-N 3Å; D359-C362 PolarHBondContact OD1-N 3.03Å; D359-C362 WeakPolarHBondContact OD2-CB 3.43Å; D359-S376 VanDerWaalsContact OD1-CB 3.25Å; D359-S376 WeakPolarHBondContact OD1-CB 3.48Å; D359-S376 WeakPolarHBondContact OD2-CB 3.42Å; D359-S376 PolarHBondContact OD2-OG 3.33Å; D359-Q377 HydrophobicContact CB-CG 4.29Å; D359-Q377 PolarHBondContact OD2-NE2 3.09Å
360	P	75.7	Confident	64.1	Low	80 Å²	80	76.7 Å²	76.7	52%	0.519	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-12.5	176.2	24.6	-33	0	0	0	113.3	K370	P360-K370 WeakPolarHBondContact O-CD 3.28Å; P360-K370 PolarHBondContact O-NZ 2.94Å
361	C	83.9	Confident	64.7	Low	6 Å²	6	84.9 Å²	84.9	4%	0.041	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-18.2	-173.3	-52.9	0	0	0	0	113.3	D359 K370 A373 C375 C384	D359-C361 PolarHBondContact O-N 3.35Å; D359-C361 WeakPolarHBondContact OD1-CA 3.07Å; D359-C361 VanDerWaalsContact OD1-CB 3.3Å; D359-C361 WeakPolarHBondContact OD1-CB 3.46Å; D359-C361 PolarHBondContact OD1-N 3.3Å; D359-C361 VanDerWaalsContact OD1-N 3.09Å; C361-K370 WeakPolarHBondContact O-CB 3.46Å; C361-K370 PolarHBondContact O-N 2.81Å; C361-A373 HydrophobicContact CB-CB 4.14Å; C361-C375 WeakPolarHBondContact CB-O 3.37Å; C361-C384 WeakPolarHBondContact CA-SG 3.13Å; C361-C384 HydrophobicContact CB-CB 3.66Å; C361-C384 WeakPolarHBondContact CB-SG 3.45Å; C361-C384 WeakPolarHBondContact SG-CA 3.47Å; C361-C384 WeakPolarHBondContact SG-CB 3.38Å; C361-C384 CovalentContact SG-SG 2.03Å; C361-C384 PolarHBondContact SG-SG 3.22Å
362	C	78.4	Confident	65.5	Low	31 Å²	31	87.6 Å²	87.6	21%	0.209	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	139.1	176	-168.5	0	0	0	0	111.7	D359 K370	D359-C362 HydrophobicContact CB-CB 4.25Å; D359-C362 PolarHBondContact O-N 3Å; D359-C362 PolarHBondContact OD1-N 3.03Å; D359-C362 WeakPolarHBondContact OD2-CB 3.43Å; C362-K370 VanDerWaalsContact O-CE 3.25Å; C362-K370 WeakPolarHBondContact O-CE 3.37Å
363	D	66.9	Low	67.2	Low	55 Å²	55	82.3 Å²	82.3	29%	0.294	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	105.8	168.5	172.9	25.8	0	0	0	108.9	M365 S366 C367 K368 K370	D363-M365 PolarHBondContact O-N 3.27Å; D363-M365 PolarHBondContact OD1-N 2.93Å; D363-S366 WeakPolarHBondContact CB-OG 3.39Å; D363-S366 VanDerWaalsContact CG-OG 3.27Å; D363-S366 PolarHBondContact O-N 3.22Å; D363-S366 VanDerWaalsContact O-N 3.16Å; D363-S366 PolarHBondContact O-OG 3Å; D363-S366 WeakPolarHBondContact OD2-CB 3.49Å; D363-S366 PolarHBondContact OD2-OG 3.01Å; D363-C367 WeakPolarHBondContact O-CA 3.3Å; D363-C367 PolarHBondContact O-N 3.26Å; D363-K368 WeakPolarHBondContact CB-O 3.39Å; D363-K368 PolarHBondContact N-O 3.03Å; D363-K370 HydrophobicContact CB-CG 3.89Å
364	F	65.6	Low	69.2	Low	115 Å²	115	85.1 Å²	85.1	50%	0.504	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.5	-170.9	73.2	-91.3	0	0	0	113.3	E356 S366	E356-F364 HydrophobicContact CG-CD1 3.97Å; E356-F364 VanDerWaalsContact OE1-CD1 3.23Å; E356-F364 WeakPolarHBondContact OE1-CD1 3.38Å; E356-F364 VanDerWaalsContact OE1-CE1 3.25Å; E356-F364 WeakPolarHBondContact OE1-CE1 3.25Å; F364-S366 VanDerWaalsContact C-N 3.29Å; F364-S366 PolarHBondContact O-N 2.63Å
365	M	51.1	Low	70.9	Confident	149 Å²	149	82.6 Å²	82.6	73%	0.734	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-34	178.8	-83	-67.7	-47.4	0	0	111.8	D363	D363-M365 PolarHBondContact O-N 3.27Å; D363-M365 PolarHBondContact OD1-N 2.93Å
366	S	65.9	Low	72.4	Confident	53 Å²	53	80.8 Å²	80.8	37%	0.371	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-9.8	-175	63.9	0	0	0	0	113.7	D363 F364 K368	D363-S366 WeakPolarHBondContact CB-OG 3.39Å; D363-S366 VanDerWaalsContact CG-OG 3.27Å; D363-S366 PolarHBondContact O-N 3.22Å; D363-S366 VanDerWaalsContact O-N 3.16Å; D363-S366 PolarHBondContact O-OG 3Å; D363-S366 WeakPolarHBondContact OD2-CB 3.49Å; D363-S366 PolarHBondContact OD2-OG 3.01Å; F364-S366 VanDerWaalsContact C-N 3.29Å; F364-S366 PolarHBondContact O-N 2.63Å; S366-K368 PolarHBondContact O-N 3.03Å; S366-K368 PolarHBondContact OG-N 2.81Å
367	C	62.3	Low	73.7	Confident	112 Å²	112	80.8 Å²	80.8	76%	0.757	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	29.9	-169	-67.5	0	0	0	0	112.7	D363	D363-C367 WeakPolarHBondContact O-CA 3.3Å; D363-C367 PolarHBondContact O-N 3.26Å
368	K	72.9	Confident	74.7	Confident	150 Å²	150	79.1 Å²	79.1	65%	0.652	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	159.8	178.2	-69	179	-178.4	-177.2	0	110.2	D363 S366 K370	D363-K368 WeakPolarHBondContact CB-O 3.39Å; D363-K368 PolarHBondContact N-O 3.03Å; S366-K368 PolarHBondContact O-N 3.03Å; S366-K368 PolarHBondContact OG-N 2.81Å; K368-K370 PolarHBondContact O-N 3.03Å
369	L	78.9	Confident	75.6	Confident	77 Å²	77	78.9 Å²	78.9	40%	0.403	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	134.6	170.1	-71.2	174.2	0	0	0	110.4	A373 S376	L369-A373 HydrophobicContact CB-CB 4.15Å; L369-A373 HydrophobicContact CD2-CB 4.1Å; L369-S376 VanDerWaalsContact CD2-CB 3.5Å
370	K	80.4	Confident	76.3	Confident	80 Å²	80	80.4 Å²	80.4	35%	0.348	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-56.7	151	169.4	-75.8	176.5	-177.7	161.1	0	109.3	P360 C361 C362 D363 K368 G372 A373	P360-K370 WeakPolarHBondContact O-CD 3.28Å; P360-K370 PolarHBondContact O-NZ 2.94Å; C361-K370 WeakPolarHBondContact O-CB 3.46Å; C361-K370 PolarHBondContact O-N 2.81Å; C362-K370 VanDerWaalsContact O-CE 3.25Å; C362-K370 WeakPolarHBondContact O-CE 3.37Å; D363-K370 HydrophobicContact CB-CG 3.89Å; K368-K370 PolarHBondContact O-N 3.03Å; K370-G372 PolarHBondContact O-N 3.09Å; K370-A373 WeakPolarHBondContact O-CB 3.48Å; K370-A373 PolarHBondContact O-N 2.03Å
371	R	80.3	Confident	76.9	Confident	264 Å²	264	77.9 Å²	77.9	100%	0.996	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	116.1	-179.7	-162.2	177.3	-174	173.4	2	110.7
372	G	82.8	Confident	76.9	Confident	65 Å²	65	82.7 Å²	82.7	67%	0.67	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	-7.2	-179.1	0	0	0	0	0	115.7	K370	K370-G372 PolarHBondContact O-N 3.09Å
373	A	88.1	Confident	77.4	Confident	17 Å²	17	90.1 Å²	90.1	14%	0.14	48%	0.476	C	S	.	.			trans	-75.7	132	167.1	0	0	0	0	0	109.5	C361 L369 K370 C384	C361-A373 HydrophobicContact CB-CB 4.14Å; L369-A373 HydrophobicContact CB-CB 4.15Å; L369-A373 HydrophobicContact CD2-CB 4.1Å; K370-A373 WeakPolarHBondContact O-CB 3.48Å; K370-A373 PolarHBondContact O-N 2.03Å; A373-C384 WeakPolarHBondContact CA-O 3.25Å; A373-C384 HydrophobicContact CB-CB 3.77Å
374	Q	88	Confident	78.4	Confident	106 Å²	106	88.9 Å²	88.9	50%	0.495	47%	0.471	S	S	.	.	S	Bend	trans	-99.6	-25.5	176.6	-61	177.1	-59.7	0	0	111.8	C384 F386	Q374-C384 PolarHBondContact N-O 2.81Å; Q374-F386 HydrophobicContact CB-CD2 3.78Å; Q374-F386 HydrophobicContact CB-CE2 3.78Å; Q374-F386 VanDerWaalsContact O-CE2 3.25Å; Q374-F386 WeakPolarHBondContact O-CE2 3.3Å; Q374-F386 VanDerWaalsContact O-CZ 3.22Å; Q374-F386 WeakPolarHBondContact O-CZ 2.97Å
375	C	84.2	Confident	79.6	Confident	9 Å²	9	89.4 Å²	89.4	6%	0.061	47%	0.473	C	S	.	.			trans	-141.1	161.8	178.3	61.5	0	0	0	0	108.5	C361 C381 K385 F386	C361-C375 WeakPolarHBondContact CB-O 3.37Å; C375-C381 HydrophobicContact CB-CB 3.72Å; C375-C381 WeakPolarHBondContact CB-SG 3.22Å; C375-C381 WeakPolarHBondContact SG-CA 3.45Å; C375-C381 WeakPolarHBondContact SG-CB 3.34Å; C375-C381 CovalentContact SG-SG 2.03Å; C375-C381 PolarHBondContact SG-SG 3.34Å; C375-K385 PolarHBondContact SG-N 3.29Å; C375-K385 VanDerWaalsContact SG-N 3.41Å; C375-K385 PolarHBondContact SG-O 2.86Å; C375-K385 VanDerWaalsContact SG-O 3.38Å; C375-F386 HydrophobicContact CB-CD1 3.89Å; C375-F386 HydrophobicContact CB-CE1 3.5Å; C375-F386 HydrophobicContact CB-CE2 4.49Å; C375-F386 HydrophobicContact CB-CZ 3.84Å
376	S	80.6	Confident	81.4	Confident	40 Å²	40	88.3 Å²	88.3	28%	0.28	46%	0.464	S	S	.	.	S	Bend	trans	-115.5	-48.9	176.5	102.5	0	0	0	0	112.1	D359 L369	D359-S376 VanDerWaalsContact OD1-CB 3.25Å; D359-S376 WeakPolarHBondContact OD1-CB 3.48Å; D359-S376 WeakPolarHBondContact OD2-CB 3.42Å; D359-S376 PolarHBondContact OD2-OG 3.33Å; L369-S376 VanDerWaalsContact CD2-CB 3.5Å
377	Q	76.2	Confident	82.4	Confident	116 Å²	116	87 Å²	87	54%	0.542	45%	0.454	S	S	.	.	S	Bend	trans	-135.3	170.6	-179.2	-64.8	175.5	44.7	0	0	111.1	D359	D359-Q377 HydrophobicContact CB-CG 4.29Å; D359-Q377 PolarHBondContact OD2-NE2 3.09Å
378	G	75.8	Confident	83.3	Confident	45 Å²	45	86.1 Å²	86.1	46%	0.464	45%	0.449	S	S	.	.	S	Bend	trans	108.7	155.8	178	0	0	0	0	0	112.8	C380 C381	G378-C380 PolarHBondContact O-N 3.26Å; G378-C381 WeakPolarHBondContact O-CB 3.02Å; G378-C381 PolarHBondContact O-N 3.35Å
379	P	79.2	Confident	83.5	Confident	79 Å²	79	84.5 Å²	84.5	51%	0.513	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.2	-174.7	24.2	-31.5	0	0	0	113.8	C381 C393 R394	P379-C381 VanDerWaalsContact C-N 3.28Å; P379-C393 HydrophobicContact CB-CB 3.82Å; P379-C393 WeakPolarHBondContact CB-O 3.47Å; P379-C393 HydrophobicContact CG-CB 3.75Å; P379-R394 HydrophobicContact CG-CB 4.34Å
380	C	85.6	Confident	83.1	Confident	40 Å²	40	84.5 Å²	84.5	27%	0.27	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.7	171.5	-63.1	0	0	0	0	113.8	G378 F386 V387 C393	G378-C380 PolarHBondContact O-N 3.26Å; C380-F386 CarbonylContact O-C 3.53Å; C380-F386 WeakPolarHBondContact O-CA 3.41Å; C380-V387 HydrophobicContact CB-CG2 3.93Å; C380-V387 PolarHBondContact O-N 3.44Å; C380-C393 WeakPolarHBondContact CA-SG 3.32Å; C380-C393 HydrophobicContact CB-CB 3.92Å; C380-C393 WeakPolarHBondContact CB-SG 3.42Å; C380-C393 WeakPolarHBondContact SG-CB 3.47Å; C380-C393 CovalentContact SG-SG 2Å; C380-C393 PolarHBondContact SG-SG 3.32Å
381	C	87	Confident	83.1	Confident	27 Å²	27	86 Å²	86	18%	0.182	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	102.7	-176.2	-166.5	0	0	0	0	110.9	C375 G378 P379	C375-C381 HydrophobicContact CB-CB 3.72Å; C375-C381 WeakPolarHBondContact CB-SG 3.22Å; C375-C381 WeakPolarHBondContact SG-CA 3.45Å; C375-C381 WeakPolarHBondContact SG-CB 3.34Å; C375-C381 CovalentContact SG-SG 2.03Å; C375-C381 PolarHBondContact SG-SG 3.34Å; G378-C381 WeakPolarHBondContact O-CB 3.02Å; G378-C381 PolarHBondContact O-N 3.35Å; P379-C381 VanDerWaalsContact C-N 3.28Å
382	E	85.8	Confident	82.9	Confident	107 Å²	107	78.1 Å²	78.1	50%	0.5	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.6	176.6	-167.6	176.3	170.7	0	0	109.3	C384 K385 V387 K391	E382-C384 VanDerWaalsContact C-N 3.29Å; E382-C384 PolarHBondContact O-N 3.32Å; E382-K385 PolarHBondContact N-O 3.32Å; E382-K385 PolarHBondContact O-N 3.22Å; E382-V387 HydrophobicContact CB-CG1 4.08Å; E382-K391 IonicContact OE2-NZ 2.72Å
383	K	87.2	Confident	82.8	Confident	187 Å²	187	75.8 Å²	75.8	81%	0.813	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	45.7	-179.3	-57.8	173.2	-176	170.2	0	112.8	K385	K383-K385 PolarHBondContact O-N 3Å
384	C	89	Confident	82.5	Confident	29 Å²	29	76.1 Å²	76.1	20%	0.196	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	17.8	-179.9	-44.2	0	0	0	0	115.4	C361 A373 Q374 E382	C361-C384 WeakPolarHBondContact CA-SG 3.13Å; C361-C384 HydrophobicContact CB-CB 3.66Å; C361-C384 WeakPolarHBondContact CB-SG 3.45Å; C361-C384 WeakPolarHBondContact SG-CA 3.47Å; C361-C384 WeakPolarHBondContact SG-CB 3.38Å; C361-C384 CovalentContact SG-SG 2.03Å; C361-C384 PolarHBondContact SG-SG 3.22Å; A373-C384 WeakPolarHBondContact CA-O 3.25Å; A373-C384 HydrophobicContact CB-CB 3.77Å; Q374-C384 PolarHBondContact N-O 2.81Å; E382-C384 VanDerWaalsContact C-N 3.29Å; E382-C384 PolarHBondContact O-N 3.32Å
385	K	90.7	Very high	82.3	Confident	126 Å²	126	75.1 Å²	75.1	55%	0.548	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149.4	173.9	-65.8	-169.5	177.4	-173.1	0	110.9	C375 E382 K383	C375-K385 PolarHBondContact SG-N 3.29Å; C375-K385 VanDerWaalsContact SG-N 3.41Å; C375-K385 PolarHBondContact SG-O 2.86Å; C375-K385 VanDerWaalsContact SG-O 3.38Å; E382-K385 PolarHBondContact N-O 3.32Å; E382-K385 PolarHBondContact O-N 3.22Å; K383-K385 PolarHBondContact O-N 3Å
386	F	87.8	Confident	82.1	Confident	125 Å²	125	76 Å²	76	55%	0.548	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	139.5	170.7	-63.6	-64.8	0	0	0	109.8	Q374 C375 C380	Q374-F386 HydrophobicContact CB-CD2 3.78Å; Q374-F386 HydrophobicContact CB-CE2 3.78Å; Q374-F386 VanDerWaalsContact O-CE2 3.25Å; Q374-F386 WeakPolarHBondContact O-CE2 3.3Å; Q374-F386 VanDerWaalsContact O-CZ 3.22Å; Q374-F386 WeakPolarHBondContact O-CZ 2.97Å; C375-F386 HydrophobicContact CB-CD1 3.89Å; C375-F386 HydrophobicContact CB-CE1 3.5Å; C375-F386 HydrophobicContact CB-CE2 4.49Å; C375-F386 HydrophobicContact CB-CZ 3.84Å; C380-F386 CarbonylContact O-C 3.53Å; C380-F386 WeakPolarHBondContact O-CA 3.41Å
387	V	86.9	Confident	82.2	Confident	27 Å²	27	83 Å²	83	16%	0.164	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-63.4	160.7	167.8	-64.9	0	0	0	0	110.7	C380 E382 K391	C380-V387 HydrophobicContact CB-CG2 3.93Å; C380-V387 PolarHBondContact O-N 3.44Å; E382-V387 HydrophobicContact CB-CG1 4.08Å; V387-K391 HydrophobicContact CB-CB 4.44Å; V387-K391 HydrophobicContact CB-CD 3.69Å; V387-K391 HydrophobicContact CG1-CD 3.92Å; V387-K391 HydrophobicContact CG2-CB 4.06Å; V387-K391 HydrophobicContact CG2-CD 3.98Å; V387-K391 HydrophobicContact CG2-CG 4.44Å
388	S	83	Confident	82.8	Confident	92 Å²	92	79 Å²	79	64%	0.643	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-60.9	142.6	176.8	52.4	0	0	0	0	111.9	K391	S388-K391 WeakPolarHBondContact O-CB 3.36Å; S388-K391 PolarHBondContact O-N 2.94Å
389	S	75.4	Confident	83.4	Confident	116 Å²	116	81.8 Å²	81.8	81%	0.811	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	144	174.5	178.6	0	0	0	0	111.8
390	G	71.7	Confident	83.9	Confident	78 Å²	78	80.6 Å²	80.6	80%	0.804	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-3	-174	0	0	0	0	0	115.5
391	K	78.8	Confident	84.3	Confident	110 Å²	110	78.7 Å²	78.7	48%	0.478	45%	0.447	S	S	.	.			trans	-85.9	119.8	175.2	-167.3	-178.8	-174.7	-178.5	0	110.3	E382 V387 S388 C393	E382-K391 IonicContact OE2-NZ 2.72Å; V387-K391 HydrophobicContact CB-CB 4.44Å; V387-K391 HydrophobicContact CB-CD 3.69Å; V387-K391 HydrophobicContact CG1-CD 3.92Å; V387-K391 HydrophobicContact CG2-CB 4.06Å; V387-K391 HydrophobicContact CG2-CD 3.98Å; V387-K391 HydrophobicContact CG2-CG 4.44Å; S388-K391 WeakPolarHBondContact O-CB 3.36Å; S388-K391 PolarHBondContact O-N 2.94Å; K391-C393 PolarHBondContact O-N 2.87Å; K391-C393 PolarHBondContact O-SG 2.89Å; K391-C393 VanDerWaalsContact O-SG 3.38Å
392	L	76.6	Confident	84.4	Confident	100 Å²	100	78.2 Å²	78.2	52%	0.524	44%	0.442	S	S	.	.			trans	-64.7	116.2	172.4	-162.7	76	0	0	0	110.3	P395 P404 E405	L392-P395 HydrophobicContact CD2-CB 4.29Å; L392-P404 HydrophobicContact CD1-CB 3.6Å; L392-P404 HydrophobicContact CD1-CG 4.47Å; L392-P404 HydrophobicContact CD2-CB 4.31Å; L392-P404 HydrophobicContact CG-CB 4.43Å; L392-E405 WeakPolarHBondContact CA-OE1 3.38Å; L392-E405 HydrophobicContact CD1-CG 3.9Å; L392-E405 WeakPolarHBondContact CD1-OE1 3.41Å; L392-E405 WeakPolarHBondContact CG-OE1 3.33Å
393	C	80.7	Confident	84.5	Confident	15 Å²	15	74.2 Å²	74.2	10%	0.101	42%	0.423	C	S	.	.			trans	-91.3	-49	176.9	-54.1	0	0	0	0	111.1	P379 C380 K391 P395 E405	P379-C393 HydrophobicContact CB-CB 3.82Å; P379-C393 WeakPolarHBondContact CB-O 3.47Å; P379-C393 HydrophobicContact CG-CB 3.75Å; C380-C393 WeakPolarHBondContact CA-SG 3.32Å; C380-C393 HydrophobicContact CB-CB 3.92Å; C380-C393 WeakPolarHBondContact CB-SG 3.42Å; C380-C393 WeakPolarHBondContact SG-CB 3.47Å; C380-C393 CovalentContact SG-SG 2Å; C380-C393 PolarHBondContact SG-SG 3.32Å; K391-C393 PolarHBondContact O-N 2.87Å; K391-C393 PolarHBondContact O-SG 2.89Å; K391-C393 VanDerWaalsContact O-SG 3.38Å; C393-P395 WeakPolarHBondContact O-CD 3.3Å; C393-E405 WeakPolarHBondContact CA-OE1 3.25Å; C393-E405 WeakPolarHBondContact CB-OE2 3.12Å; C393-E405 PolarHBondContact N-OE1 3.07Å
394	R	83.2	Confident	84.2	Confident	24 Å²	24	67.6 Å²	67.6	9%	0.091	40%	0.399	C	S	.	.	S	Bend	trans	-107.8	102.8	179.5	-165.4	-166.3	93.3	101.2	-2.9	109.9	P379 D402 F403 P404 E405 F406	P379-R394 HydrophobicContact CG-CB 4.34Å; R394-D402 IonicContact CZ-OD1 2.98Å; R394-D402 IonicContact CZ-OD2 3.67Å; R394-D402 IonicContact NH1-OD1 2.53Å; R394-D402 IonicContact NH1-OD2 3.72Å; R394-D402 PolarHBondContact NH1-OD2 3.03Å; R394-D402 IonicContact NH2-OD1 3.59Å; R394-D402 PolarHBondContact NH2-OD1 3.18Å; R394-D402 IonicContact NH2-OD2 2.84Å; R394-D402 PolarHBondContact NH2-OD2 2.72Å; R394-D402 VanDerWaalsContact NH2-OD2 3.08Å; R394-F403 PolarHBondContact NH2-O 2.76Å; R394-P404 CarbonylContact O-C 3.45Å; R394-P404 VanDerWaalsContact O-CA 3.24Å; R394-P404 WeakPolarHBondContact O-CA 3.46Å; R394-P404 WeakPolarHBondContact O-CB 3.25Å; R394-E405 PolarHBondContact N-OE1 3.19Å; R394-E405 PolarHBondContact O-N 2.84Å; R394-F406 PolarHBondContact NE-O 3.47Å; R394-F406 VanDerWaalsContact NE-O 3.07Å; R394-F406 PolarHBondContact NH2-O 3.25Å
395	P	82.1	Confident	83.6	Confident	86 Å²	86	68.6 Å²	68.6	56%	0.558	40%	0.401	S	S	*	.			trans	-66.8	142.8	166.3	28.3	-32.3	0	0	0	109.9	L392 C393 K397	L392-P395 HydrophobicContact CD2-CB 4.29Å; C393-P395 WeakPolarHBondContact O-CD 3.3Å; P395-K397 PolarHBondContact O-N 3.42Å
396	G	80.7	Confident	82.6	Confident	28 Å²	28	66 Å²	66	29%	0.289	39%	0.39	S	S	.	.			trans	-58.7	132.5	168.9	0	0	0	0	0	110.2	D398	G396-D398 PolarHBondContact O-N 3.22Å
397	K	83.7	Confident	81.9	Confident	186 Å²	186	68.9 Å²	68.9	81%	0.809	40%	0.398	S	S	*	.	S	Bend	trans	-66.6	-30.2	176.8	-67.9	177	-179	171	0	111.9	P395 D402	P395-K397 PolarHBondContact O-N 3.42Å; K397-D402 HydrophobicContact CB-CB 4.49Å; K397-D402 WeakPolarHBondContact CB-OD2 3.45Å; K397-D402 WeakPolarHBondContact CG-OD2 3.33Å; K397-D402 PolarHBondContact N-OD2 3.4Å
398	D	88.2	Confident	81.7	Confident	32 Å²	32	67.8 Å²	67.8	17%	0.171	39%	0.393	C	S	.	.	S	Bend	trans	-129.7	127.2	176.4	-172.7	-71.2	0	0	0	108.1	G396 D400 C401 D402 G427 C429	G396-D398 PolarHBondContact O-N 3.22Å; D398-D400 VanDerWaalsContact C-N 3.26Å; D398-D400 PolarHBondContact O-N 3.41Å; D398-D400 PolarHBondContact OD1-N 3.14Å; D398-C401 HydrophobicContact CB-CB 4.35Å; D398-C401 PolarHBondContact OD1-N 2.88Å; D398-C401 VanDerWaalsContact OD1-N 3.12Å; D398-D402 HydrophobicContact CB-CB 4.27Å; D398-D402 WeakPolarHBondContact O-CB 3.44Å; D398-D402 PolarHBondContact O-N 3.35Å; D398-G427 WeakPolarHBondContact CB-O 3.4Å; D398-C429 WeakPolarHBondContact OD2-CB 3.49Å; D398-C429 PolarHBondContact OD2-N 3.37Å
399	A	87.4	Confident	82	Confident	104 Å²	104	65.8 Å²	65.8	86%	0.86	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-27.1	-172.6	0	0	0	0	0	113.3
400	D	90.8	Very high	82.7	Confident	53 Å²	53	62.4 Å²	62.4	28%	0.283	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-31.2	-177.3	-77.1	-26.1	0	0	0	112.5	D398 K410 C416 G417	D398-D400 VanDerWaalsContact C-N 3.26Å; D398-D400 PolarHBondContact O-N 3.41Å; D398-D400 PolarHBondContact OD1-N 3.14Å; D400-K410 WeakPolarHBondContact O-CD 3.27Å; D400-K410 WeakPolarHBondContact O-CE 3.5Å; D400-K410 PolarHBondContact O-NZ 2.9Å; D400-C416 HydrophobicContact CB-CB 3.76Å; D400-G417 WeakPolarHBondContact OD2-CA 3.06Å; D400-G417 PolarHBondContact OD2-N 2.03Å
401	C	93.2	Very high	83.7	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.007	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-24.3	-166	-60.7	0	0	0	0	114.7	D398 Y409 K410 C424 G427 C429	D398-C401 HydrophobicContact CB-CB 4.35Å; D398-C401 PolarHBondContact OD1-N 2.88Å; D398-C401 VanDerWaalsContact OD1-N 3.12Å; C401-Y409 CarbonylContact O-C 3.48Å; C401-Y409 WeakPolarHBondContact O-CA 3.35Å; C401-Y409 WeakPolarHBondContact O-CB 3.46Å; C401-K410 PolarHBondContact O-N 3.18Å; C401-C424 VanDerWaalsContact CA-SG 3.55Å; C401-C424 HydrophobicContact CB-CB 3.71Å; C401-C424 WeakPolarHBondContact CB-SG 3.35Å; C401-C424 WeakPolarHBondContact SG-CA 3.39Å; C401-C424 WeakPolarHBondContact SG-CB 3.25Å; C401-C424 CovalentContact SG-SG 2.03Å; C401-C424 PolarHBondContact SG-SG 3.34Å; C401-G427 VanDerWaalsContact CB-C 3.49Å; C401-G427 WeakPolarHBondContact CB-O 3Å; C401-C429 VanDerWaalsContact SG-CA 3.58Å; C401-C429 PolarHBondContact SG-N 2.85Å; C401-C429 VanDerWaalsContact SG-N 3.39Å
402	D	90.2	Very high	84.3	Confident	17 Å²	17	55.1 Å²	55.1	9%	0.091	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-107.1	120	-175	-164.2	26.8	0	0	0	110.7	R394 K397 D398	R394-D402 IonicContact CZ-OD1 2.98Å; R394-D402 IonicContact CZ-OD2 3.67Å; R394-D402 IonicContact NH1-OD1 2.53Å; R394-D402 IonicContact NH1-OD2 3.72Å; R394-D402 PolarHBondContact NH1-OD2 3.03Å; R394-D402 IonicContact NH2-OD1 3.59Å; R394-D402 PolarHBondContact NH2-OD1 3.18Å; R394-D402 IonicContact NH2-OD2 2.84Å; R394-D402 PolarHBondContact NH2-OD2 2.72Å; R394-D402 VanDerWaalsContact NH2-OD2 3.08Å; K397-D402 HydrophobicContact CB-CB 4.49Å; K397-D402 WeakPolarHBondContact CB-OD2 3.45Å; K397-D402 WeakPolarHBondContact CG-OD2 3.33Å; K397-D402 PolarHBondContact N-OD2 3.4Å; D398-D402 HydrophobicContact CB-CB 4.27Å; D398-D402 WeakPolarHBondContact O-CB 3.44Å; D398-D402 PolarHBondContact O-N 3.35Å
403	F	86.6	Confident	85.1	Confident	23 Å²	23	50.4 Å²	50.4	10%	0.101	27%	0.266	C	S	.	.			trans	-77.8	131.3	-177.4	-68	-73.9	0	0	0	111.3	R394 F406 A408 K410 T569 T571	R394-F403 PolarHBondContact NH2-O 2.76Å; F403-F406 VanDerWaalsContact O-O 3.13Å; F403-A408 WeakPolarHBondContact CB-O 3.33Å; F403-A408 WeakPolarHBondContact CD2-O 2.98Å; F403-A408 PolarHBondContact N-O 3.33Å; F403-K410 HydrophobicContact CE1-CG 4.21Å; F403-K410 HydrophobicContact CE2-CB 4.45Å; F403-K410 HydrophobicContact CE2-CG 3.66Å; F403-K410 HydrophobicContact CZ-CD 4.32Å; F403-K410 HydrophobicContact CZ-CG 3.45Å; F403-K410 VanDerWaalsContact CZ-CG 3.45Å; F403-T569 HydrophobicContact CE1-CG2 4.45Å; F403-T569 HydrophobicContact CZ-CG2 3.74Å; F403-T571 HydrophobicContact CD2-CG2 4.1Å; F403-T571 HydrophobicContact CE2-CG2 3.78Å; F403-T571 HydrophobicContact CZ-CG2 4.48Å
404	P	81.9	Confident	85.8	Confident	47 Å²	47	51.2 Å²	51.2	31%	0.305	27%	0.271	S	S	.	.	S	Bend	trans	-59.6	156.8	173.6	24.2	-31.1	0	0	0	112.3	L392 R394 F406	L392-P404 HydrophobicContact CD1-CB 3.6Å; L392-P404 HydrophobicContact CD1-CG 4.47Å; L392-P404 HydrophobicContact CD2-CB 4.31Å; L392-P404 HydrophobicContact CG-CB 4.43Å; R394-P404 CarbonylContact O-C 3.45Å; R394-P404 VanDerWaalsContact O-CA 3.24Å; R394-P404 WeakPolarHBondContact O-CA 3.46Å; R394-P404 WeakPolarHBondContact O-CB 3.25Å; P404-F406 VanDerWaalsContact O-CD2 3.29Å; P404-F406 WeakPolarHBondContact O-CD2 3.48Å; P404-F406 PolarHBondContact O-N 2.9Å
405	E	75.9	Confident	86.3	Confident	51 Å²	51	52 Å²	52	24%	0.238	28%	0.282	C	S	.	.	S	Bend	trans	65.2	-41.6	-175.4	-60.8	-48.9	121	0	0	116.7	L392 C393 R394	L392-E405 WeakPolarHBondContact CA-OE1 3.38Å; L392-E405 HydrophobicContact CD1-CG 3.9Å; L392-E405 WeakPolarHBondContact CD1-OE1 3.41Å; L392-E405 WeakPolarHBondContact CG-OE1 3.33Å; C393-E405 WeakPolarHBondContact CA-OE1 3.25Å; C393-E405 WeakPolarHBondContact CB-OE2 3.12Å; C393-E405 PolarHBondContact N-OE1 3.07Å; R394-E405 PolarHBondContact N-OE1 3.19Å; R394-E405 PolarHBondContact O-N 2.84Å
406	F	70.6	Confident	87	Confident	71 Å²	71	47.9 Å²	47.9	31%	0.311	26%	0.255	S	S	.	.	S	Bend	trans	-97.5	142.1	-171.6	-58.6	-78.8	0	0	0	111.2	R394 F403 P404 A408 N598	R394-F406 PolarHBondContact NE-O 3.47Å; R394-F406 VanDerWaalsContact NE-O 3.07Å; R394-F406 PolarHBondContact NH2-O 3.25Å; F403-F406 VanDerWaalsContact O-O 3.13Å; P404-F406 VanDerWaalsContact O-CD2 3.29Å; P404-F406 WeakPolarHBondContact O-CD2 3.48Å; P404-F406 PolarHBondContact O-N 2.9Å; F406-A408 HydrophobicContact CB-CB 4.04Å; F406-A408 PolarHBondContact O-N 3.47Å; F406-N598 WeakPolarHBondContact CZ-O 3.45Å
407	Y	72.6	Confident	87.5	Confident	185 Å²	185	47 Å²	47	73%	0.725	25%	0.246	S	C	*	.	S	Bend	trans	-75.6	41.6	166.6	-69.3	-81.1	0	0	0	111.3
408	A	81.6	Confident	87.7	Confident	5 Å²	5	46.2 Å²	46.2	4%	0.041	25%	0.251	C	S	.	.			trans	-121.1	148.6	179	0	0	0	0	0	108.3	F403 F406 T571 N572 L573	F403-A408 WeakPolarHBondContact CB-O 3.33Å; F403-A408 WeakPolarHBondContact CD2-O 2.98Å; F403-A408 PolarHBondContact N-O 3.33Å; F406-A408 HydrophobicContact CB-CB 4.04Å; F406-A408 PolarHBondContact O-N 3.47Å; A408-T571 HydrophobicContact CB-CG2 4.11Å; A408-N572 VanDerWaalsContact CA-OD1 3.3Å; A408-N572 WeakPolarHBondContact CA-OD1 3.16Å; A408-L573 HydrophobicContact CB-CD1 4.14Å
409	Y	89.4	Confident	87.7	Confident	49 Å²	49	51 Å²	51	19%	0.192	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-138.4	165.4	-179.6	54.6	-93.8	0	0	0	109.9	C401 N426 G427 T571 N572	C401-Y409 CarbonylContact O-C 3.48Å; C401-Y409 WeakPolarHBondContact O-CA 3.35Å; C401-Y409 WeakPolarHBondContact O-CB 3.46Å; Y409-N426 PolarHBondContact OH-OD1 3.34Å; Y409-G427 VanDerWaalsContact CB-CA 3.46Å; Y409-G427 VanDerWaalsContact CD2-N 3.26Å; Y409-T571 CarbonylContact O-C 3.57Å; Y409-T571 WeakPolarHBondContact O-CA 3.05Å; Y409-N572 HydrophobicContact CD1-CB 4.44Å; Y409-N572 HydrophobicContact CD2-CB 3.85Å; Y409-N572 HydrophobicContact CE1-CB 4.19Å; Y409-N572 VanDerWaalsContact CE1-CG 3.49Å; Y409-N572 VanDerWaalsContact CE1-ND2 3.25Å; Y409-N572 WeakPolarHBondContact CE1-ND2 3.08Å; Y409-N572 HydrophobicContact CE2-CB 3.54Å; Y409-N572 HydrophobicContact CG-CB 4.28Å; Y409-N572 PolarHBondContact N-OD1 3.08Å; Y409-N572 PolarHBondContact O-N 3.47Å; Y409-N572 PolarHBondContact O-OD1 2.91Å
410	K	91.1	Very high	87.8	Confident	46 Å²	46	51.7 Å²	51.7	20%	0.2	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-64.9	140	178	-67.3	-170.6	-171.3	164.1	0	110.4	D400 C401 F403 T414 T569	D400-K410 WeakPolarHBondContact O-CD 3.27Å; D400-K410 WeakPolarHBondContact O-CE 3.5Å; D400-K410 PolarHBondContact O-NZ 2.9Å; C401-K410 PolarHBondContact O-N 3.18Å; F403-K410 HydrophobicContact CE1-CG 4.21Å; F403-K410 HydrophobicContact CE2-CB 4.45Å; F403-K410 HydrophobicContact CE2-CG 3.66Å; F403-K410 HydrophobicContact CZ-CD 4.32Å; F403-K410 HydrophobicContact CZ-CG 3.45Å; F403-K410 VanDerWaalsContact CZ-CG 3.45Å; K410-T414 HydrophobicContact CB-CG2 4.19Å; K410-T414 HydrophobicContact CD-CG2 3.95Å; K410-T569 HydrophobicContact CD-CG2 4.29Å; K410-T569 HydrophobicContact CG-CG2 4.21Å
411	P	92	Very high	87.7	Confident	8 Å²	8	52.2 Å²	52.2	5%	0.052	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-47.2	141	178.8	-31.5	35.3	0	0	0	112.7	G413 T414 L548 V551 C570	P411-G413 PolarHBondContact O-N 3.41Å; P411-T414 VanDerWaalsContact O-CB 3.25Å; P411-T414 WeakPolarHBondContact O-CB 3.23Å; P411-T414 PolarHBondContact O-N 3.06Å; P411-T414 PolarHBondContact O-OG1 3.28Å; P411-L548 HydrophobicContact CB-CD2 3.88Å; P411-V551 HydrophobicContact CB-CB 4.32Å; P411-V551 HydrophobicContact CB-CG2 3.87Å; P411-V551 HydrophobicContact CG-CB 4.15Å; P411-V551 HydrophobicContact CG-CG1 4.1Å; P411-V551 HydrophobicContact CG-CG2 4.05Å; P411-C570 WeakPolarHBondContact CD-O 3.33Å
412	D	92.4	Very high	87.8	Confident	26 Å²	26	56.2 Å²	56.2	14%	0.139	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	136.5	177.1	-66.2	-21.6	0	0	0	110.3	C424 Y425 N426 M547	D412-C424 WeakPolarHBondContact CA-O 3.23Å; D412-Y425 HydrophobicContact CB-CD2 3.99Å; D412-Y425 HydrophobicContact CB-CE2 4.44Å; D412-Y425 VanDerWaalsContact OD1-CA 3.24Å; D412-Y425 WeakPolarHBondContact OD1-CA 3.44Å; D412-N426 PolarHBondContact OD1-N 3.46Å; D412-M547 WeakPolarHBondContact O-CB 3.07Å
413	G	93.4	Very high	88.1	Confident	2 Å²	2	56.3 Å²	56.3	2%	0.021	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	-0.8	-170.3	0	0	0	0	0	114.6	P411 A415 Y423 C424	P411-G413 PolarHBondContact O-N 3.41Å; G413-A415 PolarHBondContact O-N 3.41Å; G413-Y423 WeakPolarHBondContact O-CD1 3.48Å; G413-C424 PolarHBondContact N-O 3.27Å
414	T	94.6	Very high	88.5	Confident	32 Å²	32	55.2 Å²	55.2	20%	0.196	27%	0.272	C	S	.	.			trans	-66.8	131.5	169.8	-59.1	0	0	0	0	110.7	K410 P411 Y423 C424	K410-T414 HydrophobicContact CB-CG2 4.19Å; K410-T414 HydrophobicContact CD-CG2 3.95Å; P411-T414 VanDerWaalsContact O-CB 3.25Å; P411-T414 WeakPolarHBondContact O-CB 3.23Å; P411-T414 PolarHBondContact O-N 3.06Å; P411-T414 PolarHBondContact O-OG1 3.28Å; T414-Y423 CarbonylContact O-C 3.57Å; T414-Y423 WeakPolarHBondContact O-CA 3.41Å; T414-C424 PolarHBondContact O-N 3.5Å
415	A	94.7	Very high	89.1	Confident	39 Å²	39	54.4 Å²	54.4	32%	0.322	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	131.1	-178.3	0	0	0	0	0	113	G413 K420 R422	G413-A415 PolarHBondContact O-N 3.41Å; A415-K420 HydrophobicContact CB-CB 4.17Å; A415-K420 HydrophobicContact CB-CD 4.29Å; A415-K420 WeakPolarHBondContact O-CD 3.46Å; A415-K420 PolarHBondContact O-NZ 2.85Å; A415-R422 CarbonylContact C-O 3.14Å; A415-R422 WeakPolarHBondContact CA-O 3.27Å
416	C	95.1	Very high	89.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	172.7	-175.1	70.1	0	0	0	0	112.5	D400 K420 R422 C429	D400-C416 HydrophobicContact CB-CB 3.76Å; C416-K420 WeakPolarHBondContact O-CA 3.27Å; C416-R422 PolarHBondContact N-O 2.99Å; C416-R422 PolarHBondContact O-N 3.3Å; C416-C429 VanDerWaalsContact C-SG 3.57Å; C416-C429 HydrophobicContact CB-CB 3.76Å; C416-C429 WeakPolarHBondContact CB-SG 3.14Å; C416-C429 WeakPolarHBondContact SG-CA 3.39Å; C416-C429 WeakPolarHBondContact SG-CB 3.22Å; C416-C429 CovalentContact SG-SG 2.03Å; C416-C429 PolarHBondContact SG-SG 3.06Å
417	G	91.2	Very high	90.6	Very high	10 Å²	10	53.7 Å²	53.7	10%	0.103	27%	0.266	C	S	.	.	S	Bend	trans	82.9	165	-173.6	0	0	0	0	0	113.2	D400 N419 K420 C429	D400-G417 WeakPolarHBondContact OD2-CA 3.06Å; D400-G417 PolarHBondContact OD2-N 2.03Å; G417-N419 PolarHBondContact O-N 3.38Å; G417-N419 VanDerWaalsContact O-N 3.12Å; G417-K420 PolarHBondContact O-N 3.28Å; G417-C429 PolarHBondContact N-SG 3.42Å
418	D	88.3	Confident	91.6	Very high	170 Å²	170	48 Å²	48	91%	0.909	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-37.6	-174.6	-58.8	-36.4	0	0	0	113.2
419	N	89.5	Confident	92.2	Very high	133 Å²	133	48.4 Å²	48.4	71%	0.711	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	5.6	-178.3	-65.1	-29.7	0	0	0	113.8	G417 D421	G417-N419 PolarHBondContact O-N 3.38Å; G417-N419 VanDerWaalsContact O-N 3.12Å; N419-D421 HydrophobicContact CB-CB 4.36Å; N419-D421 PolarHBondContact O-N 3.3Å; N419-D421 VanDerWaalsContact O-N 3.17Å
420	K	88.4	Confident	92.4	Very high	118 Å²	118	46.5 Å²	46.5	51%	0.513	24%	0.241	S	C	.	.	S	Bend	trans	52.1	33.9	-173.9	-61.2	-60.8	-170.5	-177	0	113.7	A415 C416 G417	A415-K420 HydrophobicContact CB-CB 4.17Å; A415-K420 HydrophobicContact CB-CD 4.29Å; A415-K420 WeakPolarHBondContact O-CD 3.46Å; A415-K420 PolarHBondContact O-NZ 2.85Å; C416-K420 WeakPolarHBondContact O-CA 3.27Å; G417-K420 PolarHBondContact O-N 3.28Å
421	D	89.8	Confident	92.4	Very high	64 Å²	64	45.8 Å²	45.8	34%	0.342	24%	0.239	S	C	.	.			trans	-102.9	5.4	-175.9	70.1	-31.1	0	0	0	113.4	N419 K529	N419-D421 HydrophobicContact CB-CB 4.36Å; N419-D421 PolarHBondContact O-N 3.3Å; N419-D421 VanDerWaalsContact O-N 3.17Å; D421-K529 WeakPolarHBondContact O-CD 3.45Å; D421-K529 PolarHBondContact O-NZ 3.02Å; D421-K529 VanDerWaalsContact O-NZ 3.11Å
422	R	94.7	Very high	92.3	Very high	84 Å²	84	47 Å²	47	32%	0.317	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	171.2	178.5	-59.6	170.5	-160.9	-179.3	0.5	109.9	A415 C416 D431	A415-R422 CarbonylContact C-O 3.14Å; A415-R422 WeakPolarHBondContact CA-O 3.27Å; C416-R422 PolarHBondContact N-O 2.99Å; C416-R422 PolarHBondContact O-N 3.3Å; R422-D431 IonicContact CZ-OD2 3.81Å; R422-D431 IonicContact NH1-OD2 3.7Å; R422-D431 PolarHBondContact NH1-OD2 3.46Å; R422-D431 IonicContact NH2-OD2 2.76Å
423	Y	96.4	Very high	92.2	Very high	19 Å²	19	47.7 Å²	47.7	8%	0.075	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.4	-179.6	-62	-69	0	0	0	112.1	G413 T414 V430 K529 N533 G534 L535 A544	G413-Y423 WeakPolarHBondContact O-CD1 3.48Å; T414-Y423 CarbonylContact O-C 3.57Å; T414-Y423 WeakPolarHBondContact O-CA 3.41Å; Y423-V430 PolarHBondContact O-N 2.87Å; Y423-K529 HydrophobicContact CD2-CB 4.23Å; Y423-K529 HydrophobicContact CD2-CG 4.47Å; Y423-K529 HydrophobicContact CE2-CB 4.32Å; Y423-K529 HydrophobicContact CE2-CD 4.2Å; Y423-K529 HydrophobicContact CE2-CG 4.06Å; Y423-N533 PolarHBondContact OH-OD1 2.86Å; Y423-N533 VanDerWaalsContact OH-OD1 3.08Å; Y423-G534 WeakPolarHBondContact CE2-O 3.28Å; Y423-L535 HydrophobicContact CD2-CB 4.15Å; Y423-L535 HydrophobicContact CD2-CD2 4.39Å; Y423-L535 HydrophobicContact CG-CD2 4.4Å; Y423-A544 HydrophobicContact CD1-CB 4.26Å; Y423-A544 HydrophobicContact CE1-CB 3.69Å
424	C	95.2	Very high	91.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	133.3	163.4	-63.1	0	0	0	0	108.9	C401 D412 G413 T414 K428	C401-C424 VanDerWaalsContact CA-SG 3.55Å; C401-C424 HydrophobicContact CB-CB 3.71Å; C401-C424 WeakPolarHBondContact CB-SG 3.35Å; C401-C424 WeakPolarHBondContact SG-CA 3.39Å; C401-C424 WeakPolarHBondContact SG-CB 3.25Å; C401-C424 CovalentContact SG-SG 2.03Å; C401-C424 PolarHBondContact SG-SG 3.34Å; D412-C424 WeakPolarHBondContact CA-O 3.23Å; G413-C424 PolarHBondContact N-O 3.27Å; T414-C424 PolarHBondContact O-N 3.5Å; C424-K428 WeakPolarHBondContact CA-O 3.36Å
425	Y	93.9	Very high	91.4	Very high	30 Å²	30	52.3 Å²	52.3	12%	0.118	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	124.1	170	-167.3	-102.1	0	0	0	108.8	D412 G427 K428 D526 G527 L535 E537	D412-Y425 HydrophobicContact CB-CD2 3.99Å; D412-Y425 HydrophobicContact CB-CE2 4.44Å; D412-Y425 VanDerWaalsContact OD1-CA 3.24Å; D412-Y425 WeakPolarHBondContact OD1-CA 3.44Å; Y425-G427 PolarHBondContact O-N 3.49Å; Y425-K428 PolarHBondContact N-O 3.5Å; Y425-K428 PolarHBondContact O-N 2.91Å; Y425-K428 VanDerWaalsContact O-N 3.09Å; Y425-D526 HydrophobicContact CD1-CB 4.06Å; Y425-D526 HydrophobicContact CE1-CB 3.41Å; Y425-D526 VanDerWaalsContact CE1-CB 3.41Å; Y425-G527 VanDerWaalsContact CB-CA 3.42Å; Y425-G527 VanDerWaalsContact CG-CA 3.47Å; Y425-L535 HydrophobicContact CD2-CD1 3.61Å; Y425-L535 HydrophobicContact CE2-CD1 4.19Å; Y425-E537 PolarHBondContact OH-OE1 2.87Å
426	N	89.5	Confident	91	Very high	101 Å²	101	50.5 Å²	50.5	54%	0.54	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	42.6	-174.8	-75.9	-48.2	0	0	0	113	Y409 D412 K428	Y409-N426 PolarHBondContact OH-OD1 3.34Å; D412-N426 PolarHBondContact OD1-N 3.46Å; N426-K428 VanDerWaalsContact C-N 3.3Å; N426-K428 PolarHBondContact O-N 3.2Å
427	G	89.2	Confident	90.7	Very high	7 Å²	7	54.8 Å²	54.8	7%	0.072	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	14.2	178	0	0	0	0	0	116	D398 C401 Y409 Y425	D398-G427 WeakPolarHBondContact CB-O 3.4Å; C401-G427 VanDerWaalsContact CB-C 3.49Å; C401-G427 WeakPolarHBondContact CB-O 3Å; Y409-G427 VanDerWaalsContact CB-CA 3.46Å; Y409-G427 VanDerWaalsContact CD2-N 3.26Å; Y425-G427 PolarHBondContact O-N 3.49Å
428	K	92.5	Very high	90.2	Very high	65 Å²	65	59.1 Å²	59.1	28%	0.283	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.5	174.5	-175.2	-173.9	170.8	-157.7	0	110.9	C424 Y425 N426 V430 E434	C424-K428 WeakPolarHBondContact CA-O 3.36Å; Y425-K428 PolarHBondContact N-O 3.5Å; Y425-K428 PolarHBondContact O-N 2.91Å; Y425-K428 VanDerWaalsContact O-N 3.09Å; N426-K428 VanDerWaalsContact C-N 3.3Å; N426-K428 PolarHBondContact O-N 3.2Å; K428-V430 PolarHBondContact O-N 3.46Å; K428-E434 WeakPolarHBondContact CE-OE2 3.33Å; K428-E434 IonicContact NZ-OE1 3.63Å; K428-E434 IonicContact NZ-OE2 3.25Å; K428-E434 PolarHBondContact NZ-OE2 3.11Å
429	C	94.9	Very high	89.5	Confident	14 Å²	14	54.4 Å²	54.4	10%	0.095	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	106.8	169.3	-172.1	0	0	0	0	109.8	D398 C401 C416 G417 D431	D398-C429 WeakPolarHBondContact OD2-CB 3.49Å; D398-C429 PolarHBondContact OD2-N 3.37Å; C401-C429 VanDerWaalsContact SG-CA 3.58Å; C401-C429 PolarHBondContact SG-N 2.85Å; C401-C429 VanDerWaalsContact SG-N 3.39Å; C416-C429 VanDerWaalsContact C-SG 3.57Å; C416-C429 HydrophobicContact CB-CB 3.76Å; C416-C429 WeakPolarHBondContact CB-SG 3.14Å; C416-C429 WeakPolarHBondContact SG-CA 3.39Å; C416-C429 WeakPolarHBondContact SG-CB 3.22Å; C416-C429 CovalentContact SG-SG 2.03Å; C416-C429 PolarHBondContact SG-SG 3.06Å; G417-C429 PolarHBondContact N-SG 3.42Å; C429-D431 PolarHBondContact O-N 3.23Å
430	V	94.2	Very high	88.9	Confident	8 Å²	8	49.9 Å²	49.9	5%	0.048	24%	0.235	C	C	.	.			trans	-80.1	117.1	-170.9	-176.7	0	0	0	0	111.1	Y423 K428	Y423-V430 PolarHBondContact O-N 2.87Å; K428-V430 PolarHBondContact O-N 3.46Å
431	D	91.7	Very high	88.6	Confident	31 Å²	31	48.5 Å²	48.5	17%	0.166	24%	0.241	C	C	.	.			trans	-97.8	110.9	176.2	179.6	-23.8	0	0	0	110.1	R422 C429 D433 E434 R437	R422-D431 IonicContact CZ-OD2 3.81Å; R422-D431 IonicContact NH1-OD2 3.7Å; R422-D431 PolarHBondContact NH1-OD2 3.46Å; R422-D431 IonicContact NH2-OD2 2.76Å; C429-D431 PolarHBondContact O-N 3.23Å; D431-D433 PolarHBondContact O-N 3.48Å; D431-D433 VanDerWaalsContact O-N 3.12Å; D431-D433 WeakPolarHBondContact OD1-CB 3.2Å; D431-D433 PolarHBondContact OD1-N 3.1Å; D431-E434 HydrophobicContact CB-CB 4.1Å; D431-E434 WeakPolarHBondContact O-CB 2.98Å; D431-E434 PolarHBondContact O-N 3.42Å; D431-E434 PolarHBondContact OD1-N 3.33Å; D431-R437 IonicContact OD1-NH2 3.31Å; D431-R437 PolarHBondContact OD1-NH2 2.76Å; D431-R437 IonicContact OD2-CZ 2.84Å; D431-R437 IonicContact OD2-NH2 2.85Å; D431-R437 PolarHBondContact OD2-NH2 2.65Å
432	A	88.8	Confident	88.1	Confident	33 Å²	33	49.4 Å²	49.4	27%	0.273	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-39.1	179.2	0	0	0	0	0	113.3	M445 T528	A432-M445 HydrophobicContact CB-SD 3.55Å; A432-M445 VanDerWaalsContact CB-SD 3.55Å; A432-M445 VanDerWaalsContact O-CG 3.25Å; A432-M445 WeakPolarHBondContact O-CG 3.44Å; A432-T528 HydrophobicContact CB-CG2 3.94Å
433	D	89.7	Confident	87.7	Confident	41 Å²	41	45.5 Å²	45.5	22%	0.219	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.2	-176.7	-74.8	-20.9	0	0	0	113.6	D431 R435 C436 R437 M444 M445	D431-D433 PolarHBondContact O-N 3.48Å; D431-D433 VanDerWaalsContact O-N 3.12Å; D431-D433 WeakPolarHBondContact OD1-CB 3.2Å; D431-D433 PolarHBondContact OD1-N 3.1Å; D433-R435 VanDerWaalsContact C-N 3.31Å; D433-R435 PolarHBondContact O-N 2.99Å; D433-C436 PolarHBondContact O-N 3.1Å; D433-R437 WeakPolarHBondContact O-CG 3.5Å; D433-R437 PolarHBondContact O-N 2.04Å; D433-M444 HydrophobicContact CB-CB 4.35Å; D433-M444 WeakPolarHBondContact OD1-CB 3.36Å; D433-M445 PolarHBondContact OD1-N 3.35Å
434	E	88.6	Confident	87.3	Confident	44 Å²	44	47.1 Å²	47.1	21%	0.206	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-43.3	-172.5	-164.6	-165.6	159.2	0	0	111.5	K428 D431 C436 R437 K438	K428-E434 WeakPolarHBondContact CE-OE2 3.33Å; K428-E434 IonicContact NZ-OE1 3.63Å; K428-E434 IonicContact NZ-OE2 3.25Å; K428-E434 PolarHBondContact NZ-OE2 3.11Å; D431-E434 HydrophobicContact CB-CB 4.1Å; D431-E434 WeakPolarHBondContact O-CB 2.98Å; D431-E434 PolarHBondContact O-N 3.42Å; D431-E434 PolarHBondContact OD1-N 3.33Å; E434-C436 PolarHBondContact O-N 2.66Å; E434-R437 PolarHBondContact O-N 3.46Å; E434-K438 WeakPolarHBondContact O-CG 3.34Å; E434-K438 PolarHBondContact O-N 3.21Å; E434-K438 WeakPolarHBondContact OE1-CE 3.2Å; E434-K438 IonicContact OE1-NZ 3.02Å; E434-K438 PolarHBondContact OE1-NZ 3.38Å
435	R	83.7	Confident	87	Confident	88 Å²	88	48.3 Å²	48.3	33%	0.332	24%	0.243	S	C	.	.	H	α-helix	trans	-65.2	-40.1	-178.6	-168.6	65	-179	180	1.5	112	D433 K438 L485	D433-R435 VanDerWaalsContact C-N 3.31Å; D433-R435 PolarHBondContact O-N 2.99Å; R435-K438 PolarHBondContact O-N 2.92Å; R435-L485 HydrophobicContact CB-CD2 3.96Å; R435-L485 HydrophobicContact CG-CD2 3.45Å; R435-L485 VanDerWaalsContact CG-CD2 3.45Å
436	C	85.7	Confident	86.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-43.3	174.3	-69.9	0	0	0	0	111.7	D433 E434 K438 I439 N440 F443 M444 C487	D433-C436 PolarHBondContact O-N 3.1Å; E434-C436 PolarHBondContact O-N 2.66Å; C436-K438 VanDerWaalsContact C-N 3.29Å; C436-K438 PolarHBondContact O-N 2.98Å; C436-I439 WeakPolarHBondContact O-CB 3.2Å; C436-I439 PolarHBondContact O-N 2.92Å; C436-I439 VanDerWaalsContact O-N 3.11Å; C436-N440 PolarHBondContact O-N 3.21Å; C436-N440 VanDerWaalsContact O-N 3.12Å; C436-N440 VanDerWaalsContact O-O 3.13Å; C436-F443 HydrophobicContact CB-CB 3.99Å; C436-M444 PolarHBondContact SG-O 3.38Å; C436-C487 WeakPolarHBondContact CA-SG 3.04Å; C436-C487 HydrophobicContact CB-CB 3.77Å; C436-C487 WeakPolarHBondContact CB-SG 3.22Å; C436-C487 WeakPolarHBondContact SG-CA 3.41Å; C436-C487 WeakPolarHBondContact SG-CB 3.02Å; C436-C487 CovalentContact SG-SG 2.04Å; C436-C487 PolarHBondContact SG-SG 3.26Å
437	R	88.2	Confident	86.6	Confident	90 Å²	90	45.5 Å²	45.5	34%	0.34	23%	0.231	S	C	.	.	H	α-helix	trans	-61.8	-33.6	176.8	-76.3	-176.6	-72.6	142.8	-3.9	113.5	D431 D433 E434 I439 N440 S441 F443	D431-R437 IonicContact OD1-NH2 3.31Å; D431-R437 PolarHBondContact OD1-NH2 2.76Å; D431-R437 IonicContact OD2-CZ 2.84Å; D431-R437 IonicContact OD2-NH2 2.85Å; D431-R437 PolarHBondContact OD2-NH2 2.65Å; D433-R437 WeakPolarHBondContact O-CG 3.5Å; D433-R437 PolarHBondContact O-N 2.04Å; E434-R437 PolarHBondContact O-N 3.46Å; R437-I439 VanDerWaalsContact C-N 3.26Å; R437-I439 PolarHBondContact O-N 2.87Å; R437-N440 CarbonylContact C-O 3.09Å; R437-N440 VanDerWaalsContact CA-O 3.29Å; R437-N440 WeakPolarHBondContact CA-O 3.39Å; R437-N440 CarbonylContact O-C 3.54Å; R437-N440 PolarHBondContact O-N 3.09Å; R437-S441 WeakPolarHBondContact O-CA 3.03Å; R437-S441 PolarHBondContact O-N 2.82Å; R437-F443 WeakPolarHBondContact CG-O 3.13Å
438	K	81	Confident	86.6	Confident	101 Å²	101	48.5 Å²	48.5	44%	0.439	25%	0.246	S	C	.	.	H	α-helix	trans	-64.5	-30.4	175.7	-78.1	174.1	-179	165.3	0	113	E434 R435 C436	E434-K438 WeakPolarHBondContact O-CG 3.34Å; E434-K438 PolarHBondContact O-N 3.21Å; E434-K438 WeakPolarHBondContact OE1-CE 3.2Å; E434-K438 IonicContact OE1-NZ 3.02Å; E434-K438 PolarHBondContact OE1-NZ 3.38Å; R435-K438 PolarHBondContact O-N 2.92Å; C436-K438 VanDerWaalsContact C-N 3.29Å; C436-K438 PolarHBondContact O-N 2.98Å
439	I	74.9	Confident	86.4	Confident	72 Å²	72	49.9 Å²	49.9	37%	0.369	25%	0.252	S	S	.	.	H	α-helix	trans	-76	-51.2	176.5	-63	169.1	0	0	0	109.8	C436 R437 F443 L519	C436-I439 WeakPolarHBondContact O-CB 3.2Å; C436-I439 PolarHBondContact O-N 2.92Å; C436-I439 VanDerWaalsContact O-N 3.11Å; R437-I439 VanDerWaalsContact C-N 3.26Å; R437-I439 PolarHBondContact O-N 2.87Å; I439-F443 HydrophobicContact CG2-CD2 4.35Å; I439-F443 HydrophobicContact CG2-CE2 4.35Å; I439-L519 HydrophobicContact CD1-CD1 3.15Å; I439-L519 HydrophobicContact CD1-CD2 3.87Å; I439-L519 HydrophobicContact CD1-CG 4.13Å; I439-L519 HydrophobicContact CG2-CD2 4.4Å
440	N	76.6	Confident	86.1	Confident	37 Å²	37	49.3 Å²	49.3	20%	0.198	25%	0.248	C	C	.	.			trans	-149.1	129.8	171	-176.2	-25.4	0	0	0	108.1	C436 R437 E442 F443	C436-N440 PolarHBondContact O-N 3.21Å; C436-N440 VanDerWaalsContact O-N 3.12Å; C436-N440 VanDerWaalsContact O-O 3.13Å; R437-N440 CarbonylContact C-O 3.09Å; R437-N440 VanDerWaalsContact CA-O 3.29Å; R437-N440 WeakPolarHBondContact CA-O 3.39Å; R437-N440 CarbonylContact O-C 3.54Å; R437-N440 PolarHBondContact O-N 3.09Å; N440-E442 PolarHBondContact O-N 3.18Å; N440-E442 PolarHBondContact OD1-N 3.07Å; N440-F443 HydrophobicContact CB-CD1 3.9Å; N440-F443 HydrophobicContact CB-CD2 3.78Å; N440-F443 HydrophobicContact CB-CE1 3.92Å; N440-F443 HydrophobicContact CB-CE2 3.82Å; N440-F443 HydrophobicContact CB-CG 3.82Å; N440-F443 HydrophobicContact CB-CZ 3.89Å; N440-F443 WeakPolarHBondContact O-CB 3.4Å; N440-F443 PolarHBondContact O-N 2.79Å
441	S	81.3	Confident	86	Confident	90 Å²	90	49.1 Å²	49.1	63%	0.629	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.5	-178	48.8	0	0	0	0	114	R437 F443	R437-S441 WeakPolarHBondContact O-CA 3.03Å; R437-S441 PolarHBondContact O-N 2.82Å; S441-F443 VanDerWaalsContact C-N 3.32Å
442	E	80.7	Confident	86	Confident	83 Å²	83	53.4 Å²	53.4	39%	0.388	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.8	176.7	-60	-168.9	137.5	0	0	114.1	N440 K490	N440-E442 PolarHBondContact O-N 3.18Å; N440-E442 PolarHBondContact OD1-N 3.07Å; E442-K490 WeakPolarHBondContact O-CB 3.34Å; E442-K490 WeakPolarHBondContact O-CG 3.35Å; E442-K490 PolarHBondContact O-N 3.09Å
443	F	84.3	Confident	85.9	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.009	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	152.9	-179.6	-64.7	1.4	0	0	0	111.2	C436 R437 I439 N440 S441 C487 K488 R489 V517	C436-F443 HydrophobicContact CB-CB 3.99Å; R437-F443 WeakPolarHBondContact CG-O 3.13Å; I439-F443 HydrophobicContact CG2-CD2 4.35Å; I439-F443 HydrophobicContact CG2-CE2 4.35Å; N440-F443 HydrophobicContact CB-CD1 3.9Å; N440-F443 HydrophobicContact CB-CD2 3.78Å; N440-F443 HydrophobicContact CB-CE1 3.92Å; N440-F443 HydrophobicContact CB-CE2 3.82Å; N440-F443 HydrophobicContact CB-CG 3.82Å; N440-F443 HydrophobicContact CB-CZ 3.89Å; N440-F443 WeakPolarHBondContact O-CB 3.4Å; N440-F443 PolarHBondContact O-N 2.79Å; S441-F443 VanDerWaalsContact C-N 3.32Å; F443-C487 HydrophobicContact CB-CB 4.27Å; F443-C487 HydrophobicContact CD2-CB 4.21Å; F443-K488 CarbonylContact C-O 3.49Å; F443-K488 WeakPolarHBondContact CA-O 3.45Å; F443-R489 HydrophobicContact CD1-CB 4.49Å; F443-R489 HydrophobicContact CD1-CG 3.53Å; F443-R489 HydrophobicContact CE1-CG 3.29Å; F443-R489 HydrophobicContact CZ-CG 4.36Å; F443-V517 HydrophobicContact CD2-CG2 4.33Å; F443-V517 HydrophobicContact CE2-CB 4.23Å; F443-V517 HydrophobicContact CE2-CG1 4.11Å; F443-V517 HydrophobicContact CE2-CG2 3.71Å; F443-V517 HydrophobicContact CZ-CG2 3.83Å
444	M	88.3	Confident	85.8	Confident	52 Å²	52	54.4 Å²	54.4	26%	0.256	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	171.8	172.4	64.5	175.8	-65	0	0	108.6	D433 C436 C487 K488 K490	D433-M444 HydrophobicContact CB-CB 4.35Å; D433-M444 WeakPolarHBondContact OD1-CB 3.36Å; C436-M444 PolarHBondContact SG-O 3.38Å; M444-C487 CarbonylContact O-C 3.55Å; M444-C487 VanDerWaalsContact O-CA 3.23Å; M444-C487 WeakPolarHBondContact O-CA 3.21Å; M444-K488 HydrophobicContact CG-CD 4.4Å; M444-K488 HydrophobicContact CG-CG 3.71Å; M444-K488 PolarHBondContact N-O 3.45Å; M444-K488 PolarHBondContact O-N 3.46Å; M444-K490 HydrophobicContact CB-CG 4.17Å; M444-K490 HydrophobicContact CG-CG 4.01Å; M444-K490 HydrophobicContact SD-CG 4.05Å
445	M	88.8	Confident	86	Confident	25 Å²	25	52.3 Å²	52.3	12%	0.123	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	142.2	172.1	-85.9	-175.8	68.6	0	0	110.9	A432 D433 Y451 L485 K488 V524 T528	A432-M445 HydrophobicContact CB-SD 3.55Å; A432-M445 VanDerWaalsContact CB-SD 3.55Å; A432-M445 VanDerWaalsContact O-CG 3.25Å; A432-M445 WeakPolarHBondContact O-CG 3.44Å; D433-M445 PolarHBondContact OD1-N 3.35Å; M445-Y451 HydrophobicContact CE-CE1 3.98Å; M445-Y451 HydrophobicContact CE-CE2 3.8Å; M445-Y451 WeakPolarHBondContact CE-OH 3.49Å; M445-L485 HydrophobicContact CG-CD1 3.95Å; M445-L485 HydrophobicContact SD-CD1 4.21Å; M445-K488 VanDerWaalsContact O-CE 3.27Å; M445-K488 WeakPolarHBondContact O-CE 3.24Å; M445-V524 HydrophobicContact CE-CG2 4.47Å; M445-T528 HydrophobicContact CE-CG2 4.33Å; M445-T528 HydrophobicContact SD-CG2 4.06Å
446	A	88.9	Confident	86.4	Confident	9 Å²	9	50.3 Å²	50.3	7%	0.074	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-67.1	162.8	175.6	0	0	0	0	0	111.6	C450 Y451 I486 K488	A446-C450 HydrophobicContact CB-CB 3.92Å; A446-Y451 HydrophobicContact CB-CE2 4.06Å; A446-Y451 WeakPolarHBondContact O-CE2 3.33Å; A446-I486 HydrophobicContact CB-CB 4.02Å; A446-I486 HydrophobicContact CB-CG2 3.62Å; A446-I486 VanDerWaalsContact CB-O 3.25Å; A446-I486 WeakPolarHBondContact CB-O 3.39Å; A446-I486 PolarHBondContact N-O 3.11Å; A446-K488 HydrophobicContact CB-CB 4.26Å
447	D	87.6	Confident	86.4	Confident	64 Å²	64	54.7 Å²	54.7	34%	0.342	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-63.3	150.7	176.3	-59.1	-65	0	0	0	111	F449 C450 K488	D447-F449 PolarHBondContact O-N 3.17Å; D447-F449 VanDerWaalsContact O-N 3.08Å; D447-C450 WeakPolarHBondContact O-CB 3.3Å; D447-C450 PolarHBondContact O-N 3.25Å; D447-K488 IonicContact OD1-NZ 3.04Å; D447-K488 PolarHBondContact OD1-NZ 3.41Å; D447-K488 IonicContact OD2-NZ 2.66Å; D447-K488 PolarHBondContact OD2-NZ 2.96Å
448	D	89.2	Confident	86	Confident	70 Å²	70	51.2 Å²	51.2	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-46.9	-41.5	179.4	176.5	72.3	0	0	0	112.8	C450 Y451 R452 Y480 Q481	D448-C450 PolarHBondContact O-N 2.83Å; D448-C450 VanDerWaalsContact O-N 3.16Å; D448-Y451 WeakPolarHBondContact O-CB 3.18Å; D448-Y451 PolarHBondContact O-N 2.87Å; D448-R452 PolarHBondContact O-N 3.22Å; D448-Y480 WeakPolarHBondContact OD1-CE2 3.44Å; D448-Y480 PolarHBondContact OD1-OH 2.04Å; D448-Y480 PolarHBondContact OD2-OH 3.25Å; D448-Q481 PolarHBondContact OD1-NE2 3.3Å
449	F	88.2	Confident	85.6	Confident	94 Å²	94	47.9 Å²	47.9	41%	0.412	25%	0.25	S	S	.	.	H	α-helix	trans	-53.2	-37.3	176.5	179.9	-95.8	0	0	0	113.2	D447 K453 A510 N512	D447-F449 PolarHBondContact O-N 3.17Å; D447-F449 VanDerWaalsContact O-N 3.08Å; F449-K453 HydrophobicContact CE1-CD 4.13Å; F449-K453 WeakPolarHBondContact O-CB 3.27Å; F449-K453 PolarHBondContact O-N 2.69Å; F449-A510 HydrophobicContact CE1-CB 4.02Å; F449-N512 HydrophobicContact CD1-CB 4.04Å
450	C	88.5	Confident	85.2	Confident	1 Å²	1	49 Å²	49	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-72	-40.8	179	-58.7	0	0	0	0	112	A446 D447 D448 R452 K453 Y454 I486 N512 C513	A446-C450 HydrophobicContact CB-CB 3.92Å; D447-C450 WeakPolarHBondContact O-CB 3.3Å; D447-C450 PolarHBondContact O-N 3.25Å; D448-C450 PolarHBondContact O-N 2.83Å; D448-C450 VanDerWaalsContact O-N 3.16Å; C450-R452 VanDerWaalsContact C-N 3.34Å; C450-K453 PolarHBondContact O-N 3.08Å; C450-Y454 HydrophobicContact CB-CD2 4.44Å; C450-Y454 WeakPolarHBondContact O-CD2 3.27Å; C450-Y454 PolarHBondContact O-N 2.6Å; C450-I486 HydrophobicContact CB-CG2 4.39Å; C450-N512 PolarHBondContact SG-O 2.97Å; C450-C513 WeakPolarHBondContact CA-SG 3.21Å; C450-C513 HydrophobicContact CB-CB 4.22Å; C450-C513 WeakPolarHBondContact CB-SG 3.49Å; C450-C513 WeakPolarHBondContact SG-CA 3.4Å; C450-C513 WeakPolarHBondContact SG-CB 3Å; C450-C513 CovalentContact SG-SG 2.05Å; C450-C513 PolarHBondContact SG-SG 3.26Å
451	Y	91.8	Very high	85	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-59.2	-49.4	172.9	-76	-91	0	0	0	110.2	M445 A446 D448 K453 Y454 N455 M484 I486 V524	M445-Y451 HydrophobicContact CE-CE1 3.98Å; M445-Y451 HydrophobicContact CE-CE2 3.8Å; M445-Y451 WeakPolarHBondContact CE-OH 3.49Å; A446-Y451 HydrophobicContact CB-CE2 4.06Å; A446-Y451 WeakPolarHBondContact O-CE2 3.33Å; D448-Y451 WeakPolarHBondContact O-CB 3.18Å; D448-Y451 PolarHBondContact O-N 2.87Å; Y451-K453 VanDerWaalsContact C-N 3.32Å; Y451-K453 PolarHBondContact O-N 2.98Å; Y451-Y454 PolarHBondContact O-N 2.75Å; Y451-N455 VanDerWaalsContact O-CB 3.25Å; Y451-N455 WeakPolarHBondContact O-CB 2.98Å; Y451-N455 PolarHBondContact O-N 3.35Å; Y451-M484 WeakPolarHBondContact CE1-O 3.11Å; Y451-I486 HydrophobicContact CD1-CD1 4.36Å; Y451-I486 HydrophobicContact CD1-CG1 4.47Å; Y451-I486 HydrophobicContact CE1-CB 4.25Å; Y451-I486 HydrophobicContact CE1-CG1 4.24Å; Y451-I486 HydrophobicContact CE2-CB 4.16Å; Y451-I486 HydrophobicContact CG-CD1 4.44Å; Y451-I486 PolarHBondContact OH-N 3.26Å; Y451-I486 PolarHBondContact OH-O 3.34Å; Y451-V524 HydrophobicContact CE1-CG2 3.85Å
452	R	92	Very high	84.8	Confident	122 Å²	122	45.5 Å²	45.5	46%	0.46	23%	0.233	S	C	.	.	H	α-helix	trans	-59.4	-44.2	178.5	-164.7	172.3	-171.6	-83.7	-12.6	111.9	D448 C450 L456 D477 Y480	D448-R452 PolarHBondContact O-N 3.22Å; C450-R452 VanDerWaalsContact C-N 3.34Å; R452-L456 HydrophobicContact CG-CD1 3.59Å; R452-L456 HydrophobicContact CG-CG 4.4Å; R452-L456 WeakPolarHBondContact O-CB 3.48Å; R452-L456 WeakPolarHBondContact O-CD1 3.33Å; R452-L456 VanDerWaalsContact O-CG 3.23Å; R452-L456 WeakPolarHBondContact O-CG 3.1Å; R452-D477 IonicContact CZ-OD1 3.81Å; R452-D477 IonicContact NE-OD1 3.36Å; R452-D477 IonicContact NH2-OD1 2.65Å; R452-D477 PolarHBondContact NH2-OD1 2.84Å; R452-Y480 VanDerWaalsContact CA-CD2 3.41Å; R452-Y480 HydrophobicContact CB-CD2 3.8Å; R452-Y480 HydrophobicContact CB-CE2 3.68Å; R452-Y480 HydrophobicContact CB-CG 4.39Å; R452-Y480 HydrophobicContact CG-CD2 4.35Å; R452-Y480 HydrophobicContact CG-CE2 4.29Å; R452-Y480 HydrophobicContact CG-CG 4.5Å; R452-Y480 VanDerWaalsContact N-CD2 3.27Å
453	K	86.2	Confident	84.9	Confident	78 Å²	78	42.4 Å²	42.4	34%	0.339	22%	0.218	S	C	.	.	H	α-helix	trans	-63.5	-44.9	-178.3	179.8	169.5	-173.6	156.6	0	113.5	F449 C450 Y451 V457 D507	F449-K453 HydrophobicContact CE1-CD 4.13Å; F449-K453 WeakPolarHBondContact O-CB 3.27Å; F449-K453 PolarHBondContact O-N 2.69Å; C450-K453 PolarHBondContact O-N 3.08Å; Y451-K453 VanDerWaalsContact C-N 3.32Å; Y451-K453 PolarHBondContact O-N 2.98Å; K453-V457 VanDerWaalsContact O-CG2 3.23Å; K453-V457 WeakPolarHBondContact O-CG2 2.86Å; K453-D507 IonicContact NZ-OD2 3.69Å; K453-D507 PolarHBondContact NZ-OD2 3.44Å
454	Y	88	Confident	84.8	Confident	16 Å²	16	42.9 Å²	42.9	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-94.1	-41	-171.5	-67.9	-67.7	0	0	0	112.6	C450 Y451 L456 V457 V461 G462 I486 T505 C513 L518	C450-Y454 HydrophobicContact CB-CD2 4.44Å; C450-Y454 WeakPolarHBondContact O-CD2 3.27Å; C450-Y454 PolarHBondContact O-N 2.6Å; Y451-Y454 PolarHBondContact O-N 2.75Å; Y454-L456 PolarHBondContact O-N 3.07Å; Y454-V457 PolarHBondContact O-N 2.96Å; Y454-V461 HydrophobicContact CD1-CB 4.26Å; Y454-V461 HydrophobicContact CD1-CG2 3.85Å; Y454-V461 HydrophobicContact CE1-CG2 4.38Å; Y454-G462 CarbonylContact O-C 3.57Å; Y454-G462 WeakPolarHBondContact O-CA 3.14Å; Y454-I486 HydrophobicContact CD2-CD1 3.88Å; Y454-I486 HydrophobicContact CG-CD1 4.3Å; Y454-T505 HydrophobicContact CE1-CG2 4.48Å; Y454-T505 WeakPolarHBondContact OH-CB 3.45Å; Y454-T505 PolarHBondContact OH-OG1 2.99Å; Y454-C513 HydrophobicContact CE2-CB 4.19Å; Y454-L518 HydrophobicContact CD2-CD2 4.14Å; Y454-L518 HydrophobicContact CE1-CD1 4.4Å; Y454-L518 HydrophobicContact CE2-CD2 4.37Å; Y454-L518 HydrophobicContact CG-CD2 4.32Å
455	N	91.6	Very high	84.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-76.7	-24.7	-171.5	-74.3	-15.6	0	0	0	113.7	Y451 V457 G462 R463 C475 Y480 M484	Y451-N455 VanDerWaalsContact O-CB 3.25Å; Y451-N455 WeakPolarHBondContact O-CB 2.98Å; Y451-N455 PolarHBondContact O-N 3.35Å; N455-V457 PolarHBondContact O-N 3.25Å; N455-G462 VanDerWaalsContact OD1-CA 3.23Å; N455-G462 WeakPolarHBondContact OD1-CA 3.44Å; N455-R463 PolarHBondContact OD1-N 2Å; N455-C475 HydrophobicContact CB-CB 4.24Å; N455-C475 WeakPolarHBondContact O-CB 3.23Å; N455-C475 PolarHBondContact O-N 3.35Å; N455-Y480 WeakPolarHBondContact CB-O 3.03Å; N455-Y480 PolarHBondContact ND2-O 2.98Å; N455-M484 PolarHBondContact ND2-N 3.16Å; N455-M484 PolarHBondContact ND2-O 3.21Å
456	L	91.8	Very high	83.5	Confident	46 Å²	46	44.5 Å²	44.5	24%	0.241	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.7	172.5	-66.2	-178.4	0	0	0	113.8	R452 Y454 A474 C475 T476	R452-L456 HydrophobicContact CG-CD1 3.59Å; R452-L456 HydrophobicContact CG-CG 4.4Å; R452-L456 WeakPolarHBondContact O-CB 3.48Å; R452-L456 WeakPolarHBondContact O-CD1 3.33Å; R452-L456 VanDerWaalsContact O-CG 3.23Å; R452-L456 WeakPolarHBondContact O-CG 3.1Å; Y454-L456 PolarHBondContact O-N 3.07Å; L456-A474 WeakPolarHBondContact O-CB 3.27Å; L456-C475 HydrophobicContact CD2-CB 4.31Å; L456-C475 VanDerWaalsContact CD2-O 3.27Å; L456-C475 WeakPolarHBondContact CD2-O 3.49Å; L456-T476 WeakPolarHBondContact CD2-O 3.02Å
457	V	86.1	Confident	82	Confident	92 Å²	92	47.1 Å²	47.1	56%	0.558	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-32.3	-176	-173.9	0	0	0	0	112	K453 Y454 N455	K453-V457 VanDerWaalsContact O-CG2 3.23Å; K453-V457 WeakPolarHBondContact O-CG2 2.86Å; Y454-V457 PolarHBondContact O-N 2.96Å; N455-V457 PolarHBondContact O-N 3.25Å
458	G	80.1	Confident	80.2	Confident	17 Å²	17	52.9 Å²	52.9	18%	0.175	28%	0.277	C	S	.	.			trans	67.5	44.2	-174.1	0	0	0	0	0	112.9	G462 R472	G458-G462 CarbonylContact C-O 3.55Å; G458-G462 WeakPolarHBondContact CA-O 3.39Å; G458-G462 PolarHBondContact N-O 2.84Å; G458-R472 VanDerWaalsContact O-CB 3.28Å; G458-R472 WeakPolarHBondContact O-CB 3.36Å
459	S	72.8	Confident	78.1	Confident	31 Å²	31	54.5 Å²	54.5	22%	0.217	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-117.7	-173.3	-175.9	73	0	0	0	0	112.6	V461 G462 R472	S459-V461 PolarHBondContact O-N 2.85Å; S459-V461 WeakPolarHBondContact OG-CG2 3.36Å; S459-V461 PolarHBondContact OG-N 3.38Å; S459-G462 PolarHBondContact N-O 2.87Å; S459-R472 VanDerWaalsContact C-CD 3.5Å
460	N	67.2	Low	76.5	Confident	97 Å²	97	56.9 Å²	56.9	52%	0.519	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.6	174.9	-69.9	-40.9	0	0	0	113.5	R472	N460-R472 PolarHBondContact OD1-NE 3.43Å; N460-R472 PolarHBondContact OD1-NH2 3.03Å
461	V	70.5	Confident	74.8	Confident	52 Å²	52	63.7 Å²	63.7	32%	0.315	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-6.8	-174.8	-68.1	0	0	0	0	113.2	Y454 S459 L518	Y454-V461 HydrophobicContact CD1-CB 4.26Å; Y454-V461 HydrophobicContact CD1-CG2 3.85Å; Y454-V461 HydrophobicContact CE1-CG2 4.38Å; S459-V461 PolarHBondContact O-N 2.85Å; S459-V461 WeakPolarHBondContact OG-CG2 3.36Å; S459-V461 PolarHBondContact OG-N 3.38Å; V461-L518 HydrophobicContact CB-CD1 3.8Å; V461-L518 HydrophobicContact CG1-CD1 3.86Å; V461-L518 WeakPolarHBondContact O-CD2 3.37Å
462	G	77.5	Confident	74	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-177.8	133.8	176	0	0	0	0	0	111.2	Y454 N455 G458 S459	Y454-G462 CarbonylContact O-C 3.57Å; Y454-G462 WeakPolarHBondContact O-CA 3.14Å; N455-G462 VanDerWaalsContact OD1-CA 3.23Å; N455-G462 WeakPolarHBondContact OD1-CA 3.44Å; G458-G462 CarbonylContact C-O 3.55Å; G458-G462 WeakPolarHBondContact CA-O 3.39Å; G458-G462 PolarHBondContact N-O 2.84Å; S459-G462 PolarHBondContact N-O 2.87Å
463	R	83.6	Confident	73.3	Confident	18 Å²	18	65.6 Å²	65.6	7%	0.068	35%	0.351	C	S	.	.			trans	-164.5	166.6	-176.4	72.3	-164.1	179.7	-165.1	5.1	110.7	N455 V473 G483 M484	N455-R463 PolarHBondContact OD1-N 2Å; R463-V473 WeakPolarHBondContact CB-O 3.03Å; R463-G483 CarbonylContact O-C 3.6Å; R463-G483 VanDerWaalsContact O-CA 3.32Å; R463-G483 WeakPolarHBondContact O-CA 3.17Å; R463-M484 HydrophobicContact CG-CG 3.88Å; R463-M484 HydrophobicContact CG-SD 3.69Å; R463-M484 PolarHBondContact O-N 2.91Å
464	C	81.7	Confident	73.5	Confident	13 Å²	13	64 Å²	64	9%	0.088	35%	0.352	C	S	.	.	S	Bend	trans	-84.5	-54.8	171.7	-142.4	0	0	0	0	110.1	V473 C475 Q539	C464-V473 PolarHBondContact N-O 3.36Å; C464-C475 WeakPolarHBondContact CA-SG 3.3Å; C464-C475 HydrophobicContact CB-CB 4.18Å; C464-C475 WeakPolarHBondContact CB-SG 3.18Å; C464-C475 PolarHBondContact N-SG 2.92Å; C464-C475 PolarHBondContact SG-SG 3.33Å; C464-Q539 WeakPolarHBondContact O-CG 3.29Å; C464-Q539 PolarHBondContact SG-O 3.32Å; C464-Q539 VanDerWaalsContact SG-O 3.42Å
465	S	78.7	Confident	73.8	Confident	42 Å²	42	63.7 Å²	63.7	29%	0.294	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	-179.1	-171.1	62.8	0	0	0	0	111.3	V473	S465-V473 PolarHBondContact O-N 2.91Å; S465-V473 WeakPolarHBondContact OG-CB 3.28Å
466	L	72.3	Confident	73.9	Confident	68 Å²	68	67.4 Å²	67.4	36%	0.356	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.5	164.2	-67.6	175.6	0	0	0	107.1	K471 R472	L466-K471 WeakPolarHBondContact CA-O 3.38Å; L466-R472 HydrophobicContact CD2-CB 4.43Å; L466-R472 HydrophobicContact CD2-CG 3.81Å
467	D	57.1	Low	74	Confident	65 Å²	65	70 Å²	70	35%	0.348	39%	0.389	S	S	.	.			trans	-75.4	177.9	170.9	71.6	11.5	0	0	0	111.4	S469 M470 K471 V473	D467-S469 PolarHBondContact O-N 3.39Å; D467-S469 VanDerWaalsContact O-N 3.09Å; D467-S469 VanDerWaalsContact OD1-C 3.31Å; D467-S469 VanDerWaalsContact OD1-CA 3.31Å; D467-S469 WeakPolarHBondContact OD1-CA 3.22Å; D467-S469 WeakPolarHBondContact OD1-CB 3.23Å; D467-S469 PolarHBondContact OD1-N 3.33Å; D467-M470 WeakPolarHBondContact O-CA 3.39Å; D467-M470 PolarHBondContact O-N 2.89Å; D467-M470 PolarHBondContact OD1-N 2.53Å; D467-K471 PolarHBondContact N-O 2.71Å; D467-K471 WeakPolarHBondContact OD1-CA 3.38Å; D467-K471 VanDerWaalsContact OD1-CB 3.29Å; D467-K471 WeakPolarHBondContact OD1-CB 3.2Å; D467-K471 PolarHBondContact OD1-N 3.47Å; D467-K471 WeakPolarHBondContact OD2-CB 3.04Å; D467-V473 HydrophobicContact CB-CG2 4.07Å
468	L	50.3	Low	74.3	Confident	185 Å²	185	72.6 Å²	72.6	97%	0.969	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.5	178.4	-65.4	172.1	0	0	0	113.6	M470	L468-M470 VanDerWaalsContact C-N 3.33Å
469	S	44.9	Very low	75.1	Confident	104 Å²	104	73.2 Å²	73.2	73%	0.727	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	12.3	175.4	-60.1	0	0	0	0	112.8	D467 K471	D467-S469 PolarHBondContact O-N 3.39Å; D467-S469 VanDerWaalsContact O-N 3.09Å; D467-S469 VanDerWaalsContact OD1-C 3.31Å; D467-S469 VanDerWaalsContact OD1-CA 3.31Å; D467-S469 WeakPolarHBondContact OD1-CA 3.22Å; D467-S469 WeakPolarHBondContact OD1-CB 3.23Å; D467-S469 PolarHBondContact OD1-N 3.33Å; S469-K471 PolarHBondContact O-N 3Å; S469-K471 VanDerWaalsContact O-N 3.11Å
470	M	53	Low	76.1	Confident	143 Å²	143	73.2 Å²	73.2	70%	0.704	39%	0.388	S	S	*	.			trans	57.3	18.3	-172.3	-54.9	-174.8	65.8	0	0	114.1	D467 L468	D467-M470 WeakPolarHBondContact O-CA 3.39Å; D467-M470 PolarHBondContact O-N 2.89Å; D467-M470 PolarHBondContact OD1-N 2.53Å; L468-M470 VanDerWaalsContact C-N 3.33Å
471	K	54.1	Low	77.5	Confident	145 Å²	145	70.4 Å²	70.4	63%	0.63	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-76.7	141.1	174	-167.3	-176.4	175.1	-176	0	108.3	L466 D467 S469	L466-K471 WeakPolarHBondContact CA-O 3.38Å; D467-K471 PolarHBondContact N-O 2.71Å; D467-K471 WeakPolarHBondContact OD1-CA 3.38Å; D467-K471 VanDerWaalsContact OD1-CB 3.29Å; D467-K471 WeakPolarHBondContact OD1-CB 3.2Å; D467-K471 PolarHBondContact OD1-N 3.47Å; D467-K471 WeakPolarHBondContact OD2-CB 3.04Å; S469-K471 PolarHBondContact O-N 3Å; S469-K471 VanDerWaalsContact O-N 3.11Å
472	R	75.2	Confident	78.6	Confident	110 Å²	110	68 Å²	68	42%	0.415	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.6	-176.3	-59.5	168.8	-168	77.9	0.7	109	G458 S459 N460 L466	G458-R472 VanDerWaalsContact O-CB 3.28Å; G458-R472 WeakPolarHBondContact O-CB 3.36Å; S459-R472 VanDerWaalsContact C-CD 3.5Å; N460-R472 PolarHBondContact OD1-NE 3.43Å; N460-R472 PolarHBondContact OD1-NH2 3.03Å; L466-R472 HydrophobicContact CD2-CB 4.43Å; L466-R472 HydrophobicContact CD2-CG 3.81Å
473	V	77.6	Confident	79.3	Confident	56 Å²	56	68 Å²	68	34%	0.339	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.6	179.7	-177.1	0	0	0	0	108.6	R463 C464 S465 D467	R463-V473 WeakPolarHBondContact CB-O 3.03Å; C464-V473 PolarHBondContact N-O 3.36Å; S465-V473 PolarHBondContact O-N 2.91Å; S465-V473 WeakPolarHBondContact OG-CB 3.28Å; D467-V473 HydrophobicContact CB-CG2 4.07Å
474	A	90.2	Very high	79.4	Confident	45 Å²	45	67.2 Å²	67.2	37%	0.372	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-66.8	145.2	173.8	0	0	0	0	0	110.7	L456	L456-A474 WeakPolarHBondContact O-CB 3.27Å
475	C	93	Very high	79.8	Confident	9 Å²	9	66.8 Å²	66.8	6%	0.061	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.8	155.7	168.7	-66	0	0	0	0	110.8	N455 L456 C464	N455-C475 HydrophobicContact CB-CB 4.24Å; N455-C475 WeakPolarHBondContact O-CB 3.23Å; N455-C475 PolarHBondContact O-N 3.35Å; L456-C475 HydrophobicContact CD2-CB 4.31Å; L456-C475 VanDerWaalsContact CD2-O 3.27Å; L456-C475 WeakPolarHBondContact CD2-O 3.49Å; C464-C475 WeakPolarHBondContact CA-SG 3.3Å; C464-C475 HydrophobicContact CB-CB 4.18Å; C464-C475 WeakPolarHBondContact CB-SG 3.18Å; C464-C475 PolarHBondContact N-SG 2.92Å; C464-C475 PolarHBondContact SG-SG 3.33Å
476	T	94.2	Very high	80.2	Confident	78 Å²	78	64.9 Å²	64.9	48%	0.479	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-82.3	164.6	164.4	63.3	0	0	0	0	110.6	L456 K478 N479 Y480	L456-T476 WeakPolarHBondContact CD2-O 3.02Å; T476-K478 PolarHBondContact O-N 2.94Å; T476-K478 VanDerWaalsContact O-N 3.1Å; T476-N479 PolarHBondContact O-N 3.07Å; T476-N479 WeakPolarHBondContact OG1-CB 3.47Å; T476-N479 PolarHBondContact OG1-N 3.48Å; T476-N479 PolarHBondContact OG1-ND2 3.12Å; T476-Y480 PolarHBondContact O-N 2.82Å; T476-Y480 VanDerWaalsContact O-N 3.11Å
477	D	93.3	Very high	80.9	Confident	101 Å²	101	61.6 Å²	61.6	54%	0.54	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.9	173	-79.2	-72.3	0	0	0	113.3	R452 Y480	R452-D477 IonicContact CZ-OD1 3.81Å; R452-D477 IonicContact NE-OD1 3.36Å; R452-D477 IonicContact NH2-OD1 2.65Å; R452-D477 PolarHBondContact NH2-OD1 2.84Å; D477-Y480 WeakPolarHBondContact O-CD1 3.11Å; D477-Y480 WeakPolarHBondContact O-CE1 3.4Å
478	K	93.6	Very high	82.2	Confident	145 Å²	145	60.3 Å²	60.3	63%	0.63	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-32.4	173.6	-171.9	179.2	175.6	-170.5	0	112.6	T476 C541	T476-K478 PolarHBondContact O-N 2.94Å; T476-K478 VanDerWaalsContact O-N 3.1Å; K478-C541 WeakPolarHBondContact CE-O 2.96Å; K478-C541 WeakPolarHBondContact O-CB 2.96Å
479	N	95.7	Very high	83.6	Confident	30 Å²	30	53.4 Å²	53.4	16%	0.16	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	2	-164	-64.7	-14	0	0	0	114.1	T476 Q481 C482 C541	T476-N479 PolarHBondContact O-N 3.07Å; T476-N479 WeakPolarHBondContact OG1-CB 3.47Å; T476-N479 PolarHBondContact OG1-N 3.48Å; T476-N479 PolarHBondContact OG1-ND2 3.12Å; N479-Q481 PolarHBondContact O-N 2.8Å; N479-Q481 VanDerWaalsContact O-N 3.1Å; N479-C482 PolarHBondContact O-N 3.45Å; N479-C541 PolarHBondContact OD1-N 2.77Å
480	Y	95.5	Very high	85.1	Confident	32 Å²	32	53.8 Å²	53.8	13%	0.125	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-61.3	-23.9	-173.1	70.5	-94.2	0	0	0	114.4	D448 R452 N455 T476 D477 C482	D448-Y480 WeakPolarHBondContact OD1-CE2 3.44Å; D448-Y480 PolarHBondContact OD1-OH 2.04Å; D448-Y480 PolarHBondContact OD2-OH 3.25Å; R452-Y480 VanDerWaalsContact CA-CD2 3.41Å; R452-Y480 HydrophobicContact CB-CD2 3.8Å; R452-Y480 HydrophobicContact CB-CE2 3.68Å; R452-Y480 HydrophobicContact CB-CG 4.39Å; R452-Y480 HydrophobicContact CG-CD2 4.35Å; R452-Y480 HydrophobicContact CG-CE2 4.29Å; R452-Y480 HydrophobicContact CG-CG 4.5Å; R452-Y480 VanDerWaalsContact N-CD2 3.27Å; N455-Y480 WeakPolarHBondContact CB-O 3.03Å; N455-Y480 PolarHBondContact ND2-O 2.98Å; T476-Y480 PolarHBondContact O-N 2.82Å; T476-Y480 VanDerWaalsContact O-N 3.11Å; D477-Y480 WeakPolarHBondContact O-CD1 3.11Å; D477-Y480 WeakPolarHBondContact O-CE1 3.4Å; Y480-C482 VanDerWaalsContact C-N 3.32Å
481	Q	94.9	Very high	85.8	Confident	38 Å²	38	50.8 Å²	50.8	18%	0.178	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-78.1	-15.3	175.1	-65.4	177.7	-47.3	0	0	113.5	D448 N479 V524 C530	D448-Q481 PolarHBondContact OD1-NE2 3.3Å; N479-Q481 PolarHBondContact O-N 2.8Å; N479-Q481 VanDerWaalsContact O-N 3.1Å; Q481-V524 WeakPolarHBondContact O-CG2 3.04Å; Q481-C530 HydrophobicContact CB-CB 4.01Å; Q481-C530 VanDerWaalsContact OE1-CA 3.32Å
482	C	95.1	Very high	86	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-103.8	8.1	-178.2	-57.7	0	0	0	0	113.3	N479 Y480 C536 Q539	N479-C482 PolarHBondContact O-N 3.45Å; Y480-C482 VanDerWaalsContact C-N 3.32Å; C482-C536 WeakPolarHBondContact CA-SG 3.41Å; C482-C536 HydrophobicContact CB-CB 3.65Å; C482-C536 WeakPolarHBondContact CB-SG 3.29Å; C482-C536 WeakPolarHBondContact SG-CA 2.98Å; C482-C536 WeakPolarHBondContact SG-CB 3.19Å; C482-C536 CovalentContact SG-SG 2.04Å; C482-C536 PolarHBondContact SG-SG 2.02Å; C482-Q539 WeakPolarHBondContact CB-O 3.43Å; C482-Q539 WeakPolarHBondContact O-CA 3.47Å; C482-Q539 WeakPolarHBondContact O-CB 3.06Å; C482-Q539 WeakPolarHBondContact O-CG 3.08Å
483	G	90.6	Very high	84.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-82.6	-134.6	178	0	0	0	0	0	113.3	R463 L523 V524	R463-G483 CarbonylContact O-C 3.6Å; R463-G483 VanDerWaalsContact O-CA 3.32Å; R463-G483 WeakPolarHBondContact O-CA 3.17Å; G483-L523 WeakPolarHBondContact O-CA 3.43Å; G483-V524 PolarHBondContact O-N 2.94Å
484	M	87.5	Confident	83	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	138.1	173.9	-74.7	-178.2	64	0	0	111.8	Y451 N455 R463 L519 T522 L523	Y451-M484 WeakPolarHBondContact CE1-O 3.11Å; N455-M484 PolarHBondContact ND2-N 3.16Å; N455-M484 PolarHBondContact ND2-O 3.21Å; R463-M484 HydrophobicContact CG-CG 3.88Å; R463-M484 HydrophobicContact CG-SD 3.69Å; R463-M484 PolarHBondContact O-N 2.91Å; M484-L519 WeakPolarHBondContact CE-O 3.25Å; M484-T522 WeakPolarHBondContact CA-O 3.47Å; M484-L523 HydrophobicContact CG-CD2 3.96Å
485	L	88.3	Confident	80.6	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	125.7	174.7	-179	73.2	0	0	0	109.9	R435 M445 L519 T522 V524	R435-L485 HydrophobicContact CB-CD2 3.96Å; R435-L485 HydrophobicContact CG-CD2 3.45Å; R435-L485 VanDerWaalsContact CG-CD2 3.45Å; M445-L485 HydrophobicContact CG-CD1 3.95Å; M445-L485 HydrophobicContact SD-CD1 4.21Å; L485-L519 HydrophobicContact CD2-CD1 4.01Å; L485-L519 HydrophobicContact CG-CD1 4.45Å; L485-T522 HydrophobicContact CB-CG2 4.15Å; L485-T522 HydrophobicContact CD2-CG2 3.86Å; L485-T522 PolarHBondContact N-O 3.49Å; L485-V524 HydrophobicContact CB-CG2 4.24Å; L485-V524 HydrophobicContact CD1-CG2 4.08Å
486	I	88.3	Confident	78.1	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	115.2	177.4	-52.3	175.8	0	0	0	107.3	A446 C450 Y451 Y454 A516 L518	A446-I486 HydrophobicContact CB-CB 4.02Å; A446-I486 HydrophobicContact CB-CG2 3.62Å; A446-I486 VanDerWaalsContact CB-O 3.25Å; A446-I486 WeakPolarHBondContact CB-O 3.39Å; A446-I486 PolarHBondContact N-O 3.11Å; C450-I486 HydrophobicContact CB-CG2 4.39Å; Y451-I486 HydrophobicContact CD1-CD1 4.36Å; Y451-I486 HydrophobicContact CD1-CG1 4.47Å; Y451-I486 HydrophobicContact CE1-CB 4.25Å; Y451-I486 HydrophobicContact CE1-CG1 4.24Å; Y451-I486 HydrophobicContact CE2-CB 4.16Å; Y451-I486 HydrophobicContact CG-CD1 4.44Å; Y451-I486 PolarHBondContact OH-N 3.26Å; Y451-I486 PolarHBondContact OH-O 3.34Å; Y454-I486 HydrophobicContact CD2-CD1 3.88Å; Y454-I486 HydrophobicContact CG-CD1 4.3Å; I486-A516 HydrophobicContact CG2-CB 3.8Å; I486-L518 HydrophobicContact CD1-CD2 4.28Å; I486-L518 HydrophobicContact CG1-CD2 4.1Å; I486-L518 HydrophobicContact CG2-CD2 3.98Å
487	C	86.9	Confident	75.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	151.3	177.7	-60.6	0	0	0	0	110.1	C436 F443 M444 A516 V517	C436-C487 WeakPolarHBondContact CA-SG 3.04Å; C436-C487 HydrophobicContact CB-CB 3.77Å; C436-C487 WeakPolarHBondContact CB-SG 3.22Å; C436-C487 WeakPolarHBondContact SG-CA 3.41Å; C436-C487 WeakPolarHBondContact SG-CB 3.02Å; C436-C487 CovalentContact SG-SG 2.04Å; C436-C487 PolarHBondContact SG-SG 3.26Å; F443-C487 HydrophobicContact CB-CB 4.27Å; F443-C487 HydrophobicContact CD2-CB 4.21Å; M444-C487 CarbonylContact O-C 3.55Å; M444-C487 VanDerWaalsContact O-CA 3.23Å; M444-C487 WeakPolarHBondContact O-CA 3.21Å; C487-A516 CarbonylContact O-C 3.58Å; C487-A516 VanDerWaalsContact O-CA 3.3Å; C487-A516 WeakPolarHBondContact O-CA 3.34Å; C487-V517 HydrophobicContact CB-CB 4.4Å; C487-V517 PolarHBondContact N-O 3.36Å; C487-V517 PolarHBondContact O-N 3.29Å
488	K	84.9	Confident	73.1	Confident	38 Å²	38	61.4 Å²	61.4	17%	0.165	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	160.7	166	68.7	176.9	169.1	173.4	0	110.6	F443 M444 M445 A446 D447 N515	F443-K488 CarbonylContact C-O 3.49Å; F443-K488 WeakPolarHBondContact CA-O 3.45Å; M444-K488 HydrophobicContact CG-CD 4.4Å; M444-K488 HydrophobicContact CG-CG 3.71Å; M444-K488 PolarHBondContact N-O 3.45Å; M444-K488 PolarHBondContact O-N 3.46Å; M445-K488 VanDerWaalsContact O-CE 3.27Å; M445-K488 WeakPolarHBondContact O-CE 3.24Å; A446-K488 HydrophobicContact CB-CB 4.26Å; D447-K488 IonicContact OD1-NZ 3.04Å; D447-K488 PolarHBondContact OD1-NZ 3.41Å; D447-K488 IonicContact OD2-NZ 2.66Å; D447-K488 PolarHBondContact OD2-NZ 2.96Å; K488-N515 WeakPolarHBondContact CA-O 3.32Å
489	R	78.5	Confident	70.5	Confident	40 Å²	40	58.4 Å²	58.4	15%	0.151	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	137.8	168.4	-85.7	-176.1	-100.2	-164.3	-1.3	111.2	F443 V491	F443-R489 HydrophobicContact CD1-CB 4.49Å; F443-R489 HydrophobicContact CD1-CG 3.53Å; F443-R489 HydrophobicContact CE1-CG 3.29Å; F443-R489 HydrophobicContact CZ-CG 4.36Å; R489-V491 VanDerWaalsContact C-N 3.33Å
490	K	76.5	Confident	68	Low	111 Å²	111	68.8 Å²	68.8	48%	0.483	37%	0.365	S	S	.	.	S	Bend	trans	-63.6	-37.1	171.3	-70	-178.3	177.3	-169.1	0	112.2	E442 M444	E442-K490 WeakPolarHBondContact O-CB 3.34Å; E442-K490 WeakPolarHBondContact O-CG 3.35Å; E442-K490 PolarHBondContact O-N 3.09Å; M444-K490 HydrophobicContact CB-CG 4.17Å; M444-K490 HydrophobicContact CG-CG 4.01Å; M444-K490 HydrophobicContact SD-CG 4.05Å
491	V	68.6	Low	65.4	Low	81 Å²	81	74 Å²	74	49%	0.491	40%	0.395	S	S	.	.	S	Bend	trans	-115.2	131.5	-177.6	-171.4	0	0	0	0	110.5	R489 L493	R489-V491 VanDerWaalsContact C-N 3.33Å; V491-L493 VanDerWaalsContact C-N 3.33Å; V491-L493 HydrophobicContact CB-CD1 4.46Å; V491-L493 HydrophobicContact CB-CG 4.46Å; V491-L493 HydrophobicContact CG1-CG 4.17Å; V491-L493 PolarHBondContact O-N 2.96Å
492	H	57.3	Low	63	Low	136 Å²	136	74.3 Å²	74.3	63%	0.63	40%	0.397	S	S	*	.			trans	-74.7	81.3	174.9	-157.5	86.6	0	0	0	109.9	Q494 N515	H492-Q494 PolarHBondContact O-N 3.18Å; H492-N515 PolarHBondContact ND1-ND2 3.39Å
493	L	48.8	Very low	60.6	Low	89 Å²	89	79.4 Å²	79.4	47%	0.466	42%	0.424	S	S	.	.			trans	-84.7	111.8	-177.7	-84.8	153.6	0	0	0	111.6	V491 G495	V491-L493 VanDerWaalsContact C-N 3.33Å; V491-L493 HydrophobicContact CB-CD1 4.46Å; V491-L493 HydrophobicContact CB-CG 4.46Å; V491-L493 HydrophobicContact CG1-CG 4.17Å; V491-L493 PolarHBondContact O-N 2.96Å; L493-G495 VanDerWaalsContact C-N 3.27Å; L493-G495 PolarHBondContact O-N 3.34Å
494	Q	40.7	Very low	58.4	Low	198 Å²	198	82.6 Å²	82.6	93%	0.925	44%	0.439	S	S	*	.			trans	-69	81.8	160.8	-68.2	-175.9	13.2	0	0	109.1	H492	H492-Q494 PolarHBondContact O-N 3.18Å
495	G	41.2	Very low	56.5	Low	51 Å²	51	84.3 Å²	84.3	53%	0.526	45%	0.449	S	S	.	.			trans	176.9	112.4	-180	0	0	0	0	0	114.7	L493 G497	L493-G495 VanDerWaalsContact C-N 3.27Å; L493-G495 PolarHBondContact O-N 3.34Å; G495-G497 PolarHBondContact O-N 3.49Å
496	T	38.8	Very low	54.4	Low	155 Å²	155	93.6 Å²	93.6	95%	0.951	49%	0.489	S	S	*	.			trans	-76.1	104.6	-178.5	51.3	0	0	0	0	111.3
497	G	40	Very low	52.2	Low	66 Å²	66	95.3 Å²	95.3	68%	0.68	50%	0.499	S	S	*	.			trans	-153.8	50.3	175.6	0	0	0	0	0	112.8	G495	G495-G497 PolarHBondContact O-N 3.49Å
498	L	43.2	Very low	50.1	Low	72 Å²	72	101 Å²	101	38%	0.377	53%	0.534	S	S	.	.	S	Bend	trans	-139.4	157.2	-177.4	-79.3	170.4	0	0	0	114	F504	L498-F504 HydrophobicContact CD1-CZ 4.43Å
499	P	40.3	Very low	47.9	Very low	82 Å²	82	106.3 Å²	106.3	53%	0.532	56%	0.564	S	S	.	*			trans	-61.6	140.4	-172.9	-19	31.6	0	0	0	112.5	D501	P499-D501 PolarHBondContact O-N 2.98Å
500	R	42.5	Very low	46.3	Very low	248 Å²	248	105.2 Å²	105.2	94%	0.936	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-9.4	-174.4	-80.1	-173.5	179.4	-157.8	-1.7	116
501	D	40.9	Very low	45	Very low	141 Å²	141	109 Å²	109	75%	0.754	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	2	-169.3	-57.6	-28.7	0	0	0	114.2	P499	P499-D501 PolarHBondContact O-N 2.98Å
502	L	43.6	Very low	44.5	Very low	44 Å²	44	109.7 Å²	109.7	23%	0.23	58%	0.581	C	S	.	*			trans	-106.7	115.3	179.4	-67.3	163.4	0	0	0	109.8	F504 V517 L519	L502-F504 HydrophobicContact CB-CD2 4.37Å; L502-F504 HydrophobicContact CB-CE2 3.8Å; L502-F504 HydrophobicContact CB-CZ 4.42Å; L502-F504 VanDerWaalsContact O-CD2 3.27Å; L502-F504 WeakPolarHBondContact O-CD2 3.31Å; L502-F504 PolarHBondContact O-N 2.03Å; L502-V517 HydrophobicContact CB-CG1 4.42Å; L502-V517 HydrophobicContact CD1-CG1 4.38Å; L502-V517 HydrophobicContact CD2-CG1 3.66Å; L502-V517 HydrophobicContact CG-CG1 4.36Å; L502-L519 HydrophobicContact CD2-CD2 3.89Å
503	N	44.9	Very low	44.9	Very low	107 Å²	107	103.3 Å²	103.3	57%	0.572	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.2	111.1	173.3	-79.9	-14.7	0	0	0	109.1
504	F	45.8	Very low	45.2	Very low	68 Å²	68	100.7 Å²	100.7	30%	0.298	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.5	169.5	-69.2	-93	0	0	0	108.6	L498 L502 K506 V517	L498-F504 HydrophobicContact CD1-CZ 4.43Å; L502-F504 HydrophobicContact CB-CD2 4.37Å; L502-F504 HydrophobicContact CB-CE2 3.8Å; L502-F504 HydrophobicContact CB-CZ 4.42Å; L502-F504 VanDerWaalsContact O-CD2 3.27Å; L502-F504 WeakPolarHBondContact O-CD2 3.31Å; L502-F504 PolarHBondContact O-N 2.03Å; F504-K506 PolarHBondContact O-N 3.06Å; F504-V517 HydrophobicContact CD1-CG2 4.07Å; F504-V517 HydrophobicContact CE1-CG2 3.34Å; F504-V517 HydrophobicContact CZ-CG2 3.81Å
505	T	47.1	Very low	46	Very low	39 Å²	39	93.1 Å²	93.1	24%	0.239	51%	0.506	C	S	.	.			trans	-80.1	107.3	169.4	39.1	0	0	0	0	109.1	Y454 D507 L518	Y454-T505 HydrophobicContact CE1-CG2 4.48Å; Y454-T505 WeakPolarHBondContact OH-CB 3.45Å; Y454-T505 PolarHBondContact OH-OG1 2.99Å; T505-D507 PolarHBondContact O-N 3.37Å; T505-L518 HydrophobicContact CG2-CD1 3.83Å
506	K	42.6	Very low	46.6	Very low	199 Å²	199	90.7 Å²	90.7	87%	0.865	48%	0.482	S	S	*	.			trans	-74.4	77.4	160.3	-86.7	-171.9	175.5	-176.3	0	107.8	F504 T508	F504-K506 PolarHBondContact O-N 3.06Å; K506-T508 PolarHBondContact O-N 2.87Å
507	D	43.2	Very low	47.5	Very low	37 Å²	37	83.3 Å²	83.3	20%	0.198	44%	0.436	C	S	.	.			trans	-85	102.9	169.8	-165.7	-4.9	0	0	0	109	K453 T505 N509	K453-D507 IonicContact NZ-OD2 3.69Å; K453-D507 PolarHBondContact NZ-OD2 3.44Å; T505-D507 PolarHBondContact O-N 3.37Å; D507-N509 PolarHBondContact O-N 3.34Å; D507-N509 PolarHBondContact OD1-N 3.34Å
508	T	42.2	Very low	48.2	Very low	120 Å²	120	80.5 Å²	80.5	74%	0.736	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.5	-174.9	46.6	0	0	0	0	113.7	K506	K506-T508 PolarHBondContact O-N 2.87Å
509	N	39.8	Very low	48.9	Very low	149 Å²	149	77.9 Å²	77.9	80%	0.797	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-10.7	-172.4	-73.4	-0	0	0	0	114.4	D507	D507-N509 PolarHBondContact O-N 3.34Å; D507-N509 PolarHBondContact OD1-N 3.34Å
510	A	44.1	Very low	49.5	Very low	17 Å²	17	78.4 Å²	78.4	14%	0.14	39%	0.39	C	S	.	.			trans	-130.8	90.7	179.1	0	0	0	0	0	108.9	F449 N512 C513 S514	F449-A510 HydrophobicContact CE1-CB 4.02Å; A510-N512 PolarHBondContact O-N 2.72Å; A510-C513 PolarHBondContact O-N 2.91Å; A510-C513 VanDerWaalsContact O-N 3.11Å; A510-S514 PolarHBondContact O-OG 3.06Å
511	F	50.2	Low	50.2	Low	189 Å²	189	73.6 Å²	73.6	83%	0.829	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-40.5	-31.5	174.2	-85	-93	0	0	0	112.8	S514	F511-S514 PolarHBondContact O-OG 2.92Å
512	N	58.3	Low	51.7	Low	97 Å²	97	68.5 Å²	68.5	52%	0.519	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-68.5	-29.5	-175.4	-63.8	2.7	0	0	0	116.2	F449 C450 A510	F449-N512 HydrophobicContact CD1-CB 4.04Å; C450-N512 PolarHBondContact SG-O 2.97Å; A510-N512 PolarHBondContact O-N 2.72Å
513	C	64.6	Low	53.5	Low	1 Å²	1	69.2 Å²	69.2	1%	0.007	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-111.8	3.1	-178.5	-58.5	0	0	0	0	115	C450 Y454 A510 N515 A516	C450-C513 WeakPolarHBondContact CA-SG 3.21Å; C450-C513 HydrophobicContact CB-CB 4.22Å; C450-C513 WeakPolarHBondContact CB-SG 3.49Å; C450-C513 WeakPolarHBondContact SG-CA 3.4Å; C450-C513 WeakPolarHBondContact SG-CB 3Å; C450-C513 CovalentContact SG-SG 2.05Å; C450-C513 PolarHBondContact SG-SG 3.26Å; Y454-C513 HydrophobicContact CE2-CB 4.19Å; A510-C513 PolarHBondContact O-N 2.91Å; A510-C513 VanDerWaalsContact O-N 3.11Å; C513-N515 PolarHBondContact O-N 2.86Å; C513-A516 HydrophobicContact CB-CB 4.35Å; C513-A516 WeakPolarHBondContact O-CB 3.37Å; C513-A516 PolarHBondContact O-N 3.26Å
514	S	55.4	Low	55.7	Low	34 Å²	34	64.2 Å²	64.2	24%	0.238	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-25.2	-176.5	-35.2	0	0	0	0	114.3	A510 F511	A510-S514 PolarHBondContact O-OG 3.06Å; F511-S514 PolarHBondContact O-OG 2.92Å
515	N	57.1	Low	57.8	Low	39 Å²	39	64.8 Å²	64.8	21%	0.209	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	8.8	-179.4	-74.6	-16.2	0	0	0	113.6	K488 H492 C513 V517	K488-N515 WeakPolarHBondContact CA-O 3.32Å; H492-N515 PolarHBondContact ND1-ND2 3.39Å; C513-N515 PolarHBondContact O-N 2.86Å; N515-V517 PolarHBondContact O-N 3.05Å
516	A	54.9	Low	59.9	Low	1 Å²	1	65 Å²	65	1%	0.008	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.8	-179.4	0	0	0	0	0	110.9	I486 C487 C513	I486-A516 HydrophobicContact CG2-CB 3.8Å; C487-A516 CarbonylContact O-C 3.58Å; C487-A516 VanDerWaalsContact O-CA 3.3Å; C487-A516 WeakPolarHBondContact O-CA 3.34Å; C513-A516 HydrophobicContact CB-CB 4.35Å; C513-A516 WeakPolarHBondContact O-CB 3.37Å; C513-A516 PolarHBondContact O-N 3.26Å
517	V	57	Low	62.3	Low	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	107.6	173.3	179.8	0	0	0	0	106.6	F443 C487 L502 F504 N515 L519	F443-V517 HydrophobicContact CD2-CG2 4.33Å; F443-V517 HydrophobicContact CE2-CB 4.23Å; F443-V517 HydrophobicContact CE2-CG1 4.11Å; F443-V517 HydrophobicContact CE2-CG2 3.71Å; F443-V517 HydrophobicContact CZ-CG2 3.83Å; C487-V517 HydrophobicContact CB-CB 4.4Å; C487-V517 PolarHBondContact N-O 3.36Å; C487-V517 PolarHBondContact O-N 3.29Å; L502-V517 HydrophobicContact CB-CG1 4.42Å; L502-V517 HydrophobicContact CD1-CG1 4.38Å; L502-V517 HydrophobicContact CD2-CG1 3.66Å; L502-V517 HydrophobicContact CG-CG1 4.36Å; F504-V517 HydrophobicContact CD1-CG2 4.07Å; F504-V517 HydrophobicContact CE1-CG2 3.34Å; F504-V517 HydrophobicContact CZ-CG2 3.81Å; N515-V517 PolarHBondContact O-N 3.05Å; V517-L519 HydrophobicContact CG1-CD2 4.12Å; V517-L519 HydrophobicContact CG1-CG 4.4Å; V517-L519 PolarHBondContact O-N 2.93Å
518	L	55.5	Low	64.8	Low	7 Å²	7	54.1 Å²	54.1	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	110.5	178.7	-61.2	168.2	0	0	0	108.3	Y454 V461 I486 T505 N520	Y454-L518 HydrophobicContact CD2-CD2 4.14Å; Y454-L518 HydrophobicContact CE1-CD1 4.4Å; Y454-L518 HydrophobicContact CE2-CD2 4.37Å; Y454-L518 HydrophobicContact CG-CD2 4.32Å; V461-L518 HydrophobicContact CB-CD1 3.8Å; V461-L518 HydrophobicContact CG1-CD1 3.86Å; V461-L518 WeakPolarHBondContact O-CD2 3.37Å; I486-L518 HydrophobicContact CD1-CD2 4.28Å; I486-L518 HydrophobicContact CG1-CD2 4.1Å; I486-L518 HydrophobicContact CG2-CD2 3.98Å; T505-L518 HydrophobicContact CG2-CD1 3.83Å; L518-N520 PolarHBondContact O-N 3.4Å
519	L	56.4	Low	67.3	Low	17 Å²	17	52.3 Å²	52.3	9%	0.089	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	109.7	-179.4	-62.8	161.1	0	0	0	107.9	I439 M484 L485 L502 V517 F521 T522	I439-L519 HydrophobicContact CD1-CD1 3.15Å; I439-L519 HydrophobicContact CD1-CD2 3.87Å; I439-L519 HydrophobicContact CD1-CG 4.13Å; I439-L519 HydrophobicContact CG2-CD2 4.4Å; M484-L519 WeakPolarHBondContact CE-O 3.25Å; L485-L519 HydrophobicContact CD2-CD1 4.01Å; L485-L519 HydrophobicContact CG-CD1 4.45Å; L502-L519 HydrophobicContact CD2-CD2 3.89Å; V517-L519 HydrophobicContact CG1-CD2 4.12Å; V517-L519 HydrophobicContact CG1-CG 4.4Å; V517-L519 PolarHBondContact O-N 2.93Å; L519-F521 PolarHBondContact O-N 3Å; L519-T522 PolarHBondContact O-N 2.94Å
520	N	53.6	Low	69.9	Low	93 Å²	93	45.2 Å²	45.2	50%	0.497	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	116.5	173.5	-75.3	-16.4	0	0	0	108.6	L518	L518-N520 PolarHBondContact O-N 3.4Å
521	F	57.6	Low	72.2	Confident	147 Å²	147	46.6 Å²	46.6	65%	0.645	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	79.2	5.3	171.9	-45	-81.6	0	0	0	118.7	L519	L519-F521 PolarHBondContact O-N 3Å
522	T	71.7	Confident	74.1	Confident	33 Å²	33	43 Å²	43	20%	0.202	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.8	174.1	-49.2	0	0	0	0	110	M484 L485 L519	M484-T522 WeakPolarHBondContact CA-O 3.47Å; L485-T522 HydrophobicContact CB-CG2 4.15Å; L485-T522 HydrophobicContact CD2-CG2 3.86Å; L485-T522 PolarHBondContact N-O 3.49Å; L519-T522 PolarHBondContact O-N 2.94Å
523	L	82.4	Confident	75.7	Confident	59 Å²	59	41.3 Å²	41.3	31%	0.309	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	161.1	173.1	-61.1	175.4	0	0	0	110.7	G483 M484 Q539	G483-L523 WeakPolarHBondContact O-CA 3.43Å; M484-L523 HydrophobicContact CG-CD2 3.96Å; L523-Q539 HydrophobicContact CD1-CG 4.02Å
524	V	90.4	Very high	77.2	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.018	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-64.5	137.3	168.5	174.3	0	0	0	0	108.8	M445 Y451 Q481 G483 L485 T528 C536	M445-V524 HydrophobicContact CE-CG2 4.47Å; Y451-V524 HydrophobicContact CE1-CG2 3.85Å; Q481-V524 WeakPolarHBondContact O-CG2 3.04Å; G483-V524 PolarHBondContact O-N 2.94Å; L485-V524 HydrophobicContact CB-CG2 4.24Å; L485-V524 HydrophobicContact CD1-CG2 4.08Å; V524-T528 HydrophobicContact CG1-CG2 3.74Å; V524-C536 HydrophobicContact CG1-CB 4.4Å
525	E	90.3	Very high	79.1	Confident	79 Å²	79	39.8 Å²	39.8	37%	0.369	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-75.6	143.4	-178	-171.4	172.2	170.3	0	0	109.9	T528	E525-T528 WeakPolarHBondContact O-CB 3.02Å; E525-T528 PolarHBondContact O-N 3.42Å; E525-T528 PolarHBondContact O-OG1 2.03Å
526	D	91.1	Very high	81	Confident	45 Å²	45	37.9 Å²	37.9	24%	0.241	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	150.9	176.4	-63	-30.7	0	0	0	111	Y425 T528 C536 E537 E538	Y425-D526 HydrophobicContact CD1-CB 4.06Å; Y425-D526 HydrophobicContact CE1-CB 3.41Å; Y425-D526 VanDerWaalsContact CE1-CB 3.41Å; D526-T528 PolarHBondContact O-N 2.81Å; D526-C536 CarbonylContact C-O 3.54Å; D526-C536 WeakPolarHBondContact CA-O 3.25Å; D526-C536 WeakPolarHBondContact CB-O 3.45Å; D526-E537 WeakPolarHBondContact OD1-CA 3.39Å; D526-E538 PolarHBondContact OD1-N 2.03Å
527	G	93	Very high	82.7	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-11.8	-168.3	0	0	0	0	0	114.8	Y425 K529 C536	Y425-G527 VanDerWaalsContact CB-CA 3.42Å; Y425-G527 VanDerWaalsContact CG-CA 3.47Å; G527-K529 PolarHBondContact O-N 3.32Å; G527-C536 PolarHBondContact N-O 2.88Å
528	T	95	Very high	84.1	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.043	25%	0.253	C	S	.	.			trans	-63.7	130	176.2	-58.2	0	0	0	0	110	A432 M445 V524 E525 D526 C530 L535 C536	A432-T528 HydrophobicContact CB-CG2 3.94Å; M445-T528 HydrophobicContact CE-CG2 4.33Å; M445-T528 HydrophobicContact SD-CG2 4.06Å; V524-T528 HydrophobicContact CG1-CG2 3.74Å; E525-T528 WeakPolarHBondContact O-CB 3.02Å; E525-T528 PolarHBondContact O-N 3.42Å; E525-T528 PolarHBondContact O-OG1 2.03Å; D526-T528 PolarHBondContact O-N 2.81Å; T528-C530 PolarHBondContact O-N 3.46Å; T528-L535 CarbonylContact O-C 3.55Å; T528-L535 VanDerWaalsContact O-CA 3.31Å; T528-L535 WeakPolarHBondContact O-CA 3.41Å; T528-C536 PolarHBondContact O-N 2.86Å; T528-C536 PolarHBondContact O-SG 2.8Å
529	K	94.8	Very high	85.6	Confident	81 Å²	81	48.8 Å²	48.8	35%	0.352	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	135.8	177.5	175.6	168.3	177.7	-180	0	112.2	D421 Y423 G527 G534	D421-K529 WeakPolarHBondContact O-CD 3.45Å; D421-K529 PolarHBondContact O-NZ 3.02Å; D421-K529 VanDerWaalsContact O-NZ 3.11Å; Y423-K529 HydrophobicContact CD2-CB 4.23Å; Y423-K529 HydrophobicContact CD2-CG 4.47Å; Y423-K529 HydrophobicContact CE2-CB 4.32Å; Y423-K529 HydrophobicContact CE2-CD 4.2Å; Y423-K529 HydrophobicContact CE2-CG 4.06Å; G527-K529 PolarHBondContact O-N 3.32Å; K529-G534 WeakPolarHBondContact CA-O 3.35Å
530	C	94.8	Very high	87.3	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.007	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147.7	172.1	62.6	0	0	0	0	109.9	Q481 T528 G534 L535 C541	Q481-C530 HydrophobicContact CB-CB 4.01Å; Q481-C530 VanDerWaalsContact OE1-CA 3.32Å; T528-C530 PolarHBondContact O-N 3.46Å; C530-G534 PolarHBondContact N-O 2.78Å; C530-G534 CarbonylContact O-C 3.5Å; C530-G534 VanDerWaalsContact O-C 3.23Å; C530-G534 VanDerWaalsContact O-CA 3.22Å; C530-G534 WeakPolarHBondContact O-CA 3.33Å; C530-G534 PolarHBondContact O-N 3.43Å; C530-L535 VanDerWaalsContact SG-CA 3.57Å; C530-L535 PolarHBondContact SG-N 3.27Å; C530-L535 VanDerWaalsContact SG-N 3.37Å; C530-C541 HydrophobicContact CB-CB 3.92Å; C530-C541 WeakPolarHBondContact CB-SG 3.42Å; C530-C541 WeakPolarHBondContact SG-CA 3.33Å; C530-C541 WeakPolarHBondContact SG-CB 3.34Å; C530-C541 CovalentContact SG-SG 2.03Å; C530-C541 PolarHBondContact SG-SG 3.31Å
531	G	91.8	Very high	89.3	Confident	45 Å²	45	45.6 Å²	45.6	46%	0.464	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	-156	-175.4	0	0	0	0	0	112.8
532	S	90.4	Very high	91.1	Very high	115 Å²	115	39.9 Å²	39.9	80%	0.804	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-36	176.8	49.3	0	0	0	0	113.1
533	N	92.7	Very high	92.3	Very high	60 Å²	60	40.1 Å²	40.1	32%	0.321	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140	49.6	-176.1	-165.6	33.8	0	0	0	112.5	Y423 S543 A544 D545	Y423-N533 PolarHBondContact OH-OD1 2.86Å; Y423-N533 VanDerWaalsContact OH-OD1 3.08Å; N533-S543 WeakPolarHBondContact O-CA 3.32Å; N533-A544 PolarHBondContact O-N 2.66Å; N533-D545 PolarHBondContact ND2-OD1 3.38Å; N533-D545 PolarHBondContact ND2-OD2 3.48Å
534	G	95.2	Very high	92.9	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	166	-179.5	0	0	0	0	0	114.5	Y423 K529 C530 V542	Y423-G534 WeakPolarHBondContact CE2-O 3.28Å; K529-G534 WeakPolarHBondContact CA-O 3.35Å; C530-G534 PolarHBondContact N-O 2.78Å; C530-G534 CarbonylContact O-C 3.5Å; C530-G534 VanDerWaalsContact O-C 3.23Å; C530-G534 VanDerWaalsContact O-CA 3.22Å; C530-G534 WeakPolarHBondContact O-CA 3.33Å; C530-G534 PolarHBondContact O-N 3.43Å; G534-V542 CarbonylContact C-O 3.49Å; G534-V542 WeakPolarHBondContact CA-O 3.33Å
535	L	95.7	Very high	93	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.1	173.4	56.5	151.2	0	0	0	110.4	Y423 Y425 T528 C530 V542 A544 M547	Y423-L535 HydrophobicContact CD2-CB 4.15Å; Y423-L535 HydrophobicContact CD2-CD2 4.39Å; Y423-L535 HydrophobicContact CG-CD2 4.4Å; Y425-L535 HydrophobicContact CD2-CD1 3.61Å; Y425-L535 HydrophobicContact CE2-CD1 4.19Å; T528-L535 CarbonylContact O-C 3.55Å; T528-L535 VanDerWaalsContact O-CA 3.31Å; T528-L535 WeakPolarHBondContact O-CA 3.41Å; C530-L535 VanDerWaalsContact SG-CA 3.57Å; C530-L535 PolarHBondContact SG-N 3.27Å; C530-L535 VanDerWaalsContact SG-N 3.37Å; L535-V542 PolarHBondContact N-O 3.23Å; L535-V542 PolarHBondContact O-N 2.91Å; L535-A544 HydrophobicContact CD2-CB 3.91Å; L535-M547 HydrophobicContact CD1-CE 4.01Å; L535-M547 HydrophobicContact CD1-CG 4.3Å; L535-M547 HydrophobicContact CD2-CG 3.8Å; L535-M547 HydrophobicContact CG-CE 4.14Å; L535-M547 HydrophobicContact CG-CG 4.27Å
536	C	95.6	Very high	93.1	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.5	177.6	-63.1	0	0	0	0	111	C482 V524 D526 G527 T528 A540	C482-C536 WeakPolarHBondContact CA-SG 3.41Å; C482-C536 HydrophobicContact CB-CB 3.65Å; C482-C536 WeakPolarHBondContact CB-SG 3.29Å; C482-C536 WeakPolarHBondContact SG-CA 2.98Å; C482-C536 WeakPolarHBondContact SG-CB 3.19Å; C482-C536 CovalentContact SG-SG 2.04Å; C482-C536 PolarHBondContact SG-SG 2.02Å; V524-C536 HydrophobicContact CG1-CB 4.4Å; D526-C536 CarbonylContact C-O 3.54Å; D526-C536 WeakPolarHBondContact CA-O 3.25Å; D526-C536 WeakPolarHBondContact CB-O 3.45Å; G527-C536 PolarHBondContact N-O 2.88Å; T528-C536 PolarHBondContact O-N 2.86Å; T528-C536 PolarHBondContact O-SG 2.8Å; C536-A540 CarbonylContact C-O 3.53Å; C536-A540 WeakPolarHBondContact CA-O 3.48Å
537	E	91.5	Very high	93	Very high	31 Å²	31	39 Å²	39	15%	0.145	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	123.7	168.7	178.9	175.2	-102.2	0	0	107.3	Y425 D526 Q539 A540 V542 M547 R550	Y425-E537 PolarHBondContact OH-OE1 2.87Å; D526-E537 WeakPolarHBondContact OD1-CA 3.39Å; E537-Q539 PolarHBondContact O-N 3.28Å; E537-A540 PolarHBondContact N-O 3.09Å; E537-A540 WeakPolarHBondContact O-CB 3.33Å; E537-A540 PolarHBondContact O-N 3.38Å; E537-V542 HydrophobicContact CB-CG2 4.14Å; E537-M547 HydrophobicContact CB-CE 3.66Å; E537-M547 HydrophobicContact CG-CE 4.13Å; E537-M547 WeakPolarHBondContact OE1-CE 3.24Å; E537-M547 WeakPolarHBondContact OE2-CE 3.03Å; E537-R550 IonicContact OE1-CZ 3.51Å; E537-R550 IonicContact OE1-NH1 3.08Å; E537-R550 PolarHBondContact OE1-NH1 2.85Å; E537-R550 IonicContact OE1-NH2 3.44Å; E537-R550 IonicContact OE2-CZ 2.66Å; E537-R550 IonicContact OE2-NH1 2.69Å; E537-R550 PolarHBondContact OE2-NH1 2.64Å; E537-R550 IonicContact OE2-NH2 3.59Å; E537-R550 PolarHBondContact OE2-NH2 3.22Å
538	E	86.6	Confident	92.8	Very high	158 Å²	158	42.2 Å²	42.2	74%	0.738	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	42.6	-178.7	-60.3	-173.7	169.2	0	0	112.9	D526 A540	D526-E538 PolarHBondContact OD1-N 2.03Å; E538-A540 PolarHBondContact O-N 3.29Å; E538-A540 VanDerWaalsContact O-N 3.14Å
539	Q	87.2	Confident	92.5	Very high	47 Å²	47	50.2 Å²	50.2	22%	0.22	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	14.5	-177.6	-63.4	66.5	70.8	0	0	114.8	C464 C482 L523 E537	C464-Q539 WeakPolarHBondContact O-CG 3.29Å; C464-Q539 PolarHBondContact SG-O 3.32Å; C464-Q539 VanDerWaalsContact SG-O 3.42Å; C482-Q539 WeakPolarHBondContact CB-O 3.43Å; C482-Q539 WeakPolarHBondContact O-CA 3.47Å; C482-Q539 WeakPolarHBondContact O-CB 3.06Å; C482-Q539 WeakPolarHBondContact O-CG 3.08Å; L523-Q539 HydrophobicContact CD1-CG 4.02Å; E537-Q539 PolarHBondContact O-N 3.28Å
540	A	92	Very high	92	Very high	30 Å²	30	52.9 Å²	52.9	25%	0.248	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143.1	170.3	0	0	0	0	0	111.1	C536 E537 E538 V542	C536-A540 CarbonylContact C-O 3.53Å; C536-A540 WeakPolarHBondContact CA-O 3.48Å; E537-A540 PolarHBondContact N-O 3.09Å; E537-A540 WeakPolarHBondContact O-CB 3.33Å; E537-A540 PolarHBondContact O-N 3.38Å; E538-A540 PolarHBondContact O-N 3.29Å; E538-A540 VanDerWaalsContact O-N 3.14Å; A540-V542 HydrophobicContact CB-CG2 4.34Å; A540-V542 PolarHBondContact O-N 3.42Å
541	C	96.1	Very high	91.5	Very high	14 Å²	14	54.1 Å²	54.1	10%	0.095	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	103.8	171	-173.2	0	0	0	0	109.4	K478 N479 C530	K478-C541 WeakPolarHBondContact CE-O 2.96Å; K478-C541 WeakPolarHBondContact O-CB 2.96Å; N479-C541 PolarHBondContact OD1-N 2.77Å; C530-C541 HydrophobicContact CB-CB 3.92Å; C530-C541 WeakPolarHBondContact CB-SG 3.42Å; C530-C541 WeakPolarHBondContact SG-CA 3.33Å; C530-C541 WeakPolarHBondContact SG-CB 3.34Å; C530-C541 CovalentContact SG-SG 2.03Å; C530-C541 PolarHBondContact SG-SG 3.31Å
542	V	95.7	Very high	91	Very high	27 Å²	27	55.5 Å²	55.5	16%	0.164	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	142.6	-177.3	-174.3	0	0	0	0	109.5	G534 L535 E537 A540 M547	G534-V542 CarbonylContact C-O 3.49Å; G534-V542 WeakPolarHBondContact CA-O 3.33Å; L535-V542 PolarHBondContact N-O 3.23Å; L535-V542 PolarHBondContact O-N 2.91Å; E537-V542 HydrophobicContact CB-CG2 4.14Å; A540-V542 HydrophobicContact CB-CG2 4.34Å; A540-V542 PolarHBondContact O-N 3.42Å; V542-M547 HydrophobicContact CB-CE 3.72Å; V542-M547 HydrophobicContact CB-SD 4.25Å; V542-M547 HydrophobicContact CG1-CE 3.81Å; V542-M547 HydrophobicContact CG1-CG 4.23Å; V542-M547 HydrophobicContact CG1-SD 3.65Å; V542-M547 HydrophobicContact CG2-CE 4.19Å
543	S	95.8	Very high	90.5	Very high	37 Å²	37	50.8 Å²	50.8	26%	0.259	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	133.4	178.6	149.1	0	0	0	0	110.5	N533 D545 T546 M547	N533-S543 WeakPolarHBondContact O-CA 3.32Å; S543-D545 VanDerWaalsContact C-N 3.3Å; S543-D545 PolarHBondContact O-N 3.15Å; S543-D545 PolarHBondContact OG-N 3.15Å; S543-T546 WeakPolarHBondContact CB-OG1 3.46Å; S543-T546 WeakPolarHBondContact O-CB 3.49Å; S543-T546 PolarHBondContact O-N 3.29Å; S543-T546 PolarHBondContact OG-N 3.31Å; S543-T546 PolarHBondContact OG-OG1 2.81Å; S543-M547 PolarHBondContact O-N 2.9Å; S543-M547 VanDerWaalsContact O-N 3.09Å
544	A	94.4	Very high	89.4	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-40.8	177.4	0	0	0	0	0	111.6	Y423 N533 L535 T546 M547 L548	Y423-A544 HydrophobicContact CD1-CB 4.26Å; Y423-A544 HydrophobicContact CE1-CB 3.69Å; N533-A544 PolarHBondContact O-N 2.66Å; L535-A544 HydrophobicContact CD2-CB 3.91Å; A544-T546 PolarHBondContact O-N 3.11Å; A544-M547 WeakPolarHBondContact O-CB 3.37Å; A544-M547 PolarHBondContact O-N 2.99Å; A544-L548 WeakPolarHBondContact O-CG 3.44Å; A544-L548 PolarHBondContact O-N 3.36Å
545	D	92.7	Very high	87.6	Confident	84 Å²	84	51.6 Å²	51.6	45%	0.449	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-34.6	175	-47.3	-30.1	0	0	0	112.3	N533 S543 K549	N533-D545 PolarHBondContact ND2-OD1 3.38Å; N533-D545 PolarHBondContact ND2-OD2 3.48Å; S543-D545 VanDerWaalsContact C-N 3.3Å; S543-D545 PolarHBondContact O-N 3.15Å; S543-D545 PolarHBondContact OG-N 3.15Å; D545-K549 VanDerWaalsContact O-CG 3.28Å; D545-K549 WeakPolarHBondContact O-CG 3.42Å; D545-K549 PolarHBondContact O-N 3.47Å; D545-K549 VanDerWaalsContact O-N 3.17Å
546	T	92	Very high	85.7	Confident	76 Å²	76	61.2 Å²	61.2	47%	0.466	32%	0.322	S	S	.	.	H	α-helix	trans	-70.1	-36.1	176.6	-53.1	0	0	0	0	111.1	S543 A544	S543-T546 WeakPolarHBondContact CB-OG1 3.46Å; S543-T546 WeakPolarHBondContact O-CB 3.49Å; S543-T546 PolarHBondContact O-N 3.29Å; S543-T546 PolarHBondContact OG-N 3.31Å; S543-T546 PolarHBondContact OG-OG1 2.81Å; A544-T546 PolarHBondContact O-N 3.11Å
547	M	90.1	Very high	83.7	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-66.2	-46.7	173.6	-60.8	-55.1	-146	0	0	111.4	D412 L535 E537 V542 S543 A544 K549 R550	D412-M547 WeakPolarHBondContact O-CB 3.07Å; L535-M547 HydrophobicContact CD1-CE 4.01Å; L535-M547 HydrophobicContact CD1-CG 4.3Å; L535-M547 HydrophobicContact CD2-CG 3.8Å; L535-M547 HydrophobicContact CG-CE 4.14Å; L535-M547 HydrophobicContact CG-CG 4.27Å; E537-M547 HydrophobicContact CB-CE 3.66Å; E537-M547 HydrophobicContact CG-CE 4.13Å; E537-M547 WeakPolarHBondContact OE1-CE 3.24Å; E537-M547 WeakPolarHBondContact OE2-CE 3.03Å; V542-M547 HydrophobicContact CB-CE 3.72Å; V542-M547 HydrophobicContact CB-SD 4.25Å; V542-M547 HydrophobicContact CG1-CE 3.81Å; V542-M547 HydrophobicContact CG1-CG 4.23Å; V542-M547 HydrophobicContact CG1-SD 3.65Å; V542-M547 HydrophobicContact CG2-CE 4.19Å; S543-M547 PolarHBondContact O-N 2.9Å; S543-M547 VanDerWaalsContact O-N 3.09Å; A544-M547 WeakPolarHBondContact O-CB 3.37Å; A544-M547 PolarHBondContact O-N 2.99Å; M547-K549 PolarHBondContact O-N 3.16Å; M547-R550 WeakPolarHBondContact O-CB 3.25Å; M547-R550 WeakPolarHBondContact O-CG 3.22Å; M547-R550 PolarHBondContact O-N 2.83Å; M547-R550 PolarHBondContact SD-NH1 2.76Å; M547-R550 PolarHBondContact SD-NH2 2.87Å
548	L	89.8	Confident	82	Confident	67 Å²	67	74 Å²	74	35%	0.351	39%	0.386	S	S	.	.	H	α-helix	trans	-60.5	-33.6	-179.7	-70.1	174.1	0	0	0	112.5	P411 A544 R550 V551	P411-L548 HydrophobicContact CB-CD2 3.88Å; A544-L548 WeakPolarHBondContact O-CG 3.44Å; A544-L548 PolarHBondContact O-N 3.36Å; L548-R550 PolarHBondContact O-N 2.9Å; L548-V551 PolarHBondContact O-N 2.05Å
549	K	87.1	Confident	80.4	Confident	175 Å²	175	76 Å²	76	76%	0.761	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.1	175.1	-74.7	175.3	-177.2	-174	0	114.8	D545 M547 V551	D545-K549 VanDerWaalsContact O-CG 3.28Å; D545-K549 WeakPolarHBondContact O-CG 3.42Å; D545-K549 PolarHBondContact O-N 3.47Å; D545-K549 VanDerWaalsContact O-N 3.17Å; M547-K549 PolarHBondContact O-N 3.16Å; K549-V551 PolarHBondContact O-N 2.84Å
550	R	84.8	Confident	78.8	Confident	138 Å²	138	78.9 Å²	78.9	52%	0.521	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-17	173.2	-63.8	179.3	176.2	173.8	0.1	111.8	E537 M547 L548	E537-R550 IonicContact OE1-CZ 3.51Å; E537-R550 IonicContact OE1-NH1 3.08Å; E537-R550 PolarHBondContact OE1-NH1 2.85Å; E537-R550 IonicContact OE1-NH2 3.44Å; E537-R550 IonicContact OE2-CZ 2.66Å; E537-R550 IonicContact OE2-NH1 2.69Å; E537-R550 PolarHBondContact OE2-NH1 2.64Å; E537-R550 IonicContact OE2-NH2 3.59Å; E537-R550 PolarHBondContact OE2-NH2 3.22Å; M547-R550 WeakPolarHBondContact O-CB 3.25Å; M547-R550 WeakPolarHBondContact O-CG 3.22Å; M547-R550 PolarHBondContact O-N 2.83Å; M547-R550 PolarHBondContact SD-NH1 2.76Å; M547-R550 PolarHBondContact SD-NH2 2.87Å; L548-R550 PolarHBondContact O-N 2.9Å
551	V	84.2	Confident	77.4	Confident	26 Å²	26	79 Å²	79	16%	0.158	42%	0.419	C	S	.	.	S	Bend	trans	-113.4	135.7	179.5	-173.3	0	0	0	0	109	P411 L548 K549 C570 T571 N574	P411-V551 HydrophobicContact CB-CB 4.32Å; P411-V551 HydrophobicContact CB-CG2 3.87Å; P411-V551 HydrophobicContact CG-CB 4.15Å; P411-V551 HydrophobicContact CG-CG1 4.1Å; P411-V551 HydrophobicContact CG-CG2 4.05Å; L548-V551 PolarHBondContact O-N 2.05Å; K549-V551 PolarHBondContact O-N 2.84Å; V551-C570 WeakPolarHBondContact CG1-SG 3.44Å; V551-T571 WeakPolarHBondContact CG1-O 3.37Å; V551-N574 VanDerWaalsContact CA-OD1 3.27Å; V551-N574 WeakPolarHBondContact CA-OD1 3.42Å; V551-N574 WeakPolarHBondContact CG1-OD1 3.15Å
552	S	81.5	Confident	76.5	Confident	75 Å²	75	84 Å²	84	52%	0.524	44%	0.444	S	S	.	.			trans	-127.9	123.1	178.5	-170.9	0	0	0	0	110.4	N574	S552-N574 PolarHBondContact N-OD1 3.06Å; S552-N574 WeakPolarHBondContact O-CB 3.32Å
553	C	80.6	Confident	75.9	Confident	15 Å²	15	86.2 Å²	86.2	10%	0.101	46%	0.459	C	S	.	.			trans	-129.8	36.2	175.5	-65.8	0	0	0	0	111.3	C564 C570 T575	C553-C564 PolarHBondContact O-N 2.65Å; C553-C570 HydrophobicContact CB-CB 3.66Å; C553-C570 WeakPolarHBondContact CB-SG 2.99Å; C553-C570 VanDerWaalsContact SG-CA 3.54Å; C553-C570 WeakPolarHBondContact SG-CB 3.02Å; C553-C570 CovalentContact SG-SG 2.02Å; C553-C570 PolarHBondContact SG-SG 3.19Å; C553-T575 PolarHBondContact SG-O 3Å; C553-T575 VanDerWaalsContact SG-O 3.38Å
554	S	68.3	Low	75.4	Confident	71 Å²	71	84.5 Å²	84.5	50%	0.497	45%	0.447	S	S	.	.			trans	-63.7	141.4	178.3	-55.7	0	0	0	0	111.1
555	G	58.6	Low	75.1	Confident	10 Å²	10	86.9 Å²	86.9	10%	0.103	46%	0.46	C	S	.	.			trans	-68.2	166	163.8	0	0	0	0	0	110.4	D557 S561	G555-D557 PolarHBondContact O-N 3.17Å; G555-S561 WeakPolarHBondContact CA-OG 3.27Å; G555-S561 PolarHBondContact N-OG 2.72Å
556	E	54.3	Low	74.8	Confident	201 Å²	201	84.9 Å²	84.9	94%	0.939	46%	0.459	S	S	*	.	S	Bend	trans	-52.6	-22.6	-175.6	-64	-175.4	159.2	0	0	113.8
557	D	54.4	Low	74.7	Confident	116 Å²	116	84.1 Å²	84.1	62%	0.62	45%	0.45	S	S	*	.			trans	-100.9	97.8	177	-61.9	-41.3	0	0	0	111.8	G555 E559 S561	G555-D557 PolarHBondContact O-N 3.17Å; D557-E559 PolarHBondContact O-N 2.75Å; D557-E559 VanDerWaalsContact O-N 3.09Å; D557-S561 PolarHBondContact O-N 3.08Å; D557-S561 PolarHBondContact O-OG 2.78Å
558	E	55.3	Low	74.6	Confident	185 Å²	185	84.9 Å²	84.9	86%	0.864	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.3	-177.5	-76.7	-170.6	152.6	0	0	115
559	E	53.7	Low	74.6	Confident	199 Å²	199	84 Å²	84	93%	0.93	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-14.9	-169.4	-103.1	178.1	165.6	0	0	115.4	D557	D557-E559 PolarHBondContact O-N 2.75Å; D557-E559 VanDerWaalsContact O-N 3.09Å
560	S	53.4	Low	74.7	Confident	107 Å²	107	76.7 Å²	76.7	75%	0.748	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.5	-5.3	-174.5	57.8	0	0	0	0	116.9
561	S	62.9	Low	74.9	Confident	34 Å²	34	70.3 Å²	70.3	24%	0.238	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-84.8	122	178.1	60.3	0	0	0	0	110.6	G555 D557	G555-S561 WeakPolarHBondContact CA-OG 3.27Å; G555-S561 PolarHBondContact N-OG 2.72Å; D557-S561 PolarHBondContact O-N 3.08Å; D557-S561 PolarHBondContact O-OG 2.78Å
562	L	77.8	Confident	74.9	Confident	118 Å²	118	70.9 Å²	70.9	62%	0.618	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-59.9	145	167.1	-75.4	161.6	0	0	0	108.3	C564 N565	L562-C564 PolarHBondContact O-N 3.36Å; L562-N565 VanDerWaalsContact O-CA 3.24Å; L562-N565 WeakPolarHBondContact O-CA 3.38Å; L562-N565 PolarHBondContact O-N 2.92Å
563	P	82	Confident	75	Confident	74 Å²	74	72.3 Å²	72.3	48%	0.481	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-51.3	134.1	174	-25.5	33.3	0	0	0	110.9	N565 G566	P563-N565 PolarHBondContact O-N 3.12Å; P563-G566 PolarHBondContact O-N 3.08Å; P563-G566 VanDerWaalsContact O-N 3.08Å
564	C	86.6	Confident	75.1	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.007	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	53.2	35.1	-174.1	-51.5	0	0	0	0	113.5	C553 L562 G566 H567 C576 D586	C553-C564 PolarHBondContact O-N 2.65Å; L562-C564 PolarHBondContact O-N 3.36Å; C564-G566 PolarHBondContact O-N 2.87Å; C564-H567 PolarHBondContact O-N 3.34Å; C564-C576 WeakPolarHBondContact CA-SG 3.24Å; C564-C576 HydrophobicContact CB-CB 3.63Å; C564-C576 WeakPolarHBondContact CB-SG 3.01Å; C564-C576 VanDerWaalsContact SG-CA 3.55Å; C564-C576 WeakPolarHBondContact SG-CB 3.47Å; C564-C576 CovalentContact SG-SG 2.03Å; C564-C576 PolarHBondContact SG-SG 2.84Å; C564-D586 CarbonylContact C-O 3.41Å; C564-D586 VanDerWaalsContact CA-O 3.32Å; C564-D586 WeakPolarHBondContact CA-O 3.16Å
565	N	86.7	Confident	76	Confident	51 Å²	51	74.8 Å²	74.8	27%	0.273	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	52.1	16.2	-174.3	-68.8	-76.5	0	0	0	115.1	L562 P563 H567 D586	L562-N565 VanDerWaalsContact O-CA 3.24Å; L562-N565 WeakPolarHBondContact O-CA 3.38Å; L562-N565 PolarHBondContact O-N 2.92Å; P563-N565 PolarHBondContact O-N 3.12Å; N565-H567 VanDerWaalsContact C-N 3.25Å; N565-H567 PolarHBondContact O-CD2 2.89Å; N565-H567 PolarHBondContact O-N 2.03Å; N565-D586 PolarHBondContact N-O 3.08Å; N565-D586 VanDerWaalsContact ND2-CG 3.27Å; N565-D586 PolarHBondContact ND2-O 3.47Å; N565-D586 PolarHBondContact ND2-OD2 3.25Å
566	G	86.6	Confident	77.3	Confident	41 Å²	41	74.5 Å²	74.5	42%	0.423	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	74.7	11.1	-173	0	0	0	0	0	114.8	P563 C564	P563-G566 PolarHBondContact O-N 3.08Å; P563-G566 VanDerWaalsContact O-N 3.08Å; C564-G566 PolarHBondContact O-N 2.87Å
567	H	89.2	Confident	79	Confident	61 Å²	61	66 Å²	66	28%	0.282	37%	0.374	S	S	.	.	S	Bend	trans	-119.9	22.7	-177.8	-62.8	-49.4	0	0	0	112.8	C564 N565 D579 W582 C587	C564-H567 PolarHBondContact O-N 3.34Å; N565-H567 VanDerWaalsContact C-N 3.25Å; N565-H567 PolarHBondContact O-CD2 2.89Å; N565-H567 PolarHBondContact O-N 2.03Å; H567-D579 PolarHBondContact O-N 3.46Å; H567-W582 HydrophobicContact CB-CB 4.14Å; H567-W582 HydrophobicContact CB-CD2 3.53Å; H567-W582 HydrophobicContact CB-CE3 3.88Å; H567-W582 HydrophobicContact CB-CG 3.63Å; H567-W582 AromaticContact CD2-CD2 3.81Å; H567-W582 AromaticContact CD2-CE2 3.81Å; H567-W582 AromaticContact CD2-CE3 3.55Å; H567-W582 AromaticContact CD2-CH2 3.34Å; H567-W582 WeakPolarHBondContact CD2-CH2 3.5Å; H567-W582 AromaticContact CD2-CZ2 3.62Å; H567-W582 AromaticContact CD2-CZ3 3.3Å; H567-W582 WeakPolarHBondContact CD2-CZ3 2.95Å; H567-W582 AromaticContact CE1-CE2 3.76Å; H567-W582 AromaticContact CE1-CH2 3.61Å; H567-W582 AromaticContact CE1-CZ2 3.28Å; H567-W582 WeakPolarHBondContact CE1-CZ2 3.12Å; H567-W582 AromaticContact CG-CD2 3.47Å; H567-W582 VanDerWaalsContact CG-CD2 3.47Å; H567-W582 AromaticContact CG-CE2 3.43Å; H567-W582 VanDerWaalsContact CG-CE2 3.43Å; H567-W582 AromaticContact CG-CE3 3.69Å; H567-W582 AromaticContact CG-CH2 3.86Å; H567-W582 AromaticContact CG-CZ2 3.65Å; H567-W582 AromaticContact CG-CZ3 3.88Å; H567-W582 AromaticContact CG-NE1 3.93Å; H567-W582 AromaticContact ND1-CD2 3.96Å; H567-W582 AromaticContact ND1-CE2 3.4Å; H567-W582 AromaticContact ND1-CZ2 3.45Å; H567-W582 WeakPolarHBondContact ND1-CZ2 3.38Å; H567-W582 AromaticContact ND1-NE1 3.68Å; H567-W582 AromaticContact NE2-CH2 3.17Å; H567-W582 WeakPolarHBondContact NE2-CH2 3.36Å; H567-W582 AromaticContact NE2-CZ2 3.39Å; H567-W582 WeakPolarHBondContact NE2-CZ2 3.33Å; H567-W582 AromaticContact NE2-CZ3 3.67Å; H567-C587 HydrophobicContact CB-CB 4.01Å
568	G	89.2	Confident	80.6	Confident	17 Å²	17	61.7 Å²	61.7	18%	0.175	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	174	177.5	0	0	0	0	0	112.9	S577	G568-S577 CarbonylContact C-O 3.57Å; G568-S577 WeakPolarHBondContact CA-O 3.01Å
569	T	89.4	Confident	82.1	Confident	50 Å²	50	56.8 Å²	56.8	31%	0.307	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.7	175.3	-54.1	0	0	0	0	109.7	F403 K410 S577	F403-T569 HydrophobicContact CE1-CG2 4.45Å; F403-T569 HydrophobicContact CZ-CG2 3.74Å; K410-T569 HydrophobicContact CD-CG2 4.29Å; K410-T569 HydrophobicContact CG-CG2 4.21Å; T569-S577 PolarHBondContact N-O 3.49Å; T569-S577 PolarHBondContact O-N 3Å
570	C	89.5	Confident	83.5	Confident	21 Å²	21	55.5 Å²	55.5	14%	0.142	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	141.1	172.4	-173.1	0	0	0	0	110.4	P411 V551 C553 T575	P411-C570 WeakPolarHBondContact CD-O 3.33Å; V551-C570 WeakPolarHBondContact CG1-SG 3.44Å; C553-C570 HydrophobicContact CB-CB 3.66Å; C553-C570 WeakPolarHBondContact CB-SG 2.99Å; C553-C570 VanDerWaalsContact SG-CA 3.54Å; C553-C570 WeakPolarHBondContact SG-CB 3.02Å; C553-C570 CovalentContact SG-SG 2.02Å; C553-C570 PolarHBondContact SG-SG 3.19Å; C570-T575 CarbonylContact C-O 3.02Å
571	T	89.2	Confident	84.9	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.025	30%	0.302	C	S	.	.			trans	-104.9	165.6	179.9	78	0	0	0	0	111.4	F403 A408 Y409 V551 L573 N574 T575	F403-T571 HydrophobicContact CD2-CG2 4.1Å; F403-T571 HydrophobicContact CE2-CG2 3.78Å; F403-T571 HydrophobicContact CZ-CG2 4.48Å; A408-T571 HydrophobicContact CB-CG2 4.11Å; Y409-T571 CarbonylContact O-C 3.57Å; Y409-T571 WeakPolarHBondContact O-CA 3.05Å; V551-T571 WeakPolarHBondContact CG1-O 3.37Å; T571-L573 PolarHBondContact O-N 3.23Å; T571-L573 PolarHBondContact OG1-N 2.82Å; T571-N574 PolarHBondContact O-N 2.86Å; T571-N574 VanDerWaalsContact O-N 3.16Å; T571-T575 WeakPolarHBondContact CG2-O 3.42Å; T571-T575 PolarHBondContact N-O 3.12Å; T571-T575 PolarHBondContact OG1-O 2.98Å; T571-T575 PolarHBondContact OG1-OG1 2.76Å
572	N	83.4	Confident	86.1	Confident	38 Å²	38	53.3 Å²	53.3	20%	0.203	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-9.2	173.4	73.7	-65.6	0	0	0	115	A408 Y409	A408-N572 VanDerWaalsContact CA-OD1 3.3Å; A408-N572 WeakPolarHBondContact CA-OD1 3.16Å; Y409-N572 HydrophobicContact CD1-CB 4.44Å; Y409-N572 HydrophobicContact CD2-CB 3.85Å; Y409-N572 HydrophobicContact CE1-CB 4.19Å; Y409-N572 VanDerWaalsContact CE1-CG 3.49Å; Y409-N572 VanDerWaalsContact CE1-ND2 3.25Å; Y409-N572 WeakPolarHBondContact CE1-ND2 3.08Å; Y409-N572 HydrophobicContact CE2-CB 3.54Å; Y409-N572 HydrophobicContact CG-CB 4.28Å; Y409-N572 PolarHBondContact N-OD1 3.08Å; Y409-N572 PolarHBondContact O-N 3.47Å; Y409-N572 PolarHBondContact O-OD1 2.91Å
573	L	83.1	Confident	86.4	Confident	104 Å²	104	51.5 Å²	51.5	55%	0.545	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	12.2	179.8	-59.5	179.2	0	0	0	113.3	A408 T571 T575	A408-L573 HydrophobicContact CB-CD1 4.14Å; T571-L573 PolarHBondContact O-N 3.23Å; T571-L573 PolarHBondContact OG1-N 2.82Å; L573-T575 PolarHBondContact O-N 2.88Å
574	N	83.8	Confident	86.4	Confident	91 Å²	91	48.9 Å²	48.9	49%	0.487	28%	0.278	S	S	.	.	S	Bend	trans	59.9	34.1	-173.9	-58.1	-34.1	0	0	0	113	V551 S552 T571	V551-N574 VanDerWaalsContact CA-OD1 3.27Å; V551-N574 WeakPolarHBondContact CA-OD1 3.42Å; V551-N574 WeakPolarHBondContact CG1-OD1 3.15Å; S552-N574 PolarHBondContact N-OD1 3.06Å; S552-N574 WeakPolarHBondContact O-CB 3.32Å; T571-N574 PolarHBondContact O-N 2.86Å; T571-N574 VanDerWaalsContact O-N 3.16Å
575	T	86.1	Confident	86.2	Confident	47 Å²	47	52.5 Å²	52.5	29%	0.288	30%	0.303	S	S	.	.			trans	-121.7	160.6	174.6	61.4	0	0	0	0	110.3	C553 C570 T571 L573 V601	C553-T575 PolarHBondContact SG-O 3Å; C553-T575 VanDerWaalsContact SG-O 3.38Å; C570-T575 CarbonylContact C-O 3.02Å; T571-T575 WeakPolarHBondContact CG2-O 3.42Å; T571-T575 PolarHBondContact N-O 3.12Å; T571-T575 PolarHBondContact OG1-O 2.98Å; T571-T575 PolarHBondContact OG1-OG1 2.76Å; L573-T575 PolarHBondContact O-N 2.88Å; T575-V601 HydrophobicContact CG2-CG1 4.24Å
576	C	87.7	Confident	86.1	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.027	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.6	177.1	-67.5	0	0	0	0	111.9	C564 S585 V601	C564-C576 WeakPolarHBondContact CA-SG 3.24Å; C564-C576 HydrophobicContact CB-CB 3.63Å; C564-C576 WeakPolarHBondContact CB-SG 3.01Å; C564-C576 VanDerWaalsContact SG-CA 3.55Å; C564-C576 WeakPolarHBondContact SG-CB 3.47Å; C564-C576 CovalentContact SG-SG 2.03Å; C564-C576 PolarHBondContact SG-SG 2.84Å; C576-S585 WeakPolarHBondContact CB-O 3.22Å; C576-V601 WeakPolarHBondContact O-CG2 3.35Å
577	S	88.6	Confident	86.2	Confident	24 Å²	24	50.2 Å²	50.2	17%	0.168	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	108.7	163.5	-178.3	0	0	0	0	107.9	G568 T569	G568-S577 CarbonylContact C-O 3.57Å; G568-S577 WeakPolarHBondContact CA-O 3.01Å; T569-S577 PolarHBondContact N-O 3.49Å; T569-S577 PolarHBondContact O-N 3Å
578	C	87.5	Confident	86.1	Confident	25 Å²	25	49.5 Å²	49.5	17%	0.169	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	150	-174.7	-53.5	0	0	0	0	113.2	W582 G584 C587	C578-W582 HydrophobicContact CB-CB 4.07Å; C578-W582 VanDerWaalsContact CB-O 3.24Å; C578-W582 WeakPolarHBondContact CB-O 3.4Å; C578-G584 PolarHBondContact SG-O 3.29Å; C578-G584 VanDerWaalsContact SG-O 3.36Å; C578-C587 WeakPolarHBondContact CA-SG 3.36Å; C578-C587 HydrophobicContact CB-CB 3.77Å; C578-C587 WeakPolarHBondContact CB-SG 3.34Å; C578-C587 WeakPolarHBondContact SG-CA 3.39Å; C578-C587 WeakPolarHBondContact SG-CB 3.3Å; C578-C587 CovalentContact SG-SG 2.04Å; C578-C587 PolarHBondContact SG-SG 3.47Å
579	D	87.6	Confident	85.8	Confident	82 Å²	82	54.8 Å²	54.8	44%	0.439	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-70.8	158.7	172.7	-65.7	-32.2	0	0	0	110.5	H567 G581 W582	H567-D579 PolarHBondContact O-N 3.46Å; D579-G581 PolarHBondContact O-N 3.43Å; D579-W582 PolarHBondContact O-N 2.04Å
580	E	82.9	Confident	85.5	Confident	172 Å²	172	59 Å²	59	80%	0.804	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	124.9	-179.9	-168.3	177.6	179.2	0	0	111
581	G	84	Confident	84.8	Confident	23 Å²	23	59.3 Å²	59.3	24%	0.237	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-1.3	-174.8	0	0	0	0	0	115.1	D579 M590 S591	D579-G581 PolarHBondContact O-N 3.43Å; G581-M590 CarbonylContact O-C 3.42Å; G581-M590 WeakPolarHBondContact O-CA 3.46Å; G581-M590 WeakPolarHBondContact O-CG 3.24Å; G581-S591 PolarHBondContact O-N 2.86Å
582	W	88.2	Confident	83.7	Confident	72 Å²	72	68.3 Å²	68.3	27%	0.273	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	146.6	174.9	-64.4	88.5	0	0	0	111.8	H567 C578 D579 C587 F589 M590	H567-W582 HydrophobicContact CB-CB 4.14Å; H567-W582 HydrophobicContact CB-CD2 3.53Å; H567-W582 HydrophobicContact CB-CE3 3.88Å; H567-W582 HydrophobicContact CB-CG 3.63Å; H567-W582 AromaticContact CD2-CD2 3.81Å; H567-W582 AromaticContact CD2-CE2 3.81Å; H567-W582 AromaticContact CD2-CE3 3.55Å; H567-W582 AromaticContact CD2-CH2 3.34Å; H567-W582 WeakPolarHBondContact CD2-CH2 3.5Å; H567-W582 AromaticContact CD2-CZ2 3.62Å; H567-W582 AromaticContact CD2-CZ3 3.3Å; H567-W582 WeakPolarHBondContact CD2-CZ3 2.95Å; H567-W582 AromaticContact CE1-CE2 3.76Å; H567-W582 AromaticContact CE1-CH2 3.61Å; H567-W582 AromaticContact CE1-CZ2 3.28Å; H567-W582 WeakPolarHBondContact CE1-CZ2 3.12Å; H567-W582 AromaticContact CG-CD2 3.47Å; H567-W582 VanDerWaalsContact CG-CD2 3.47Å; H567-W582 AromaticContact CG-CE2 3.43Å; H567-W582 VanDerWaalsContact CG-CE2 3.43Å; H567-W582 AromaticContact CG-CE3 3.69Å; H567-W582 AromaticContact CG-CH2 3.86Å; H567-W582 AromaticContact CG-CZ2 3.65Å; H567-W582 AromaticContact CG-CZ3 3.88Å; H567-W582 AromaticContact CG-NE1 3.93Å; H567-W582 AromaticContact ND1-CD2 3.96Å; H567-W582 AromaticContact ND1-CE2 3.4Å; H567-W582 AromaticContact ND1-CZ2 3.45Å; H567-W582 WeakPolarHBondContact ND1-CZ2 3.38Å; H567-W582 AromaticContact ND1-NE1 3.68Å; H567-W582 AromaticContact NE2-CH2 3.17Å; H567-W582 WeakPolarHBondContact NE2-CH2 3.36Å; H567-W582 AromaticContact NE2-CZ2 3.39Å; H567-W582 WeakPolarHBondContact NE2-CZ2 3.33Å; H567-W582 AromaticContact NE2-CZ3 3.67Å; C578-W582 HydrophobicContact CB-CB 4.07Å; C578-W582 VanDerWaalsContact CB-O 3.24Å; C578-W582 WeakPolarHBondContact CB-O 3.4Å; D579-W582 PolarHBondContact O-N 2.04Å; W582-C587 HydrophobicContact CB-CB 4.42Å; W582-F589 CarbonylContact C-O 3.51Å; W582-F589 VanDerWaalsContact CA-O 3.29Å; W582-F589 WeakPolarHBondContact CA-O 3.29Å; W582-M590 HydrophobicContact CE3-CB 4.39Å; W582-M590 HydrophobicContact CZ3-CB 4.3Å
583	E	83.3	Confident	82.6	Confident	79 Å²	79	72.2 Å²	72.2	37%	0.369	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	169.4	-178.5	67	-177.3	175.8	0	0	112.3	C587 S588 F589 S600	E583-C587 CarbonylContact O-C 3.5Å; E583-C587 WeakPolarHBondContact O-CA 3.28Å; E583-S588 PolarHBondContact O-N 2.99Å; E583-F589 HydrophobicContact CG-CB 3.93Å; E583-F589 PolarHBondContact N-O 2.79Å; E583-F589 PolarHBondContact O-N 2.96Å; E583-F589 VanDerWaalsContact O-N 3.08Å; E583-S600 WeakPolarHBondContact CB-OG 3.47Å
584	G	81.7	Confident	81.1	Confident	19 Å²	19	71.2 Å²	71.2	20%	0.196	39%	0.385	C	S	.	.	S	Bend	trans	105.5	160.5	-172.9	0	0	0	0	0	111.6	C578 D586 C587	C578-G584 PolarHBondContact SG-O 3.29Å; C578-G584 VanDerWaalsContact SG-O 3.36Å; G584-D586 PolarHBondContact O-N 3.25Å; G584-D586 VanDerWaalsContact O-N 3.15Å; G584-C587 PolarHBondContact O-N 2.98Å
585	S	83	Confident	79.3	Confident	77 Å²	77	76.6 Å²	76.6	54%	0.538	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.6	-178.6	44.7	0	0	0	0	114	C576	C576-S585 WeakPolarHBondContact CB-O 3.22Å
586	D	85.2	Confident	77.2	Confident	44 Å²	44	78.2 Å²	78.2	24%	0.235	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	10	-179	69.1	-26.1	0	0	0	112.5	C564 N565 G584 S588	C564-D586 CarbonylContact C-O 3.41Å; C564-D586 VanDerWaalsContact CA-O 3.32Å; C564-D586 WeakPolarHBondContact CA-O 3.16Å; N565-D586 PolarHBondContact N-O 3.08Å; N565-D586 VanDerWaalsContact ND2-CG 3.27Å; N565-D586 PolarHBondContact ND2-O 3.47Å; N565-D586 PolarHBondContact ND2-OD2 3.25Å; G584-D586 PolarHBondContact O-N 3.25Å; G584-D586 VanDerWaalsContact O-N 3.15Å; D586-S588 VanDerWaalsContact C-N 3.34Å; D586-S588 PolarHBondContact O-N 3.44Å; D586-S588 WeakPolarHBondContact OD1-CB 3.17Å; D586-S588 PolarHBondContact OD1-N 2.93Å; D586-S588 PolarHBondContact OD1-OG 3.37Å
587	C	88.5	Confident	74.8	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	45%	0.447	C	S	.	.	S	Bend	trans	61.5	32.4	-180	-45.2	0	0	0	0	115.1	H567 C578 W582 E583 G584	H567-C587 HydrophobicContact CB-CB 4.01Å; C578-C587 WeakPolarHBondContact CA-SG 3.36Å; C578-C587 HydrophobicContact CB-CB 3.77Å; C578-C587 WeakPolarHBondContact CB-SG 3.34Å; C578-C587 WeakPolarHBondContact SG-CA 3.39Å; C578-C587 WeakPolarHBondContact SG-CB 3.3Å; C578-C587 CovalentContact SG-SG 2.04Å; C578-C587 PolarHBondContact SG-SG 3.47Å; W582-C587 HydrophobicContact CB-CB 4.42Å; E583-C587 CarbonylContact O-C 3.5Å; E583-C587 WeakPolarHBondContact O-CA 3.28Å; G584-C587 PolarHBondContact O-N 2.98Å
588	S	86.4	Confident	72.5	Confident	46 Å²	46	82.6 Å²	82.6	32%	0.322	46%	0.456	S	S	.	.			trans	-79.9	-15.4	-179.2	65.2	0	0	0	0	115	E583 D586	E583-S588 PolarHBondContact O-N 2.99Å; D586-S588 VanDerWaalsContact C-N 3.34Å; D586-S588 PolarHBondContact O-N 3.44Å; D586-S588 WeakPolarHBondContact OD1-CB 3.17Å; D586-S588 PolarHBondContact OD1-N 2.93Å; D586-S588 PolarHBondContact OD1-OG 3.37Å
589	F	83.4	Confident	70.2	Confident	128 Å²	128	88.2 Å²	88.2	56%	0.561	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	139.1	-173.8	-56.4	-75.9	0	0	0	111.6	W582 E583	W582-F589 CarbonylContact C-O 3.51Å; W582-F589 VanDerWaalsContact CA-O 3.29Å; W582-F589 WeakPolarHBondContact CA-O 3.29Å; E583-F589 HydrophobicContact CG-CB 3.93Å; E583-F589 PolarHBondContact N-O 2.79Å; E583-F589 PolarHBondContact O-N 2.96Å; E583-F589 VanDerWaalsContact O-N 3.08Å
590	M	82.5	Confident	67.7	Low	138 Å²	138	86.5 Å²	86.5	68%	0.68	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.4	174	-166.8	172.4	67.1	0	0	109.3	G581 W582	G581-M590 CarbonylContact O-C 3.42Å; G581-M590 WeakPolarHBondContact O-CA 3.46Å; G581-M590 WeakPolarHBondContact O-CG 3.24Å; W582-M590 HydrophobicContact CE3-CB 4.39Å; W582-M590 HydrophobicContact CZ3-CB 4.3Å
591	S	74.8	Confident	65.7	Low	28 Å²	28	80.4 Å²	80.4	20%	0.196	45%	0.453	C	S	.	.			trans	-70.3	130.3	-177.6	-178.4	0	0	0	0	111.4	G581 D593	G581-S591 PolarHBondContact O-N 2.86Å; S591-D593 PolarHBondContact O-N 2.66Å; S591-D593 PolarHBondContact OG-O 2.76Å
592	E	67	Low	63.3	Low	194 Å²	194	83.8 Å²	83.8	91%	0.907	47%	0.471	S	S	*	.	S	Bend	trans	-73.5	-13.8	178.5	-66.6	-172.4	163	0	0	113.3
593	D	59.3	Low	60.6	Low	119 Å²	119	89.3 Å²	89.3	64%	0.636	50%	0.497	S	S	*	.			trans	-129.1	95.8	-178	-104.9	-37.3	0	0	0	111.1	S591 K595 A596	S591-D593 PolarHBondContact O-N 2.66Å; S591-D593 PolarHBondContact OG-O 2.76Å; D593-K595 PolarHBondContact O-N 3.11Å; D593-A596 PolarHBondContact O-N 3.17Å
594	P	51.5	Low	58.1	Low	84 Å²	84	90.5 Å²	90.5	55%	0.545	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-1.2	-172.2	22.2	-31.8	0	0	0	115.2
595	K	45.9	Very low	55.6	Low	204 Å²	204	95.1 Å²	95.1	89%	0.887	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-6.5	-179.2	-72	-172.8	179.4	176.4	0	114.8	D593 G597	D593-K595 PolarHBondContact O-N 3.11Å; K595-G597 VanDerWaalsContact C-N 3.29Å; K595-G597 PolarHBondContact O-N 2.98Å
596	A	42	Very low	52.9	Low	80 Å²	80	101.3 Å²	101.3	66%	0.661	55%	0.548	S	S	*	.			trans	-93.4	55.8	175.9	0	0	0	0	0	110.8	D593	D593-A596 PolarHBondContact O-N 3.17Å
597	G	37.3	Very low	50.2	Low	54 Å²	54	106.1 Å²	106.1	56%	0.557	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	132.9	177.2	0	0	0	0	0	112	K595	K595-G597 VanDerWaalsContact C-N 3.29Å; K595-G597 PolarHBondContact O-N 2.98Å
598	N	40.7	Very low	47.2	Very low	67 Å²	67	115.5 Å²	115.5	36%	0.358	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	98	10	160.6	-108.1	27.6	0	0	0	121.7	F406	F406-N598 WeakPolarHBondContact CZ-O 3.45Å
599	D	38.5	Very low	44.6	Very low	143 Å²	143	122.4 Å²	122.4	77%	0.765	64%	0.637	S	S	*	*			trans	-103.8	5.7	-174.8	-79.9	-19.6	0	0	0	117.2
600	S	36.6	Very low	42.1	Very low	46 Å²	46	121.1 Å²	121.1	32%	0.322	65%	0.645	S	S	.	*			trans	-114.7	72.1	-171.2	46.1	0	0	0	0	115	E583	E583-S600 WeakPolarHBondContact CB-OG 3.47Å
601	V	39.3	Very low	39.7	Very low	43 Å²	43	117.5 Å²	117.5	26%	0.261	64%	0.643	S	S	.	*	S	Bend	trans	-132	124.8	147.3	-170.5	0	0	0	0	108.2	T575 C576 F603	T575-V601 HydrophobicContact CG2-CG1 4.24Å; C576-V601 WeakPolarHBondContact O-CG2 3.35Å; V601-F603 PolarHBondContact O-N 3.12Å
602	P	33.6	Very low	37.6	Very low	95 Å²	95	123.7 Å²	123.7	62%	0.617	67%	0.672	S	S	*	*			trans	-63	129	-176.2	-14.2	27.1	0	0	0	110.1
603	F	31.8	Very low	35.8	Very low	188 Å²	188	120.3 Å²	120.3	83%	0.825	66%	0.664	S	S	*	*			trans	-49.9	130.1	165.6	-80.2	-93.7	0	0	0	108.7	V601 T605	V601-F603 PolarHBondContact O-N 3.12Å; F603-T605 VanDerWaalsContact C-N 3.34Å; F603-T605 PolarHBondContact O-N 2.77Å
604	P	31.5	Very low	34.5	Very low	103 Å²	103	122 Å²	122	67%	0.669	67%	0.673	S	S	*	*			trans	-63.7	104.3	167.4	24.7	-28.6	0	0	0	106.6	W606	P604-W606 VanDerWaalsContact C-N 3.33Å; P604-W606 PolarHBondContact O-N 3.49Å
605	T	27.9	Very low	34	Very low	117 Å²	117	132.1 Å²	132.1	72%	0.718	70%	0.702	S	S	*	*			trans	-62.6	101.1	167.8	45.9	0	0	0	0	106.2	F603 D607	F603-T605 VanDerWaalsContact C-N 3.34Å; F603-T605 PolarHBondContact O-N 2.77Å; T605-D607 VanDerWaalsContact C-N 3.29Å; T605-D607 PolarHBondContact O-N 2.89Å
606	W	27.5	Very low	33.4	Very low	206 Å²	206	128.5 Å²	128.5	78%	0.78	69%	0.693	S	S	*	*			trans	-69.1	99.5	163.8	-72.7	22.3	0	0	0	105.1	P604 Y608	P604-W606 VanDerWaalsContact C-N 3.33Å; P604-W606 PolarHBondContact O-N 3.49Å; W606-Y608 PolarHBondContact O-N 2.94Å
607	D	27.4	Very low	32.9	Very low	146 Å²	146	131.1 Å²	131.1	78%	0.781	70%	0.695	S	S	*	*			trans	-58.6	95.1	168	-85.2	-28.9	0	0	0	107.3	T605 E609	T605-D607 VanDerWaalsContact C-N 3.29Å; T605-D607 PolarHBondContact O-N 2.89Å; D607-E609 PolarHBondContact O-N 3.42Å
608	Y	27.3	Very low	32.7	Very low	196 Å²	196	135.3 Å²	135.3	77%	0.769	70%	0.702	S	S	*	*			trans	-65.4	86.1	161.4	-101.2	-95.5	0	0	0	106.4	W606 S610	W606-Y608 PolarHBondContact O-N 2.94Å; Y608-S610 PolarHBondContact O-N 3.2Å
609	E	30.2	Very low	32.2	Very low	191 Å²	191	139.4 Å²	139.4	89%	0.893	72%	0.722	S	S	*	*			trans	-68.9	68.7	154.7	-78	-165.1	154.7	0	0	108.4	D607 G611	D607-E609 PolarHBondContact O-N 3.42Å; E609-G611 PolarHBondContact O-N 2.78Å; E609-G611 VanDerWaalsContact O-N 3.17Å
610	S	32.5	Very low	31.8	Very low	102 Å²	102	139.1 Å²	139.1	71%	0.713	72%	0.72	S	S	*	*			trans	-78.4	90.6	164.9	46.4	0	0	0	0	108.2	Y608	Y608-S610 PolarHBondContact O-N 3.2Å
611	G	30.7	Very low	31.5	Very low	62 Å²	62	145.3 Å²	145.3	64%	0.639	75%	0.746	S	S	*	*			trans	-141.9	32.3	176.8	0	0	0	0	0	113.6	E609 T613	E609-G611 PolarHBondContact O-N 2.78Å; E609-G611 VanDerWaalsContact O-N 3.17Å; G611-T613 PolarHBondContact O-N 2.82Å
612	I	30.8	Very low	30.9	Very low	158 Å²	158	152.6 Å²	152.6	81%	0.81	78%	0.781	S	S	*	*			trans	-83.4	92.1	169.8	-56.9	178.5	0	0	0	107.9	L614	I612-L614 HydrophobicContact CG2-CG 4.21Å; I612-L614 PolarHBondContact O-N 3.39Å
613	T	30.4	Very low	30.7	Very low	122 Å²	122	157.1 Å²	157.1	75%	0.748	79%	0.794	S	S	*	*			trans	-77.8	104.3	165.9	-52.1	0	0	0	0	108.1	G611	G611-T613 PolarHBondContact O-N 2.82Å
614	L	31.1	Very low	30.6	Very low	155 Å²	155	154.5 Å²	154.5	81%	0.812	79%	0.791	S	S	*	*			trans	-80	126.3	167.3	-76	159.9	0	0	0	108.4	I612	I612-L614 HydrophobicContact CG2-CG 4.21Å; I612-L614 PolarHBondContact O-N 3.39Å
615	Y	40.1	Very low	30.5	Very low	296 Å²	296	159.2 Å²	159.2	100%	1.161	80%	0.802	S	S	*	*			trans	-68.5	0	168.1	-80.1	-83.9	0	0	0	111.8

Retrieved 615 of 615 residues in 256 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).