A0A096NPF4_PAPAN Loading...

Echinoderm microtubule-associated protein-like 3

Regulates mitotic spindle assembly, microtubule (MT)-kinetochore attachment and chromosome separation via recruitment of HAUS augmin-like complex and TUBG1 to the existing MTs and promoting MT-based MT nucleation. Required for proper alignnment of chromosomes during metaphase.

AlphaFold DB (H9FSH0), UniProt , Accession A0A096NPF4, Species PAPAN (Papio anubis, Olive baboon), Gene EML3, Length 897 aa.

						>A0A096NPF4_PAPAN|A0A096NPF4|EML3
MDGAAGPGEGPAREALQSLSQRLRVQEQEMELVKAALAEALRLLRLQVPPSSLQVSGTPAPPGDSSFAAPPGLPPTCTPSLVSRGTQTETEVEFKTSPGPPGLSNGPPAPQGASEEPSGTQSEGGGSSSSGAGSPGPPGILRPLQPPQRADTPRRNSSSSSSPSERPRQKLSRKAISSANLLVRSGSTESRGGKDPLSSPGGPGSRRSNYNLEGISVKMFLRGRPITMYIPSGIRSLEELPSGPPPETLCLDWVYGYRGRDSRSNLFVLRSGEVVYFIACVVVLYRPGGGPGGPGGGGQRHYRGHTDCVRCLAVHPDGVRVASGQTAGVDKDGKPLQPVVHIWDSETLLKLQEIGLGAFERGVGALAFSAADQGAFLCVVDDSNEHMLSVWDCSRGVKLAEIKSTNDSVLAVGFNPRDSSCIVTSGKSHVHFWNWSGGVGVPGNGTLTRKQGVFGKYKKPKFIPCFVFLPDGDILTGDSEGNILTWGRSASDSKTPGRGGAKETYGIVAQAHAHEGSIFALCLQRDGTVLSGGGRDRRLVQWGPGLVALQEAEIPEHFGAVRAIAEGLGSELLVGTTKNALLRGDLAQGFSPVIQGHTDELWGLCTHPSQNRFLTCGHDRQLCLWDGESHALAWSIDLKETGLCADFHPSGAVVAVGLNTGRWLVLDTETREIVSDVIDGNEQLSVVRYSPDGLYLAIGSHDNVIYIYSVSSDGAKSSRFGRCMGHSSFITHLDWSKDGNFIMSNSGDYEILYWDVAGGCKQLKNRYESRDREWATYTCVLGFHVYGVWPDGSDGTDINSLCRSHNERVVAVADDFCKVHLFQYPCARAKAPSRMYGGHGSHVTSVRFTHDDSHLVSLGGKDASIFQWRVLGAGGAGPAPATPSRTPSLSPASSLDV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	43.6	Very low	241 Å²	241	115.3 Å²	115.3	100%	1.187	80%	0.795	S	S	*	*				0	132.8	0	-78.8	179.5	169.8	0	0	107.4
2	D	36.4	Very low	44.9	Very low	170 Å²	170	111.4 Å²	111.4	91%	0.909	78%	0.776	S	S	*	*			trans	-83.6	164.7	-172.2	-42	-92.6	0	0	0	110
3	G	35.8	Very low	46.5	Very low	69 Å²	69	116 Å²	116	71%	0.711	77%	0.766	S	S	*	*			cis	173.8	169	-3	0	0	0	0	0	111.2
4	A	38.3	Very low	48.3	Very low	110 Å²	110	117.5 Å²	117.5	91%	0.909	76%	0.757	S	S	*	*			trans	40.4	99.3	164.4	0	0	0	0	0	119.3
5	A	36.9	Very low	49.9	Very low	106 Å²	106	113.1 Å²	113.1	88%	0.876	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-91.1	122.9	154.9	0	0	0	0	0	109.9
6	G	36.5	Very low	51.5	Low	77 Å²	77	113.4 Å²	113.4	79%	0.794	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-86.9	140.9	-178.5	0	0	0	0	0	113.7
7	P	48.7	Very low	53.2	Low	135 Å²	135	114.5 Å²	114.5	88%	0.877	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-88.7	153.6	174.2	35.4	-33.9	0	0	0	112.3
8	G	49.4	Very low	54.9	Low	67 Å²	67	110.9 Å²	110.9	69%	0.691	70%	0.7	S	S	*	*			trans	154.7	-21.3	155.7	0	0	0	0	0	121.4
9	E	47.2	Very low	56	Low	152 Å²	152	110.8 Å²	110.8	71%	0.71	69%	0.694	S	S	*	*	S	Bend	trans	-89.2	-19.1	-167	-71.3	-154	149.7	0	0	117.2
10	G	55.8	Low	57.5	Low	42 Å²	42	108.2 Å²	108.2	43%	0.433	68%	0.679	S	S	.	*	H	α-helix	trans	-57.1	-60.9	-171.9	0	0	0	0	0	115	A12 R13 E14	G10-A12 VanDerWaalsContact C-N 3.33Å; G10-A12 PolarHBondContact O-N 3.26Å; G10-R13 WeakPolarHBondContact O-CB 3.46Å; G10-R13 PolarHBondContact O-N 3.25Å; G10-R13 VanDerWaalsContact O-N 3.08Å; G10-E14 PolarHBondContact O-N 3.14Å
11	P	59.8	Low	58.8	Low	99 Å²	99	109.5 Å²	109.5	64%	0.643	68%	0.677	S	S	*	*	H	α-helix	trans	-62.3	-36	-170.1	-25.1	34.8	0	0	0	114.1	R13 A15	P11-R13 VanDerWaalsContact C-N 3.31Å; P11-R13 PolarHBondContact O-N 3.32Å; P11-A15 WeakPolarHBondContact O-CB 3.22Å; P11-A15 PolarHBondContact O-N 2.61Å
12	A	59.3	Low	61	Low	69 Å²	69	104.8 Å²	104.8	57%	0.57	65%	0.646	S	S	*	*	H	α-helix	trans	-65.1	-36.8	178.3	0	0	0	0	0	111.8	G10 L16	G10-A12 VanDerWaalsContact C-N 3.33Å; G10-A12 PolarHBondContact O-N 3.26Å; A12-L16 WeakPolarHBondContact O-CB 3.4Å; A12-L16 PolarHBondContact O-N 2.7Å; A12-L16 VanDerWaalsContact O-N 3.07Å
13	R	65.1	Low	63.1	Low	171 Å²	171	101.4 Å²	101.4	65%	0.645	63%	0.627	S	S	*	*	H	α-helix	trans	-72.8	-38.9	-177.8	-158.6	168.3	-176.1	159.5	-2.3	111.9	G10 P11 L16 Q17	G10-R13 WeakPolarHBondContact O-CB 3.46Å; G10-R13 PolarHBondContact O-N 3.25Å; G10-R13 VanDerWaalsContact O-N 3.08Å; P11-R13 VanDerWaalsContact C-N 3.31Å; P11-R13 PolarHBondContact O-N 3.32Å; R13-L16 PolarHBondContact O-N 3.03Å; R13-Q17 WeakPolarHBondContact O-CG 3.46Å; R13-Q17 PolarHBondContact O-N 3.45Å; R13-Q17 VanDerWaalsContact O-N 3.11Å
14	E	71.6	Confident	65.4	Low	137 Å²	137	106.5 Å²	106.5	64%	0.64	63%	0.625	S	S	*	*	H	α-helix	trans	-66.8	-43.7	172.8	-66.5	179.5	164.3	0	0	111.9	G10 L16 Q17 S18	G10-E14 PolarHBondContact O-N 3.14Å; E14-L16 VanDerWaalsContact C-N 3.29Å; E14-L16 PolarHBondContact O-N 2.84Å; E14-Q17 PolarHBondContact O-N 3.16Å; E14-S18 WeakPolarHBondContact O-CB 3.41Å; E14-S18 PolarHBondContact O-N 2.64Å
15	A	72.3	Confident	67.7	Low	51 Å²	51	104.5 Å²	104.5	42%	0.421	60%	0.602	S	S	.	*	H	α-helix	trans	-59	-40	175.3	0	0	0	0	0	112.2	P11 S18 L19	P11-A15 WeakPolarHBondContact O-CB 3.22Å; P11-A15 PolarHBondContact O-N 2.61Å; A15-S18 PolarHBondContact O-N 3.37Å; A15-L19 PolarHBondContact O-N 2.95Å
16	L	75.4	Confident	69.7	Low	119 Å²	119	105.3 Å²	105.3	62%	0.623	59%	0.587	S	S	*	*	H	α-helix	trans	-71.3	-34.3	179.5	-148.5	139.2	0	0	0	112.4	A12 R13 E14 S20	A12-L16 WeakPolarHBondContact O-CB 3.4Å; A12-L16 PolarHBondContact O-N 2.7Å; A12-L16 VanDerWaalsContact O-N 3.07Å; R13-L16 PolarHBondContact O-N 3.03Å; E14-L16 VanDerWaalsContact C-N 3.29Å; E14-L16 PolarHBondContact O-N 2.84Å; L16-S20 WeakPolarHBondContact O-CB 3.33Å; L16-S20 PolarHBondContact O-N 2.93Å; L16-S20 PolarHBondContact O-OG 3.12Å
17	Q	80	Confident	72	Confident	132 Å²	132	106.6 Å²	106.6	62%	0.617	57%	0.573	S	S	*	*	H	α-helix	trans	-66.5	-44.3	168.7	-71.9	-179.9	-0.8	0	0	112.1	R13 E14 L19 S20 Q21	R13-Q17 WeakPolarHBondContact O-CG 3.46Å; R13-Q17 PolarHBondContact O-N 3.45Å; R13-Q17 VanDerWaalsContact O-N 3.11Å; E14-Q17 PolarHBondContact O-N 3.16Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 2.74Å; Q17-S20 WeakPolarHBondContact O-CB 3.01Å; Q17-S20 PolarHBondContact O-N 3.46Å; Q17-S20 VanDerWaalsContact O-N 3.17Å; Q17-Q21 WeakPolarHBondContact O-CB 3.41Å; Q17-Q21 PolarHBondContact O-N 3.49Å
18	S	84.6	Confident	73.7	Confident	50 Å²	50	106.7 Å²	106.7	35%	0.35	56%	0.561	S	S	.	*	H	α-helix	trans	-60.8	-38.6	176.2	174.5	0	0	0	0	113.1	E14 A15 R22	E14-S18 WeakPolarHBondContact O-CB 3.41Å; E14-S18 PolarHBondContact O-N 2.64Å; A15-S18 PolarHBondContact O-N 3.37Å; S18-R22 WeakPolarHBondContact O-CG 3.46Å; S18-R22 PolarHBondContact O-N 2.74Å; S18-R22 VanDerWaalsContact O-N 3.15Å; S18-R22 PolarHBondContact O-NE 2.98Å; S18-R22 VanDerWaalsContact O-NE 3.08Å; S18-R22 PolarHBondContact OG-NE 2.81Å; S18-R22 PolarHBondContact OG-NH2 3.21Å
19	L	76.4	Confident	75.3	Confident	109 Å²	109	108.9 Å²	108.9	57%	0.571	55%	0.553	S	S	*	*	H	α-helix	trans	-65.8	-46.9	171.7	-95	159.7	0	0	0	111.4	A15 Q17 Q21 R22 L23	A15-L19 PolarHBondContact O-N 2.95Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 2.74Å; L19-Q21 VanDerWaalsContact C-N 3.28Å; L19-Q21 PolarHBondContact O-N 2.86Å; L19-R22 PolarHBondContact O-N 3.45Å; L19-L23 PolarHBondContact O-N 3.41Å
20	S	85.1	Confident	76.7	Confident	57 Å²	57	106.2 Å²	106.2	40%	0.399	54%	0.542	S	S	.	.	H	α-helix	trans	-61.5	-35.4	179.4	-58	0	0	0	0	112.8	L16 Q17 R24	L16-S20 WeakPolarHBondContact O-CB 3.33Å; L16-S20 PolarHBondContact O-N 2.93Å; L16-S20 PolarHBondContact O-OG 3.12Å; Q17-S20 WeakPolarHBondContact O-CB 3.01Å; Q17-S20 PolarHBondContact O-N 3.46Å; Q17-S20 VanDerWaalsContact O-N 3.17Å; S20-R24 WeakPolarHBondContact O-CG 3.32Å; S20-R24 PolarHBondContact O-N 2.95Å
21	Q	84.8	Confident	77.9	Confident	137 Å²	137	109.6 Å²	109.6	64%	0.64	55%	0.547	S	S	*	.	H	α-helix	trans	-72	-43.7	176.1	-171.1	173.3	4.8	0	0	111.9	Q17 L19 L23 R24 V25	Q17-Q21 WeakPolarHBondContact O-CB 3.41Å; Q17-Q21 PolarHBondContact O-N 3.49Å; L19-Q21 VanDerWaalsContact C-N 3.28Å; L19-Q21 PolarHBondContact O-N 2.86Å; Q21-L23 VanDerWaalsContact C-N 3.35Å; Q21-L23 PolarHBondContact O-N 3.39Å; Q21-R24 PolarHBondContact O-N 3.31Å; Q21-V25 WeakPolarHBondContact O-CG2 2.9Å; Q21-V25 PolarHBondContact O-N 2.89Å
22	R	82.8	Confident	79.1	Confident	141 Å²	141	110.9 Å²	110.9	53%	0.532	55%	0.547	S	S	.	.	H	α-helix	trans	-61.9	-40.3	175.3	-79.6	178	-78.4	173.7	-7.4	112.5	S18 L19 R24 V25 Q26	S18-R22 WeakPolarHBondContact O-CG 3.46Å; S18-R22 PolarHBondContact O-N 2.74Å; S18-R22 VanDerWaalsContact O-N 3.15Å; S18-R22 PolarHBondContact O-NE 2.98Å; S18-R22 VanDerWaalsContact O-NE 3.08Å; S18-R22 PolarHBondContact OG-NE 2.81Å; S18-R22 PolarHBondContact OG-NH2 3.21Å; L19-R22 PolarHBondContact O-N 3.45Å; R22-R24 PolarHBondContact O-N 3.45Å; R22-V25 PolarHBondContact O-N 3.27Å; R22-Q26 PolarHBondContact O-N 3.43Å
23	L	80.1	Confident	80	Confident	100 Å²	100	112.3 Å²	112.3	52%	0.524	55%	0.549	S	S	.	.	H	α-helix	trans	-61.1	-43.6	177.9	-160.7	113.8	0	0	0	111.7	L19 Q21 V25 Q26 E27	L19-L23 PolarHBondContact O-N 3.41Å; Q21-L23 VanDerWaalsContact C-N 3.35Å; Q21-L23 PolarHBondContact O-N 3.39Å; L23-V25 VanDerWaalsContact C-N 3.33Å; L23-V25 PolarHBondContact O-N 3.31Å; L23-Q26 PolarHBondContact O-N 3.45Å; L23-E27 WeakPolarHBondContact O-CG 3.32Å; L23-E27 PolarHBondContact O-N 3.05Å
24	R	82.7	Confident	80.7	Confident	175 Å²	175	108.9 Å²	108.9	66%	0.66	54%	0.539	S	S	*	.	H	α-helix	trans	-63.2	-35.2	175.5	-72.7	176.9	-179.3	176.6	1.7	113.5	S20 Q21 R22 E27 Q28	S20-R24 WeakPolarHBondContact O-CG 3.32Å; S20-R24 PolarHBondContact O-N 2.95Å; Q21-R24 PolarHBondContact O-N 3.31Å; R22-R24 PolarHBondContact O-N 3.45Å; R24-E27 PolarHBondContact O-N 3.19Å; R24-Q28 WeakPolarHBondContact O-CG 3.25Å; R24-Q28 PolarHBondContact O-N 3.16Å; R24-Q28 VanDerWaalsContact O-N 3.11Å
25	V	87.4	Confident	81.3	Confident	69 Å²	69	105.2 Å²	105.2	42%	0.418	53%	0.532	S	S	.	.	H	α-helix	trans	-66.2	-45.8	174.4	174.2	0	0	0	0	110	Q21 R22 L23 E27 Q28 E29	Q21-V25 WeakPolarHBondContact O-CG2 2.9Å; Q21-V25 PolarHBondContact O-N 2.89Å; R22-V25 PolarHBondContact O-N 3.27Å; L23-V25 VanDerWaalsContact C-N 3.33Å; L23-V25 PolarHBondContact O-N 3.31Å; V25-E27 VanDerWaalsContact C-N 3.32Å; V25-E27 PolarHBondContact O-N 3.19Å; V25-Q28 PolarHBondContact O-N 2.98Å; V25-Q28 VanDerWaalsContact O-N 3.13Å; V25-E29 HydrophobicContact CG1-CG 4.42Å; V25-E29 WeakPolarHBondContact O-CG 3.02Å; V25-E29 PolarHBondContact O-N 3.31Å
26	Q	79.4	Confident	81.7	Confident	123 Å²	123	105.9 Å²	105.9	58%	0.575	54%	0.537	S	S	*	.	H	α-helix	trans	-63	-35.6	176.1	-69.8	-174.4	-50.6	0	0	112.9	R22 L23 M30	R22-Q26 PolarHBondContact O-N 3.43Å; L23-Q26 PolarHBondContact O-N 3.45Å; Q26-M30 VanDerWaalsContact O-CB 3.29Å; Q26-M30 WeakPolarHBondContact O-CB 3.31Å; Q26-M30 PolarHBondContact O-N 2.59Å
27	E	83.7	Confident	81.8	Confident	104 Å²	104	105.4 Å²	105.4	49%	0.486	54%	0.535	S	S	.	.	H	α-helix	trans	-61.9	-42.9	172	-73.3	176.9	143.1	0	0	111.7	L23 R24 V25 M30 E31	L23-E27 WeakPolarHBondContact O-CG 3.32Å; L23-E27 PolarHBondContact O-N 3.05Å; R24-E27 PolarHBondContact O-N 3.19Å; V25-E27 VanDerWaalsContact C-N 3.32Å; V25-E27 PolarHBondContact O-N 3.19Å; E27-M30 PolarHBondContact O-N 3.06Å; E27-E31 PolarHBondContact O-N 3.16Å
28	Q	85.4	Confident	81.8	Confident	136 Å²	136	102 Å²	102	64%	0.636	53%	0.529	S	S	*	.	H	α-helix	trans	-68.4	-40.9	177.1	-72.3	-179.9	-16.2	0	0	113	R24 V25 M30 E31 L32	R24-Q28 WeakPolarHBondContact O-CG 3.25Å; R24-Q28 PolarHBondContact O-N 3.16Å; R24-Q28 VanDerWaalsContact O-N 3.11Å; V25-Q28 PolarHBondContact O-N 2.98Å; V25-Q28 VanDerWaalsContact O-N 3.13Å; Q28-M30 VanDerWaalsContact C-N 3.35Å; Q28-E31 PolarHBondContact O-N 3.21Å; Q28-L32 PolarHBondContact O-N 2.92Å
29	E	83.1	Confident	81.8	Confident	113 Å²	113	103.3 Å²	103.3	53%	0.528	53%	0.53	S	S	.	.	H	α-helix	trans	-62.6	-41.4	173.6	-71.4	178.5	155.9	0	0	111.4	V25 E31 L32 V33	V25-E29 HydrophobicContact CG1-CG 4.42Å; V25-E29 WeakPolarHBondContact O-CG 3.02Å; V25-E29 PolarHBondContact O-N 3.31Å; E29-E31 VanDerWaalsContact C-N 3.32Å; E29-E31 PolarHBondContact O-N 2.57Å; E29-L32 PolarHBondContact O-N 3.37Å; E29-V33 WeakPolarHBondContact O-CG2 3.44Å; E29-V33 PolarHBondContact O-N 2.71Å
30	M	76.6	Confident	81.8	Confident	97 Å²	97	100.3 Å²	100.3	48%	0.478	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-37.7	176	-160	-154.5	-43.9	0	0	112	Q26 E27 Q28 V33 K34	Q26-M30 VanDerWaalsContact O-CB 3.29Å; Q26-M30 WeakPolarHBondContact O-CB 3.31Å; Q26-M30 PolarHBondContact O-N 2.59Å; E27-M30 PolarHBondContact O-N 3.06Å; Q28-M30 VanDerWaalsContact C-N 3.35Å; M30-V33 PolarHBondContact O-N 3.3Å; M30-K34 VanDerWaalsContact O-CG 3.28Å; M30-K34 WeakPolarHBondContact O-CG 3.41Å; M30-K34 PolarHBondContact O-N 2.69Å; M30-K34 WeakPolarHBondContact SD-CE 3.49Å; M30-K34 PolarHBondContact SD-NZ 3Å
31	E	81.4	Confident	81.5	Confident	113 Å²	113	101.9 Å²	101.9	53%	0.528	52%	0.524	S	S	.	.	H	α-helix	trans	-69.1	-37.9	177.3	-127.4	64.9	178.7	0	0	112	E27 Q28 E29 K34 A35	E27-E31 PolarHBondContact O-N 3.16Å; Q28-E31 PolarHBondContact O-N 3.21Å; E29-E31 VanDerWaalsContact C-N 3.32Å; E29-E31 PolarHBondContact O-N 2.57Å; E31-K34 PolarHBondContact O-N 2.72Å; E31-K34 IonicContact OE1-NZ 2.72Å; E31-K34 WeakPolarHBondContact OE2-CD 3.31Å; E31-K34 IonicContact OE2-NZ 3.22Å; E31-K34 PolarHBondContact OE2-NZ 2.9Å; E31-A35 PolarHBondContact O-N 3.42Å
32	L	83.9	Confident	81.6	Confident	125 Å²	125	101.4 Å²	101.4	65%	0.654	52%	0.516	S	S	*	.	H	α-helix	trans	-62.4	-43.1	170.7	-80.4	162.7	0	0	0	112.1	Q28 E29 A35 A36	Q28-L32 PolarHBondContact O-N 2.92Å; E29-L32 PolarHBondContact O-N 3.37Å; L32-A35 PolarHBondContact O-N 2.92Å; L32-A36 WeakPolarHBondContact O-CB 3.41Å; L32-A36 PolarHBondContact O-N 2.84Å
33	V	78.1	Confident	81.4	Confident	99 Å²	99	98.7 Å²	98.7	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-64.1	-40.7	176	170.8	0	0	0	0	111.6	E29 M30 A35 A36 L37	E29-V33 WeakPolarHBondContact O-CG2 3.44Å; E29-V33 PolarHBondContact O-N 2.71Å; M30-V33 PolarHBondContact O-N 3.3Å; V33-A35 PolarHBondContact O-N 2.89Å; V33-A36 PolarHBondContact O-N 3.36Å; V33-L37 WeakPolarHBondContact O-CB 3.47Å; V33-L37 PolarHBondContact O-N 3.37Å
34	K	80.4	Confident	81	Confident	99 Å²	99	98.9 Å²	98.9	43%	0.43	51%	0.513	S	S	.	.	H	α-helix	trans	-61.3	-42.5	173.4	-70.6	164.3	-165.2	160.4	0	111.9	M30 E31 L37 A38	M30-K34 VanDerWaalsContact O-CG 3.28Å; M30-K34 WeakPolarHBondContact O-CG 3.41Å; M30-K34 PolarHBondContact O-N 2.69Å; M30-K34 WeakPolarHBondContact SD-CE 3.49Å; M30-K34 PolarHBondContact SD-NZ 3Å; E31-K34 PolarHBondContact O-N 2.72Å; E31-K34 IonicContact OE1-NZ 2.72Å; E31-K34 WeakPolarHBondContact OE2-CD 3.31Å; E31-K34 IonicContact OE2-NZ 3.22Å; E31-K34 PolarHBondContact OE2-NZ 2.9Å; K34-L37 PolarHBondContact O-N 2.86Å; K34-A38 WeakPolarHBondContact O-CB 3.26Å; K34-A38 PolarHBondContact O-N 2.87Å
35	A	83.1	Confident	80.4	Confident	61 Å²	61	100.5 Å²	100.5	50%	0.504	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-44.7	177.8	0	0	0	0	0	112	E31 L32 V33 L37 A38 E39	E31-A35 PolarHBondContact O-N 3.42Å; L32-A35 PolarHBondContact O-N 2.92Å; V33-A35 PolarHBondContact O-N 2.89Å; A35-L37 PolarHBondContact O-N 2.77Å; A35-A38 PolarHBondContact O-N 2.97Å; A35-E39 PolarHBondContact O-N 3.01Å
36	A	81.7	Confident	79.7	Confident	64 Å²	64	102.8 Å²	102.8	53%	0.529	53%	0.528	S	S	.	.	H	α-helix	trans	-62.1	-41.3	175.8	0	0	0	0	0	112.3	L32 V33 E39 A40	L32-A36 WeakPolarHBondContact O-CB 3.41Å; L32-A36 PolarHBondContact O-N 2.84Å; V33-A36 PolarHBondContact O-N 3.36Å; A36-E39 PolarHBondContact O-N 2.89Å; A36-A40 WeakPolarHBondContact O-CB 3.38Å; A36-A40 PolarHBondContact O-N 2.89Å
37	L	76.8	Confident	78.7	Confident	109 Å²	109	104.1 Å²	104.1	57%	0.571	54%	0.535	S	S	*	.	H	α-helix	trans	-66.2	-40.3	175.8	-175.9	65	0	0	0	112.1	V33 K34 A35 E39 A40 L41	V33-L37 WeakPolarHBondContact O-CB 3.47Å; V33-L37 PolarHBondContact O-N 3.37Å; K34-L37 PolarHBondContact O-N 2.86Å; A35-L37 PolarHBondContact O-N 2.77Å; L37-E39 VanDerWaalsContact C-N 3.34Å; L37-A40 PolarHBondContact O-N 2.96Å; L37-L41 HydrophobicContact CG-CD1 4.29Å; L37-L41 WeakPolarHBondContact O-CB 3.15Å; L37-L41 VanDerWaalsContact O-CG 3.31Å; L37-L41 WeakPolarHBondContact O-CG 3.39Å; L37-L41 PolarHBondContact O-N 3.28Å
38	A	80.9	Confident	76.9	Confident	60 Å²	60	104.5 Å²	104.5	50%	0.496	54%	0.544	S	S	.	.	H	α-helix	trans	-63.3	-39.9	175.9	0	0	0	0	0	112	K34 A35 L41 R42	K34-A38 WeakPolarHBondContact O-CB 3.26Å; K34-A38 PolarHBondContact O-N 2.87Å; A35-A38 PolarHBondContact O-N 2.97Å; A38-L41 PolarHBondContact O-N 3Å; A38-R42 PolarHBondContact O-N 3.16Å
39	E	83.2	Confident	75	Confident	79 Å²	79	103 Å²	103	37%	0.369	55%	0.546	S	S	.	.	H	α-helix	trans	-70	-40.9	175.7	-177.6	58.9	-167.6	0	0	112.1	A35 A36 L37 L41 R42 L43	A35-E39 PolarHBondContact O-N 3.01Å; A36-E39 PolarHBondContact O-N 2.89Å; L37-E39 VanDerWaalsContact C-N 3.34Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 2.6Å; E39-R42 WeakPolarHBondContact O-CA 3.46Å; E39-R42 WeakPolarHBondContact O-CB 3.44Å; E39-R42 PolarHBondContact O-N 2.91Å; E39-R42 IonicContact OE1-CZ 3.39Å; E39-R42 IonicContact OE1-NE 3.28Å; E39-R42 PolarHBondContact OE1-NE 2.84Å; E39-R42 IonicContact OE1-NH2 2.68Å; E39-R42 PolarHBondContact OE1-NH2 3.47Å; E39-R42 IonicContact OE2-CZ 3.62Å; E39-R42 IonicContact OE2-NE 2.75Å; E39-R42 PolarHBondContact OE2-NE 3.26Å; E39-R42 IonicContact OE2-NH2 3.65Å; E39-L43 HydrophobicContact CG-CD1 4.25Å; E39-L43 WeakPolarHBondContact O-CG 3.48Å; E39-L43 PolarHBondContact O-N 3.26Å
40	A	78.1	Confident	73.1	Confident	45 Å²	45	104 Å²	104	37%	0.372	56%	0.562	S	S	.	*	H	α-helix	trans	-58.7	-42.3	173	0	0	0	0	0	112	A36 L37 R42 L43 L44	A36-A40 WeakPolarHBondContact O-CB 3.38Å; A36-A40 PolarHBondContact O-N 2.89Å; L37-A40 PolarHBondContact O-N 2.96Å; A40-R42 VanDerWaalsContact C-N 3.33Å; A40-R42 PolarHBondContact O-N 2.65Å; A40-L43 PolarHBondContact O-N 3.45Å; A40-L44 WeakPolarHBondContact O-CB 3.45Å; A40-L44 WeakPolarHBondContact O-CG 3.44Å; A40-L44 PolarHBondContact O-N 2.78Å
41	L	78.2	Confident	71.1	Confident	90 Å²	90	104.5 Å²	104.5	47%	0.471	58%	0.575	S	S	.	*	H	α-helix	trans	-67.1	-30.8	173.8	-71.2	169.3	0	0	0	113	L37 A38 E39 R45	L37-L41 HydrophobicContact CG-CD1 4.29Å; L37-L41 WeakPolarHBondContact O-CB 3.15Å; L37-L41 VanDerWaalsContact O-CG 3.31Å; L37-L41 WeakPolarHBondContact O-CG 3.39Å; L37-L41 PolarHBondContact O-N 3.28Å; A38-L41 PolarHBondContact O-N 3Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 2.6Å; L41-R45 VanDerWaalsContact O-CG 3.29Å; L41-R45 WeakPolarHBondContact O-CG 3.35Å; L41-R45 PolarHBondContact O-N 2.91Å
42	R	87.3	Confident	68.8	Low	127 Å²	127	104.1 Å²	104.1	48%	0.479	59%	0.585	S	S	.	*	H	α-helix	trans	-68.6	-43.2	172.9	-165.7	-173.7	72.9	84.7	4.4	111.3	A38 E39 A40 R45 L46	A38-R42 PolarHBondContact O-N 3.16Å; E39-R42 WeakPolarHBondContact O-CA 3.46Å; E39-R42 WeakPolarHBondContact O-CB 3.44Å; E39-R42 PolarHBondContact O-N 2.91Å; E39-R42 IonicContact OE1-CZ 3.39Å; E39-R42 IonicContact OE1-NE 3.28Å; E39-R42 PolarHBondContact OE1-NE 2.84Å; E39-R42 IonicContact OE1-NH2 2.68Å; E39-R42 PolarHBondContact OE1-NH2 3.47Å; E39-R42 IonicContact OE2-CZ 3.62Å; E39-R42 IonicContact OE2-NE 2.75Å; E39-R42 PolarHBondContact OE2-NE 3.26Å; E39-R42 IonicContact OE2-NH2 3.65Å; A40-R42 VanDerWaalsContact C-N 3.33Å; A40-R42 PolarHBondContact O-N 2.65Å; R42-R45 PolarHBondContact O-N 2.75Å; R42-L46 WeakPolarHBondContact O-CG 3.34Å; R42-L46 PolarHBondContact O-N 2.82Å
43	L	78.8	Confident	66.2	Low	84 Å²	84	106.6 Å²	106.6	44%	0.44	60%	0.598	S	S	.	*	H	α-helix	trans	-67.4	-42.7	178.5	-67.4	170.3	0	0	0	112	E39 A40 R45 L46 Q47	E39-L43 HydrophobicContact CG-CD1 4.25Å; E39-L43 WeakPolarHBondContact O-CG 3.48Å; E39-L43 PolarHBondContact O-N 3.26Å; A40-L43 PolarHBondContact O-N 3.45Å; L43-R45 VanDerWaalsContact C-N 3.28Å; L43-R45 PolarHBondContact O-N 3.14Å; L43-L46 WeakPolarHBondContact O-CB 3.13Å; L43-L46 PolarHBondContact O-N 2.88Å; L43-Q47 PolarHBondContact O-N 3.02Å
44	L	71.3	Confident	64	Low	105 Å²	105	111.2 Å²	111.2	55%	0.55	61%	0.613	S	S	.	*	H	α-helix	trans	-57.7	-39.3	173.1	-80.6	163	0	0	0	112.4	A40 L46 Q47	A40-L44 WeakPolarHBondContact O-CB 3.45Å; A40-L44 WeakPolarHBondContact O-CG 3.44Å; A40-L44 PolarHBondContact O-N 2.78Å; L44-L46 PolarHBondContact O-N 3.35Å; L44-Q47 PolarHBondContact O-N 2.74Å
45	R	70.6	Confident	61.7	Low	208 Å²	208	113.5 Å²	113.5	79%	0.785	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-16.1	175.6	-74.1	172.9	177.6	-170.2	-1.3	114.2	L41 R42 L43	L41-R45 VanDerWaalsContact O-CG 3.29Å; L41-R45 WeakPolarHBondContact O-CG 3.35Å; L41-R45 PolarHBondContact O-N 2.91Å; R42-R45 PolarHBondContact O-N 2.75Å; L43-R45 VanDerWaalsContact C-N 3.28Å; L43-R45 PolarHBondContact O-N 3.14Å
46	L	72.5	Confident	59.2	Low	118 Å²	118	116.2 Å²	116.2	62%	0.618	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-4.5	176.7	-69.2	167.1	0	0	0	113.2	R42 L43 L44	R42-L46 WeakPolarHBondContact O-CG 3.34Å; R42-L46 PolarHBondContact O-N 2.82Å; L43-L46 WeakPolarHBondContact O-CB 3.13Å; L43-L46 PolarHBondContact O-N 2.88Å; L44-L46 PolarHBondContact O-N 3.35Å
47	Q	57.9	Low	56.7	Low	150 Å²	150	116.1 Å²	116.1	70%	0.701	66%	0.656	S	S	*	*	S	Bend	trans	-96.4	4.1	179.5	-71.4	179.1	-27.3	0	0	113.9	L43 L44	L43-Q47 PolarHBondContact O-N 3.02Å; L44-Q47 PolarHBondContact O-N 2.74Å
48	V	45.6	Very low	54.5	Low	112 Å²	112	117.6 Å²	117.6	68%	0.679	67%	0.669	S	S	*	*			trans	-100.7	113.8	179.6	-175	0	0	0	0	110.4
49	P	44.5	Very low	52.6	Low	106 Å²	106	120.7 Å²	120.7	69%	0.688	68%	0.684	S	S	*	*			trans	-77.1	145.3	175	31.7	-34	0	0	0	111.6
50	P	43.2	Very low	50.2	Low	133 Å²	133	121.1 Å²	121.1	86%	0.864	70%	0.702	S	S	*	*			trans	-87.4	118.9	-178.3	32.5	-33.2	0	0	0	113.1
51	S	34.7	Very low	49.1	Very low	107 Å²	107	124.6 Å²	124.6	75%	0.748	72%	0.72	S	S	*	*			trans	-159	153.7	163.4	59	0	0	0	0	111.2
52	S	33.3	Very low	48	Very low	105 Å²	105	126.2 Å²	126.2	73%	0.734	74%	0.736	S	S	*	*			cis	-167.2	105	-31.2	49.3	0	0	0	0	109.3
53	L	30.3	Very low	45.2	Very low	178 Å²	178	123.9 Å²	123.9	93%	0.932	75%	0.752	S	S	*	*			trans	-138.8	117.6	166.5	-80	176.8	0	0	0	109.7
54	Q	32.5	Very low	42.9	Very low	195 Å²	195	127.9 Å²	127.9	91%	0.911	77%	0.773	S	S	*	*			trans	-89.6	152.2	172.9	-73.4	-179	-38.3	0	0	110.6
55	V	32.2	Very low	41	Very low	148 Å²	148	129 Å²	129	90%	0.897	79%	0.79	S	S	*	*			trans	-100.9	140.1	174.2	175	0	0	0	0	109.4
56	S	29.6	Very low	39.1	Very low	118 Å²	118	123.3 Å²	123.3	83%	0.825	78%	0.782	S	S	*	*			trans	-137	119	167.1	47.9	0	0	0	0	111.9
57	G	29.2	Very low	37.1	Very low	62 Å²	62	127.1 Å²	127.1	64%	0.639	79%	0.794	S	S	*	*			trans	-92.2	178.3	151.2	0	0	0	0	0	109.2
58	T	31.6	Very low	35.7	Very low	139 Å²	139	124.7 Å²	124.7	85%	0.853	80%	0.8	S	S	*	*			cis	-169	-175.8	6.3	14.9	0	0	0	0	105.8
59	P	41	Very low	34.9	Very low	125 Å²	125	123.7 Å²	123.7	81%	0.812	80%	0.803	S	S	*	*			cis	-126.8	-154.1	-6.9	38.9	-18	0	0	0	113.3
60	A	31.8	Very low	35.4	Very low	89 Å²	89	124.3 Å²	124.3	74%	0.736	81%	0.807	S	S	*	*			trans	-120.2	-161.9	177.2	0	0	0	0	0	110.7
61	P	55.3	Low	35.9	Very low	117 Å²	117	124 Å²	124	76%	0.76	81%	0.805	S	S	*	*			cis	-134.2	-139.7	-7.3	45.8	-25.5	0	0	0	110.9
62	P	55.7	Low	35.5	Very low	125 Å²	125	122.5 Å²	122.5	81%	0.812	81%	0.807	S	S	*	*			cis	-124.5	-175.3	-33.5	40.6	-25.4	0	0	0	113.5
63	G	27.4	Very low	35.5	Very low	78 Å²	78	125.5 Å²	125.5	80%	0.804	81%	0.814	S	S	*	*			trans	174	119.8	162.7	0	0	0	0	0	115.9
64	D	31.7	Very low	36.1	Very low	167 Å²	167	122.6 Å²	122.6	89%	0.893	81%	0.805	S	S	*	*			trans	-96.3	149.2	175.7	-72	-62	0	0	0	113
65	S	30.1	Very low	37.1	Very low	129 Å²	129	118 Å²	118	90%	0.902	79%	0.792	S	S	*	*			trans	177.2	161.8	131.2	37.1	0	0	0	0	112.4
66	S	31.5	Very low	37	Very low	89 Å²	89	117.1 Å²	117.1	62%	0.622	79%	0.788	S	S	*	*			trans	-112.9	165.9	179.7	56.8	0	0	0	0	111.6
67	F	29.8	Very low	36.8	Very low	198 Å²	198	117 Å²	117	87%	0.868	79%	0.786	S	S	*	*				171.7	136.5	124.3	-92.7	-62.4	0	0	0	114.5
68	A	28.3	Very low	36.7	Very low	99 Å²	99	120.2 Å²	120.2	82%	0.818	79%	0.793	S	S	*	*			trans	60.9	149.6	143.1	0	0	0	0	0	124
69	A	30	Very low	38	Very low	90 Å²	90	119 Å²	119	74%	0.744	79%	0.788	S	S	*	*			trans	-138.3	-165.5	163.7	0	0	0	0	0	106.2
70	P	55.4	Low	37.4	Very low	119 Å²	119	118.7 Å²	118.7	77%	0.773	79%	0.788	S	S	*	*			cis	-118.7	-132.1	-10.9	36.2	-13	0	0	0	108.2
71	P	53.3	Low	37.3	Very low	126 Å²	126	121.9 Å²	121.9	82%	0.818	79%	0.792	S	S	*	*			cis	-130.1	-173.4	-25.7	39.8	-22	0	0	0	114.6
72	G	26.6	Very low	36	Very low	77 Å²	77	121.9 Å²	121.9	79%	0.794	79%	0.79	S	S	*	*			trans	158.5	105.7	158.3	0	0	0	0	0	117
73	L	32.5	Very low	34.6	Very low	168 Å²	168	121.4 Å²	121.4	88%	0.88	79%	0.789	S	S	*	*			trans	-112.6	169.9	164	-87.5	171	0	0	0	107.9
74	P	42.7	Very low	34.7	Very low	116 Å²	116	129.3 Å²	129.3	75%	0.753	80%	0.795	S	S	*	*			cis	-146.2	-135.4	39.9	36.5	-7.5	0	0	0	115.4
75	P	52.9	Low	34.5	Very low	98 Å²	98	124.6 Å²	124.6	64%	0.636	79%	0.785	S	S	*	*				-137.5	-165.5	-106.2	45.6	-25.9	0	0	0	117.4
76	T	30	Very low	34.4	Very low	131 Å²	131	125.4 Å²	125.4	80%	0.804	79%	0.785	S	S	*	*			trans	73.4	154.3	162.9	58.9	0	0	0	0	118.1
77	C	26.3	Very low	34.4	Very low	116 Å²	116	129.3 Å²	129.3	78%	0.784	79%	0.793	S	S	*	*			cis	-150.3	176.9	2.6	-137	0	0	0	0	113.4
78	T	27	Very low	34.4	Very low	129 Å²	129	126 Å²	126	79%	0.791	79%	0.79	S	S	*	*			trans	-124.8	-168.9	172.7	52.4	0	0	0	0	110
79	P	59.3	Low	34.5	Very low	114 Å²	114	129.6 Å²	129.6	74%	0.74	79%	0.79	S	S	*	*				-125.9	175.2	-61.6	37	-22.4	0	0	0	113.4
80	S	27.1	Very low	34.4	Very low	117 Å²	117	132.5 Å²	132.5	82%	0.818	80%	0.798	S	S	*	*			trans	-174.1	167.8	165.9	48.7	0	0	0	0	112.3
81	L	30.1	Very low	33.2	Very low	157 Å²	157	135.5 Å²	135.5	82%	0.822	80%	0.802	S	S	*	*			cis	-172.1	128.2	-49.5	-127.5	158.5	0	0	0	108.6
82	V	28.5	Very low	32.1	Very low	116 Å²	116	135.2 Å²	135.2	70%	0.703	80%	0.798	S	S	*	*			trans	8.2	128.1	161	177.7	0	0	0	0	121.2
83	S	26.8	Very low	32.1	Very low	115 Å²	115	139.2 Å²	139.2	80%	0.804	80%	0.796	S	S	*	*			trans	-178.6	137.2	131	-76	0	0	0	0	108.9
84	R	29.3	Very low	31.9	Very low	245 Å²	245	140 Å²	140	93%	0.925	79%	0.793	S	S	*	*			cis	90.2	114.3	17	-153.5	-177.1	-163.8	-154.1	4.4	115.6
85	G	26.7	Very low	31.1	Very low	67 Å²	67	142.9 Å²	142.9	69%	0.691	79%	0.793	S	S	*	*			trans	106.2	145.8	-179.9	0	0	0	0	0	112.8
86	T	28.5	Very low	29.8	Very low	147 Å²	147	143.8 Å²	143.8	90%	0.902	80%	0.797	S	S	*	*			cis	-156.6	175	-3.4	-19.5	0	0	0	0	111
87	Q	31.8	Very low	30	Very low	170 Å²	170	142.9 Å²	142.9	79%	0.794	80%	0.796	S	S	*	*			trans	-92.4	158.7	-176.1	-58.2	153.9	-72.6	0	0	113.7
88	T	28.9	Very low	31.1	Very low	129 Å²	129	143.9 Å²	143.9	79%	0.791	80%	0.801	S	S	*	*			trans	171.9	113.6	136.4	36.4	0	0	0	0	107.2
89	E	31.2	Very low	31.1	Very low	175 Å²	175	141 Å²	141	82%	0.818	80%	0.797	S	S	*	*				72.4	111.1	74	-73.6	-169.7	165.7	0	0	115.9
90	T	27.7	Very low	31.3	Very low	151 Å²	151	141.7 Å²	141.7	93%	0.926	80%	0.801	S	S	*	*			trans	-173.1	148.5	136.3	11.2	0	0	0	0	111.7
91	E	29.6	Very low	32.8	Very low	182 Å²	182	142.4 Å²	142.4	85%	0.85	80%	0.804	S	S	*	*			trans	-92.2	176.8	176.3	-60.4	170.7	119.5	0	0	110.2
92	V	29.7	Very low	32.6	Very low	119 Å²	119	138.2 Å²	138.2	72%	0.721	80%	0.798	S	S	*	*				-179.3	140.1	69.5	160	0	0	0	0	111.7
93	E	28.1	Very low	32.9	Very low	162 Å²	162	141.3 Å²	141.3	76%	0.757	81%	0.81	S	S	*	*			trans	40.2	120.8	151.5	-66.7	-168.7	112.3	0	0	127.9
94	F	27.2	Very low	33.2	Very low	185 Å²	185	140.2 Å²	140.2	81%	0.811	80%	0.802	S	S	*	*				57.1	145.9	118.1	-90.2	-74.5	0	0	0	128.2
95	K	27.1	Very low	33.3	Very low	176 Å²	176	136.4 Å²	136.4	77%	0.765	80%	0.8	S	S	*	*			trans	103	95.3	140.5	-84.5	169.9	-175.1	167.6	0	124.8
96	T	25.7	Very low	33.4	Very low	116 Å²	116	136.9 Å²	136.9	71%	0.712	81%	0.805	S	S	*	*				52.8	122.7	118.9	59.1	0	0	0	0	126.2
97	S	34.3	Very low	34.8	Very low	113 Å²	113	135.9 Å²	135.9	79%	0.79	80%	0.801	S	S	*	*			trans	61.1	173.1	137.7	66.6	0	0	0	0	120.7
98	P	48.9	Very low	36	Very low	136 Å²	136	133.3 Å²	133.3	88%	0.883	80%	0.799	S	S	*	*			cis	-126.7	-149.9	0.3	43.1	-23.7	0	0	0	115.6
99	G	25.9	Very low	36.2	Very low	70 Å²	70	131.7 Å²	131.7	72%	0.722	80%	0.799	S	S	*	*			trans	-144.1	-110.6	-162.1	0	0	0	0	0	123.3
100	P	63.4	Low	37.2	Very low	127 Å²	127	129.6 Å²	129.6	83%	0.825	80%	0.8	S	S	*	*			trans	-81.9	-178	-145.4	37.2	-42.9	0	0	0	117.5
101	P	58.3	Low	37.5	Very low	133 Å²	133	131.7 Å²	131.7	86%	0.864	80%	0.799	S	S	*	*			cis	-148.9	-163.7	25.2	46	-23.8	0	0	0	119.2
102	G	27.7	Very low	37.5	Very low	68 Å²	68	126.7 Å²	126.7	70%	0.701	80%	0.797	S	S	*	*			trans	-176.7	157.3	169.7	0	0	0	0	0	115.6
103	L	34.2	Very low	37.4	Very low	182 Å²	182	125.5 Å²	125.5	95%	0.953	80%	0.8	S	S	*	*			trans	-147.1	-173.5	-172.5	-54.9	170.5	0	0	0	112
104	S	33	Very low	37.4	Very low	91 Å²	91	123.1 Å²	123.1	64%	0.636	80%	0.801	S	S	*	*			cis	-168.2	170	11.9	67	0	0	0	0	114.4
105	N	31.2	Very low	37.6	Very low	166 Å²	166	123.5 Å²	123.5	89%	0.888	81%	0.805	S	S	*	*			trans	69	139.5	148.6	-62.3	-16.4	0	0	0	125.4
106	G	28.3	Very low	37.8	Very low	77 Å²	77	123.2 Å²	123.2	79%	0.794	81%	0.807	S	S	*	*			trans	130.9	120.9	141.3	0	0	0	0	0	122
107	P	58.7	Low	38.7	Very low	126 Å²	126	123.7 Å²	123.7	82%	0.818	81%	0.811	S	S	*	*			trans	-126	-154.8	170.4	45.8	-32.7	0	0	0	112.4
108	P	56.9	Low	38.4	Very low	116 Å²	116	123.8 Å²	123.8	75%	0.753	81%	0.812	S	S	*	*			cis	-139.9	174.6	-14	43.2	-25.3	0	0	0	118.4
109	A	33.5	Very low	37.5	Very low	95 Å²	95	120.2 Å²	120.2	79%	0.785	80%	0.8	S	S	*	*			trans	64.5	173.8	149.3	0	0	0	0	0	120.6
110	P	51.7	Low	37.9	Very low	131 Å²	131	123.5 Å²	123.5	85%	0.851	81%	0.806	S	S	*	*			cis	-132.6	-151.3	1.4	45.4	-26.2	0	0	0	116.2
111	Q	33.6	Very low	36.4	Very low	194 Å²	194	126 Å²	126	91%	0.907	81%	0.807	S	S	*	*			trans	-105.9	164.7	-172.1	-57.3	168	-26.3	0	0	114.3
112	G	28.9	Very low	35.3	Very low	77 Å²	77	124.2 Å²	124.2	79%	0.794	80%	0.797	S	S	*	*			trans	167.5	96.4	159.5	0	0	0	0	0	121.1
113	A	28.9	Very low	35.6	Very low	95 Å²	95	130.3 Å²	130.3	79%	0.785	81%	0.808	S	S	*	*			trans	53.9	141.6	137	0	0	0	0	0	126.7
114	S	28.1	Very low	35.4	Very low	111 Å²	111	125.3 Å²	125.3	78%	0.776	80%	0.8	S	S	*	*				89.7	147.8	128.9	56.9	0	0	0	0	125.3
115	E	30.3	Very low	35.3	Very low	193 Å²	193	125.2 Å²	125.2	90%	0.902	81%	0.813	S	S	*	*			trans	100.8	126.2	156.7	-52.3	-148.6	130.3	0	0	121.5
116	E	32.6	Very low	35.3	Very low	171 Å²	171	120.4 Å²	120.4	80%	0.799	80%	0.803	S	S	*	*			trans	-97.3	165.7	164	-139.8	-170.3	-126.8	0	0	107.3
117	P	43.5	Very low	35.6	Very low	125 Å²	125	122.8 Å²	122.8	81%	0.812	81%	0.808	S	S	*	*				-153.1	-162.6	75.6	40.4	-18.2	0	0	0	115.2
118	S	29.5	Very low	34.6	Very low	115 Å²	115	122 Å²	122	80%	0.804	81%	0.805	S	S	*	*			trans	-108.5	164.9	-158.1	56.4	0	0	0	0	117.4
119	G	30.2	Very low	33.6	Very low	62 Å²	62	121.2 Å²	121.2	64%	0.639	80%	0.802	S	S	*	*			trans	131.9	151.3	152.3	0	0	0	0	0	116.6
120	T	32.5	Very low	33.7	Very low	138 Å²	138	122 Å²	122	85%	0.847	80%	0.803	S	S	*	*			cis	-169.5	173	-9.5	-2.3	0	0	0	0	111.2
121	Q	31.8	Very low	32.7	Very low	181 Å²	181	119.7 Å²	119.7	85%	0.846	80%	0.802	S	S	*	*			trans	82	146.9	167	-53.8	-174.5	0.3	0	0	119
122	S	36.9	Very low	32.7	Very low	94 Å²	94	115.7 Å²	115.7	66%	0.657	80%	0.802	S	S	*	*			cis	-169.8	170.8	-30.5	51.9	0	0	0	0	112.1
123	E	34.1	Very low	32.7	Very low	196 Å²	196	115.9 Å²	115.9	92%	0.916	81%	0.805	S	S	*	*			trans	73.5	141.5	173.3	-49.6	-163.7	163.9	0	0	117.2
124	G	30	Very low	32.9	Very low	77 Å²	77	117.2 Å²	117.2	79%	0.794	81%	0.808	S	S	*	*			cis	-159.8	168.5	-3.2	0	0	0	0	0	112
125	G	31	Very low	33.7	Very low	89 Å²	89	118 Å²	118	92%	0.918	81%	0.811	S	S	*	*			trans	-88.2	-175.8	-172.5	0	0	0	0	0	115.9
126	G	30.8	Very low	33.5	Very low	65 Å²	65	112.2 Å²	112.2	67%	0.67	80%	0.802	S	S	*	*			cis	166.9	169.3	-1.7	0	0	0	0	0	112.7
127	S	34.4	Very low	34.8	Very low	128 Å²	128	110 Å²	110	90%	0.895	80%	0.803	S	S	*	*			trans	62	149.5	179.3	64.2	0	0	0	0	117.2
128	S	36.9	Very low	35	Very low	108 Å²	108	110.3 Å²	110.3	76%	0.755	81%	0.805	S	S	*	*			cis	-165.8	-169.9	-21.5	64.3	0	0	0	0	106.6
129	S	36.4	Very low	34.9	Very low	100 Å²	100	108.3 Å²	108.3	70%	0.699	80%	0.802	S	S	*	*			cis	-172.4	153.2	-3.8	22.9	0	0	0	0	107.6
130	S	35.6	Very low	35.2	Very low	113 Å²	113	113 Å²	113	79%	0.79	81%	0.811	S	S	*	*			cis	-176.5	112.7	-20.7	48.8	0	0	0	0	111.4
131	G	30.2	Very low	34.9	Very low	82 Å²	82	114.5 Å²	114.5	85%	0.845	81%	0.813	S	S	*	*			trans	88	175.8	163.1	0	0	0	0	0	118
132	A	34.4	Very low	34.9	Very low	109 Å²	109	117.1 Å²	117.1	90%	0.901	82%	0.815	S	S	*	*			cis	-170.6	153.1	-19	0	0	0	0	0	111.1
133	G	28.3	Very low	35.4	Very low	82 Å²	82	117.7 Å²	117.7	85%	0.845	82%	0.817	S	S	*	*			trans	111	134.7	155.8	0	0	0	0	0	118.8
134	S	34.1	Very low	34.9	Very low	122 Å²	122	116.6 Å²	116.6	85%	0.853	82%	0.816	S	S	*	*			trans	-91.5	-176.4	159.5	-47.7	0	0	0	0	109.2
135	P	43.6	Very low	34.8	Very low	129 Å²	129	121.4 Å²	121.4	84%	0.838	82%	0.818	S	S	*	*			cis	-140	-175.9	2.6	43.9	-25.8	0	0	0	116.2
136	G	27.1	Very low	35.6	Very low	70 Å²	70	121.8 Å²	121.8	72%	0.722	80%	0.804	S	S	*	*			trans	107.4	143.7	145.3	0	0	0	0	0	119.5
137	P	59.8	Low	36.1	Very low	126 Å²	126	124 Å²	124	82%	0.818	81%	0.806	S	S	*	*			trans	-96.2	-169.2	166.9	42.8	-37.1	0	0	0	110.9
138	P	47.7	Very low	36	Very low	131 Å²	131	124.4 Å²	124.4	85%	0.851	79%	0.794	S	S	*	*			cis	-134.7	-171	1.9	43.8	-26.1	0	0	0	115.2
139	G	27.8	Very low	35.6	Very low	72 Å²	72	130 Å²	130	74%	0.742	80%	0.799	S	S	*	*			trans	175	152	166.4	0	0	0	0	0	115.3
140	I	35.3	Very low	35.2	Very low	162 Å²	162	129.1 Å²	129.1	83%	0.831	80%	0.798	S	S	*	*			trans	-141	137.4	-178.7	-49.2	175.5	0	0	0	110
141	L	26.9	Very low	34.7	Very low	169 Å²	169	131.2 Å²	131.2	89%	0.885	80%	0.8	S	S	*	*			trans	160.5	164.5	132.5	-84.4	168.9	0	0	0	114.2
142	R	31.7	Very low	34.6	Very low	235 Å²	235	133.4 Å²	133.4	89%	0.887	80%	0.797	S	S	*	*			trans	-103.3	-162.6	174	-48.7	172.8	166	171.7	-6.5	109.4
143	P	47.3	Very low	35.3	Very low	107 Å²	107	133.1 Å²	133.1	70%	0.695	79%	0.786	S	S	*	*			cis	-135.3	179.6	-16.9	29.4	-6.5	0	0	0	115.1
144	L	24.1	Very low	35.1	Very low	172 Å²	172	139.6 Å²	139.6	90%	0.901	79%	0.785	S	S	*	*				163.3	173.1	122.5	-86.8	164.6	0	0	0	116.6
145	Q	28.3	Very low	34.8	Very low	178 Å²	178	144.1 Å²	144.1	83%	0.832	78%	0.783	S	S	*	*			trans	-113.4	-168	-174	-112.3	-175.3	-14.1	0	0	111
146	P	47.1	Very low	34	Very low	97 Å²	97	143.6 Å²	143.6	63%	0.63	77%	0.773	S	S	*	*			cis	-112.4	-124.3	-1.6	44	-28.4	0	0	0	110.7
147	P	42.3	Very low	34.1	Very low	111 Å²	111	144.7 Å²	144.7	72%	0.721	77%	0.77	S	S	*	*			cis	-99	-167.3	-7.8	39.1	-23.3	0	0	0	111.6
148	Q	30.9	Very low	32.5	Very low	137 Å²	137	144.1 Å²	144.1	64%	0.64	77%	0.769	S	S	*	*			cis	80.9	141.9	13.1	-57	-163.8	66.1	0	0	117
149	R	29.2	Very low	31.5	Very low	227 Å²	227	143.8 Å²	143.8	86%	0.857	77%	0.77	S	S	*	*			cis	-155.1	169.8	-1.5	-130.1	178.4	-171.8	174.6	5.2	113.7
150	A	27.6	Very low	31.4	Very low	81 Å²	81	145.8 Å²	145.8	67%	0.669	77%	0.773	S	S	*	*			trans	-44.5	162.8	-179.2	0	0	0	0	0	121.6
151	D	25.9	Very low	30.9	Very low	156 Å²	156	143.4 Å²	143.4	83%	0.834	77%	0.77	S	S	*	*				-174.1	179.8	108.8	-103	-28.7	0	0	0	115.9
152	T	27.9	Very low	30.8	Very low	128 Å²	128	140.7 Å²	140.7	79%	0.785	77%	0.766	S	S	*	*			trans	-144.8	-167	-177.9	66.8	0	0	0	0	109.9
153	P	48.2	Very low	31.1	Very low	104 Å²	104	135 Å²	135	68%	0.675	76%	0.759	S	S	*	*			cis	-141	-162.1	-8.9	34.5	-9.8	0	0	0	115.7
154	R	25.5	Very low	30.1	Very low	218 Å²	218	135.5 Å²	135.5	82%	0.823	77%	0.765	S	S	*	*			trans	91.5	120.3	147.2	-79.3	174.4	176.1	-169.5	0.8	123.9
155	R	26.3	Very low	30.1	Very low	216 Å²	216	135.4 Å²	135.4	82%	0.815	76%	0.76	S	S	*	*			trans	63.8	155	130.3	-76.4	-168.7	165.6	179.3	-3.7	119.8
156	N	26.2	Very low	30	Very low	118 Å²	118	138.2 Å²	138.2	63%	0.631	76%	0.763	S	S	*	*			cis	-158.2	154.1	7.7	-140.2	33.4	0	0	0	113.7
157	S	29.8	Very low	29.2	Very low	94 Å²	94	139.2 Å²	139.2	66%	0.657	77%	0.77	S	S	*	*			trans	46.6	148.2	142.6	57.6	0	0	0	0	123.4
158	S	27.7	Very low	28.4	Very low	113 Å²	113	145 Å²	145	79%	0.79	78%	0.777	S	S	*	*			cis	178.5	148.1	-12.7	51.6	0	0	0	0	112.4
159	S	25.3	Very low	28.2	Very low	124 Å²	124	147.3 Å²	147.3	87%	0.867	79%	0.788	S	S	*	*			trans	-155.6	159.8	143.7	56.5	0	0	0	0	110.9
160	S	25.9	Very low	28.1	Very low	115 Å²	115	146.3 Å²	146.3	80%	0.804	79%	0.789	S	S	*	*			trans	-103.2	171.3	-172.6	58.6	0	0	0	0	111.4
161	S	25.2	Very low	28	Very low	111 Å²	111	150.9 Å²	150.9	78%	0.776	80%	0.802	S	S	*	*			cis	-156.7	170.7	26.5	49.5	0	0	0	0	113.6
162	S	25	Very low	28	Very low	113 Å²	113	148.3 Å²	148.3	79%	0.79	80%	0.796	S	S	*	*			trans	-110.3	-171.6	-179.4	-33.1	0	0	0	0	109.7
163	P	37.1	Very low	28.1	Very low	115 Å²	115	154.1 Å²	154.1	75%	0.747	80%	0.803	S	S	*	*			cis	-147.3	-177.1	19.1	44.8	-24.1	0	0	0	119.7
164	S	26	Very low	27.1	Very low	117 Å²	117	157.3 Å²	157.3	82%	0.818	81%	0.807	S	S	*	*			trans	100.7	93.3	148.1	73.2	0	0	0	0	120.2
165	E	23.9	Very low	27.2	Very low	170 Å²	170	152.1 Å²	152.1	79%	0.794	81%	0.81	S	S	*	*			trans	-82	161.4	153.7	-74.5	-163.2	121.5	0	0	112
166	R	27.1	Very low	27.2	Very low	238 Å²	238	148.1 Å²	148.1	90%	0.898	80%	0.804	S	S	*	*			trans	-125	152.2	153	-85.7	-171.9	175.1	-169.6	-0	109.3
167	P	29.4	Very low	27.2	Very low	118 Å²	118	147.3 Å²	147.3	77%	0.766	81%	0.807	S	S	*	*			trans	-76.9	138.8	-153.5	28.2	-36.2	0	0	0	114.7	Q169	P167-Q169 PolarHBondContact O-N 3.34Å
168	R	26.4	Very low	27.3	Very low	232 Å²	232	149.2 Å²	149.2	88%	0.875	82%	0.821	S	S	*	*			trans	-66.7	111.3	168.5	-66.5	178.1	176.9	-177.6	-2.5	110.5
169	Q	27.2	Very low	27.4	Very low	185 Å²	185	147 Å²	147	86%	0.864	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.8	141.3	166.2	-73	-174.2	-22.3	0	0	110.5	P167	P167-Q169 PolarHBondContact O-N 3.34Å
170	K	26.2	Very low	27.5	Very low	206 Å²	206	148.7 Å²	148.7	90%	0.896	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-77.8	121.6	178.5	-71.5	177.8	174.9	179.1	0	110	S172	K170-S172 PolarHBondContact O-N 2.91Å
171	L	26.1	Very low	27.5	Very low	177 Å²	177	151.6 Å²	151.6	93%	0.927	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-63.5	118	168.5	-73.8	163.6	0	0	0	110.2	R173	L171-R173 PolarHBondContact O-N 2.92Å
172	S	26.6	Very low	27.6	Very low	102 Å²	102	154.4 Å²	154.4	71%	0.713	82%	0.82	S	S	*	*			trans	-85.3	105.7	175.9	55.5	0	0	0	0	111	K170 K174	K170-S172 PolarHBondContact O-N 2.91Å; S172-K174 PolarHBondContact O-N 2.84Å
173	R	29.4	Very low	27.7	Very low	250 Å²	250	155.5 Å²	155.5	94%	0.943	82%	0.821	S	S	*	*			trans	-61.3	118.5	164.5	-73	-179.3	176.6	152.1	-2.4	109.5	L171	L171-R173 PolarHBondContact O-N 2.92Å
174	K	27.1	Very low	27.2	Very low	171 Å²	171	161.9 Å²	161.9	74%	0.743	83%	0.83	S	S	*	*			trans	-142.4	78.9	166.9	-84.1	-168.5	165.7	-168	0	110.2	S172 I176	S172-K174 PolarHBondContact O-N 2.84Å; K174-I176 HydrophobicContact CB-CG1 4.39Å; K174-I176 HydrophobicContact CD-CD1 4.31Å
175	A	27.3	Very low	27.2	Very low	109 Å²	109	162.1 Å²	162.1	90%	0.901	83%	0.832	S	S	*	*			trans	-69.3	128.5	144.5	0	0	0	0	0	106.8
176	I	25.8	Very low	27.2	Very low	133 Å²	133	157.8 Å²	157.8	68%	0.682	83%	0.833	S	S	*	*			trans	-120.5	114.5	173.4	-65.6	-180	0	0	0	106.2	K174	K174-I176 HydrophobicContact CB-CG1 4.39Å; K174-I176 HydrophobicContact CD-CD1 4.31Å
177	S	27.1	Very low	27.1	Very low	100 Å²	100	152.2 Å²	152.2	70%	0.699	83%	0.831	S	S	*	*			trans	-72	145.2	165.3	47.7	0	0	0	0	109.6	A179	S177-A179 PolarHBondContact O-N 3.34Å
178	S	30.6	Very low	27.1	Very low	135 Å²	135	153.1 Å²	153.1	94%	0.944	83%	0.834	S	S	*	*	S	Bend	trans	-70.3	73.6	178.6	-53.5	0	0	0	0	111.7
179	A	29.9	Very low	27.1	Very low	65 Å²	65	151.4 Å²	151.4	54%	0.537	84%	0.836	S	S	.	*			trans	-145.7	133.9	174.4	0	0	0	0	0	110.5	S177	S177-A179 PolarHBondContact O-N 3.34Å
180	N	28.5	Very low	27.2	Very low	160 Å²	160	148.1 Å²	148.1	86%	0.856	83%	0.833	S	S	*	*			trans	74.1	78.9	-177.3	-46.8	-60.2	0	0	0	116.1
181	L	26.4	Very low	27.3	Very low	176 Å²	176	150.1 Å²	150.1	92%	0.921	84%	0.835	S	S	*	*			trans	-141.5	55	153.5	-118.6	176.7	0	0	0	112.3
182	L	27.1	Very low	27.2	Very low	171 Å²	171	145.5 Å²	145.5	90%	0.895	83%	0.831	S	S	*	*			trans	-112.7	153.6	165.3	-80.6	171	0	0	0	110.3
183	V	26.9	Very low	27.3	Very low	136 Å²	136	144.4 Å²	144.4	82%	0.824	84%	0.835	S	S	*	*			trans	85.3	84.7	-171.2	-169.4	0	0	0	0	115.3
184	R	25.3	Very low	27.3	Very low	248 Å²	248	142.2 Å²	142.2	94%	0.936	83%	0.833	S	S	*	*				-157.6	112.1	125.1	-112.6	172.6	-176.4	-172.6	-0.6	110.9
185	S	26.2	Very low	27.7	Very low	123 Å²	123	140.9 Å²	140.9	86%	0.86	83%	0.834	S	S	*	*			trans	-64.9	140.6	176.8	-45.4	0	0	0	0	111
186	G	24.6	Very low	27.9	Very low	79 Å²	79	141.8 Å²	141.8	81%	0.814	83%	0.831	S	S	*	*			trans	-71.7	150.4	172.5	0	0	0	0	0	112.3
187	S	24.6	Very low	27.9	Very low	121 Å²	121	143 Å²	143	85%	0.846	84%	0.837	S	S	*	*			trans	-110.9	127.4	159.5	-173.5	0	0	0	0	108
188	T	29.9	Very low	28.4	Very low	136 Å²	136	143.5 Å²	143.5	83%	0.834	84%	0.841	S	S	*	*			trans	-93.1	121.9	-178.8	50.4	0	0	0	0	111
189	E	25.5	Very low	28.3	Very low	196 Å²	196	142.7 Å²	142.7	92%	0.916	84%	0.836	S	S	*	*			trans	-131.4	135.5	153	-77.7	-151.6	133.3	0	0	110.2
190	S	29.5	Very low	28.8	Very low	116 Å²	116	145.9 Å²	145.9	81%	0.811	85%	0.85	S	S	*	*			trans	-105	132.6	-177.8	53.2	0	0	0	0	111
191	R	28.2	Very low	28.8	Very low	248 Å²	248	142.2 Å²	142.2	94%	0.936	85%	0.851	S	S	*	*			trans	-136.1	138.8	159.3	-74.8	-163.9	165.7	171.6	-2	110.7
192	G	25.4	Very low	28.9	Very low	81 Å²	81	137.2 Å²	137.2	84%	0.835	84%	0.841	S	S	*	*			trans	-71.8	158.8	-174	0	0	0	0	0	113.5
193	G	29	Very low	29.5	Very low	78 Å²	78	135.7 Å²	135.7	80%	0.804	84%	0.842	S	S	*	*			trans	-87.2	-170.7	-176.2	0	0	0	0	0	114.9
194	K	27.7	Very low	29.6	Very low	204 Å²	204	133.1 Å²	133.1	89%	0.887	84%	0.843	S	S	*	*			trans	-162.6	151	161.4	-109.2	172.8	-176.4	-179.6	0	109
195	D	36.6	Very low	29.8	Very low	143 Å²	143	126.6 Å²	126.6	77%	0.765	84%	0.835	S	S	*	*			trans	-68.8	141.4	178.5	-45.4	-89.6	0	0	0	111.7
196	P	31.2	Very low	30.2	Very low	129 Å²	129	133.1 Å²	133.1	84%	0.838	84%	0.841	S	S	*	*			trans	-83.8	114.1	165.9	18.7	-5.8	0	0	0	110
197	L	26.7	Very low	30.4	Very low	157 Å²	157	139.9 Å²	139.9	82%	0.822	84%	0.842	S	S	*	*			trans	-65.7	153.1	169.3	-80.6	88.5	0	0	0	111.5
198	S	36.3	Very low	30.6	Very low	111 Å²	111	138 Å²	138	78%	0.776	83%	0.829	S	S	*	*			trans	-54.8	147.7	167.7	54.6	0	0	0	0	113.4
199	S	28.6	Very low	30.4	Very low	119 Å²	119	139 Å²	139	83%	0.832	83%	0.829	S	S	*	*			trans	-147.9	151.9	158.1	-77.8	0	0	0	0	111.3
200	P	41.3	Very low	30.9	Very low	131 Å²	131	138 Å²	138	85%	0.851	82%	0.818	S	S	*	*			trans	-114.6	162.8	-159	40.6	-31.3	0	0	0	115.5
201	G	27.7	Very low	31.2	Very low	84 Å²	84	138.5 Å²	138.5	87%	0.866	81%	0.812	S	S	*	*			trans	124.6	140.2	170.6	0	0	0	0	0	112.8
202	G	28.9	Very low	32.3	Very low	70 Å²	70	130.4 Å²	130.4	72%	0.722	79%	0.787	S	S	*	*			cis	-152.3	-177.6	-0.3	0	0	0	0	0	112.1
203	P	39.3	Very low	33.6	Very low	140 Å²	140	134.2 Å²	134.2	91%	0.909	78%	0.783	S	S	*	*			trans	-85.4	142	-169	33.2	-34.6	0	0	0	113.3
204	G	28.9	Very low	35.5	Very low	81 Å²	81	134 Å²	134	84%	0.835	78%	0.78	S	S	*	*			trans	151.7	39.3	161.4	0	0	0	0	0	121.7
205	S	29.3	Very low	38.3	Very low	112 Å²	112	126.6 Å²	126.6	78%	0.783	75%	0.75	S	S	*	*			trans	-167.5	122.3	148.1	-167.5	0	0	0	0	112.2	R207	S205-R207 PolarHBondContact O-N 3.01Å
206	R	34.7	Very low	40.8	Very low	259 Å²	259	120.9 Å²	120.9	98%	0.977	72%	0.721	S	S	*	*			trans	-83.8	87.4	173.5	-75.2	-175.7	177.7	170.8	-1	110.6
207	R	29.3	Very low	43.7	Very low	221 Å²	221	115.7 Å²	115.7	83%	0.834	69%	0.687	S	S	*	*			trans	-98.9	145	146.7	-77.2	-172.9	170.9	-176.2	-2.3	108.4	S205 N209	S205-R207 PolarHBondContact O-N 3.01Å; R207-N209 PolarHBondContact O-N 2.96Å
208	S	28.7	Very low	46.7	Very low	83 Å²	83	114 Å²	114	58%	0.58	67%	0.673	S	S	*	*			trans	-74.1	95.8	-171.3	-161.8	0	0	0	0	111.3	Y210	S208-Y210 VanDerWaalsContact C-N 3.29Å; S208-Y210 WeakPolarHBondContact O-CD2 3.12Å; S208-Y210 PolarHBondContact O-N 3.48Å
209	N	26.6	Very low	49.4	Very low	155 Å²	155	109.7 Å²	109.7	83%	0.829	64%	0.641	S	S	*	*			trans	-72.3	89.1	162.7	-83.5	4.7	0	0	0	108.3	R207 N211	R207-N209 PolarHBondContact O-N 2.96Å; N209-N211 PolarHBondContact O-N 2.89Å
210	Y	35.2	Very low	52.3	Low	176 Å²	176	109.9 Å²	109.9	69%	0.69	63%	0.627	S	S	*	*			trans	-63.6	126.6	162.8	-63	-79.9	0	0	0	108.6	S208 L212	S208-Y210 VanDerWaalsContact C-N 3.29Å; S208-Y210 WeakPolarHBondContact O-CD2 3.12Å; S208-Y210 PolarHBondContact O-N 3.48Å; Y210-L212 PolarHBondContact O-N 2.84Å
211	N	36.6	Very low	54.7	Low	126 Å²	126	103.8 Å²	103.8	67%	0.674	59%	0.587	S	S	*	*			trans	-61.6	120.1	170.6	-99.5	24	0	0	0	108.5	N209 E213	N209-N211 PolarHBondContact O-N 2.89Å; N211-E213 VanDerWaalsContact C-N 3.34Å; N211-E213 PolarHBondContact ND2-OE2 2.9Å
212	L	50.3	Low	57.4	Low	79 Å²	79	106.9 Å²	106.9	41%	0.414	57%	0.573	S	S	.	*			trans	-90.1	0.1	-177.4	-84.7	138.9	0	0	0	113.5	Y210 G214 I215 S216 Y229	Y210-L212 PolarHBondContact O-N 2.84Å; L212-G214 PolarHBondContact O-N 2.92Å; L212-I215 HydrophobicContact CD2-CD1 4Å; L212-I215 HydrophobicContact CD2-CG1 4.21Å; L212-I215 HydrophobicContact CG-CD1 4.35Å; L212-I215 WeakPolarHBondContact O-CG1 3.27Å; L212-I215 PolarHBondContact O-N 3.49Å; L212-S216 PolarHBondContact O-OG 3Å; L212-Y229 HydrophobicContact CD2-CE1 3.73Å
213	E	52.9	Low	60.1	Low	161 Å²	161	106.3 Å²	106.3	75%	0.752	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	126.1	174.3	-63.2	178.4	131.9	0	0	109.7	N211 I215	N211-E213 VanDerWaalsContact C-N 3.34Å; N211-E213 PolarHBondContact ND2-OE2 2.9Å; E213-I215 VanDerWaalsContact C-N 3.34Å; E213-I215 PolarHBondContact O-N 2.89Å
214	G	68.8	Low	62.5	Low	72 Å²	72	104.2 Å²	104.2	74%	0.742	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-10.6	179.9	0	0	0	0	0	116.8	L212	L212-G214 PolarHBondContact O-N 2.92Å
215	I	85.6	Confident	65.5	Low	49 Å²	49	103.8 Å²	103.8	25%	0.251	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-3.9	-179.1	62	162.6	0	0	0	114.9	L212 E213 I230 Y767	L212-I215 HydrophobicContact CD2-CD1 4Å; L212-I215 HydrophobicContact CD2-CG1 4.21Å; L212-I215 HydrophobicContact CG-CD1 4.35Å; L212-I215 WeakPolarHBondContact O-CG1 3.27Å; L212-I215 PolarHBondContact O-N 3.49Å; E213-I215 VanDerWaalsContact C-N 3.34Å; E213-I215 PolarHBondContact O-N 2.89Å; I215-I230 PolarHBondContact O-N 3.23Å; I215-Y767 HydrophobicContact CD1-CE2 4.05Å
216	S	90.3	Very high	68.5	Low	23 Å²	23	98.8 Å²	98.8	16%	0.161	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	149.4	-179.2	64.1	0	0	0	0	112.7	L212 M228	L212-S216 PolarHBondContact O-OG 3Å; S216-M228 CarbonylContact C-O 3.51Å; S216-M228 VanDerWaalsContact CA-O 3.24Å; S216-M228 WeakPolarHBondContact CA-O 3.49Å; S216-M228 WeakPolarHBondContact CB-O 3.43Å
217	V	91.2	Very high	71.3	Confident	20 Å²	20	87.9 Å²	87.9	12%	0.121	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	146.5	171.8	-179.9	0	0	0	0	109	M228 I230 L237 F783 Y786	V217-M228 PolarHBondContact N-O 3.5Å; V217-M228 PolarHBondContact O-N 3.02Å; V217-I230 HydrophobicContact CG2-CD1 3.99Å; V217-I230 HydrophobicContact CG2-CG1 3.99Å; V217-L237 HydrophobicContact CG2-CD1 3.85Å; V217-F783 HydrophobicContact CG2-CD2 4.45Å; V217-F783 HydrophobicContact CG2-CE2 4.05Å; V217-Y786 HydrophobicContact CG1-CE1 4.14Å; V217-Y786 HydrophobicContact CG1-CE2 4.04Å
218	K	91.4	Very high	74.4	Confident	121 Å²	121	77.6 Å²	77.6	53%	0.526	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.3	173.4	-68.3	178.7	-177.9	171.3	0	110.5	F220 I226 T227	K218-F220 HydrophobicContact CB-CE2 4.24Å; K218-I226 WeakPolarHBondContact CA-O 3.21Å; K218-T227 WeakPolarHBondContact CE-OG1 3.28Å; K218-T227 HydrophobicContact CG-CG2 4.25Å
219	M	91.7	Very high	77.5	Confident	21 Å²	21	76 Å²	76	10%	0.103	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	158.5	164	-173.3	170	77.1	0	0	108.9	L221 I226 M228 L781 Y786 W789	M219-L221 HydrophobicContact CE-CD1 3.89Å; M219-L221 HydrophobicContact CE-CD2 4.41Å; M219-L221 HydrophobicContact CE-CG 4.05Å; M219-I226 HydrophobicContact CE-CD1 4.07Å; M219-I226 PolarHBondContact N-O 2.91Å; M219-I226 PolarHBondContact O-N 3.06Å; M219-M228 HydrophobicContact CB-CE 3.68Å; M219-L781 HydrophobicContact CE-CD2 3.67Å; M219-Y786 HydrophobicContact SD-CD2 4.23Å; M219-W789 HydrophobicContact CE-CD2 4.43Å; M219-W789 HydrophobicContact CE-CG 3.93Å; M219-W789 HydrophobicContact SD-CB 3.8Å; M219-W789 VanDerWaalsContact SD-CD1 3.58Å; M219-W789 HydrophobicContact SD-CG 3.77Å
220	F	90.6	Very high	80.7	Confident	124 Å²	124	69.4 Å²	69.4	54%	0.544	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	121.1	177.1	-64.8	-100.1	0	0	0	109.5	K218 R224 P225	K218-F220 HydrophobicContact CB-CE2 4.24Å; F220-R224 WeakPolarHBondContact CA-O 3.35Å; F220-P225 HydrophobicContact CD1-CB 4.04Å; F220-P225 HydrophobicContact CE1-CB 3.74Å; F220-P225 HydrophobicContact CZ-CB 4.34Å
221	L	90.5	Very high	83.5	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127	171.2	-64.6	177.8	0	0	0	108.2	M219 G223 R224 I226 Y749 L781 W789	M219-L221 HydrophobicContact CE-CD1 3.89Å; M219-L221 HydrophobicContact CE-CD2 4.41Å; M219-L221 HydrophobicContact CE-CG 4.05Å; L221-G223 PolarHBondContact O-N 3.15Å; L221-R224 PolarHBondContact N-O 3.42Å; L221-R224 WeakPolarHBondContact O-CB 3.16Å; L221-R224 PolarHBondContact O-N 2.65Å; L221-I226 HydrophobicContact CB-CD1 4.1Å; L221-I226 HydrophobicContact CD1-CD1 3.59Å; L221-I226 HydrophobicContact CG-CD1 3.8Å; L221-Y749 HydrophobicContact CB-CD2 4.41Å; L221-Y749 HydrophobicContact CD1-CD1 4.2Å; L221-Y749 HydrophobicContact CD1-CG 4.39Å; L221-L781 HydrophobicContact CD1-CD2 3.76Å; L221-W789 HydrophobicContact CD1-CD2 4.44Å; L221-W789 HydrophobicContact CD1-CH2 4.33Å; L221-W789 HydrophobicContact CD1-CZ2 4.25Å; L221-W789 HydrophobicContact CD1-CZ3 4.49Å; L221-W789 HydrophobicContact CD2-CD2 4.22Å; L221-W789 HydrophobicContact CD2-CE3 3.99Å; L221-W789 HydrophobicContact CD2-CZ3 4.43Å
222	R	85.8	Confident	86.1	Confident	150 Å²	150	59.3 Å²	59.3	57%	0.566	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	31.7	-170.2	-67	174.3	175.9	151.1	1.2	113.7	R224 Y749 D794 T796	R222-R224 VanDerWaalsContact C-N 3.32Å; R222-R224 PolarHBondContact O-N 2.95Å; R222-Y749 PolarHBondContact NH1-OH 3.28Å; R222-D794 WeakPolarHBondContact CD-O 3.48Å; R222-D794 HydrophobicContact CG-CB 4.05Å; R222-D794 VanDerWaalsContact CG-O 3.27Å; R222-D794 WeakPolarHBondContact CG-O 3.4Å; R222-D794 VanDerWaalsContact CZ-O 3.24Å; R222-D794 IonicContact CZ-OD2 3.6Å; R222-D794 PolarHBondContact NE-O 2.9Å; R222-D794 IonicContact NE-OD2 3.19Å; R222-D794 IonicContact NH2-OD1 2.91Å; R222-D794 IonicContact NH2-OD2 2.7Å; R222-D794 PolarHBondContact NH2-OD2 3.11Å; R222-T796 PolarHBondContact NH2-OG1 3.19Å
223	G	84.8	Confident	87.9	Confident	58 Å²	58	58.7 Å²	58.7	60%	0.598	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-6.6	-176.5	0	0	0	0	0	116.5	L221 P225	L221-G223 PolarHBondContact O-N 3.15Å; G223-P225 WeakPolarHBondContact O-CD 3.47Å
224	R	89.1	Confident	89.5	Confident	96 Å²	96	53 Å²	53	36%	0.362	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	123	173.8	-173.2	175.9	-178.1	166.6	3.4	109.6	F220 L221 R222 I226 D748 E750	F220-R224 WeakPolarHBondContact CA-O 3.35Å; L221-R224 PolarHBondContact N-O 3.42Å; L221-R224 WeakPolarHBondContact O-CB 3.16Å; L221-R224 PolarHBondContact O-N 2.65Å; R222-R224 VanDerWaalsContact C-N 3.32Å; R222-R224 PolarHBondContact O-N 2.95Å; R224-I226 PolarHBondContact O-N 2.87Å; R224-D748 WeakPolarHBondContact CD-O 3.28Å; R224-D748 IonicContact CZ-OD2 3.69Å; R224-D748 PolarHBondContact NH1-O 2.91Å; R224-D748 IonicContact NH1-OD2 2.72Å; R224-D748 PolarHBondContact NH1-OD2 3.47Å; R224-D748 IonicContact NH2-OD2 3.78Å; R224-E750 IonicContact CZ-OE1 3.48Å; R224-E750 IonicContact NH2-OE1 2.93Å; R224-E750 PolarHBondContact NH2-OE1 3.01Å
225	P	91.7	Very high	90	Very high	72 Å²	72	60.3 Å²	60.3	47%	0.468	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	115.4	179.6	29.2	-33.2	0	0	0	112	F220 G223	F220-P225 HydrophobicContact CD1-CB 4.04Å; F220-P225 HydrophobicContact CE1-CB 3.74Å; F220-P225 HydrophobicContact CZ-CB 4.34Å; G223-P225 WeakPolarHBondContact O-CD 3.47Å
226	I	93.8	Very high	89.9	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.036	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	104	177	-57.3	168.6	0	0	0	107.8	K218 M219 L221 R224 M228 Y749 I751 L781	K218-I226 WeakPolarHBondContact CA-O 3.21Å; M219-I226 HydrophobicContact CE-CD1 4.07Å; M219-I226 PolarHBondContact N-O 2.91Å; M219-I226 PolarHBondContact O-N 3.06Å; L221-I226 HydrophobicContact CB-CD1 4.1Å; L221-I226 HydrophobicContact CD1-CD1 3.59Å; L221-I226 HydrophobicContact CG-CD1 3.8Å; R224-I226 PolarHBondContact O-N 2.87Å; I226-M228 HydrophobicContact CG2-CG 4.38Å; I226-Y749 HydrophobicContact CD1-CG 4.47Å; I226-I751 HydrophobicContact CG2-CD1 4Å; I226-I751 HydrophobicContact CG2-CG1 4.45Å; I226-L781 HydrophobicContact CD1-CD1 4.31Å; I226-L781 HydrophobicContact CD1-CD2 4.18Å
227	T	93.6	Very high	89.6	Confident	29 Å²	29	61.5 Å²	61.5	18%	0.178	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.4	-178.3	-53.4	0	0	0	0	111	K218 R766	K218-T227 WeakPolarHBondContact CE-OG1 3.28Å; K218-T227 HydrophobicContact CG-CG2 4.25Å; T227-R766 PolarHBondContact O-NH2 2.8Å
228	M	94.3	Very high	89.1	Confident	5 Å²	5	68 Å²	68	3%	0.025	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.6	179.6	-65.9	166.6	-71.3	0	0	109.5	S216 V217 M219 I226 I751 G782 F783 Y786	S216-M228 CarbonylContact C-O 3.51Å; S216-M228 VanDerWaalsContact CA-O 3.24Å; S216-M228 WeakPolarHBondContact CA-O 3.49Å; S216-M228 WeakPolarHBondContact CB-O 3.43Å; V217-M228 PolarHBondContact N-O 3.5Å; V217-M228 PolarHBondContact O-N 3.02Å; M219-M228 HydrophobicContact CB-CE 3.68Å; I226-M228 HydrophobicContact CG2-CG 4.38Å; M228-I751 HydrophobicContact CG-CD1 3.63Å; M228-I751 HydrophobicContact SD-CD1 4.15Å; M228-G782 VanDerWaalsContact SD-C 3.58Å; M228-F783 HydrophobicContact CB-CB 4.27Å; M228-Y786 HydrophobicContact CE-CD1 4.12Å; M228-Y786 HydrophobicContact CE-CD2 4.25Å; M228-Y786 HydrophobicContact CE-CG 3.72Å; M228-Y786 HydrophobicContact SD-CD1 4.47Å; M228-Y786 HydrophobicContact SD-CG 4.31Å
229	Y	93.9	Very high	88.6	Confident	49 Å²	49	68.4 Å²	68.4	19%	0.192	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	142.8	-177.1	-68.8	-74.7	0	0	0	111.5	L212 R766 Y767	L212-Y229 HydrophobicContact CD2-CE1 3.73Å; Y229-R766 HydrophobicContact CD2-CB 4.19Å; Y229-R766 HydrophobicContact CE2-CB 3.81Å; Y229-Y767 AromaticContact CD1-CD2 3.66Å; Y229-Y767 HydrophobicContact CD1-CD2 3.66Å; Y229-Y767 AromaticContact CE1-CD2 3.96Å; Y229-Y767 HydrophobicContact CE1-CD2 3.96Å; Y229-Y767 HydrophobicContact CG-CD2 4.2Å
230	I	93.3	Very high	88.4	Confident	17 Å²	17	68.1 Å²	68.1	9%	0.087	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-82.2	126.1	178.5	-55.4	176.1	0	0	0	108.4	I215 V217 I234 L237 R770 F783	I215-I230 PolarHBondContact O-N 3.23Å; V217-I230 HydrophobicContact CG2-CD1 3.99Å; V217-I230 HydrophobicContact CG2-CG1 3.99Å; I230-I234 HydrophobicContact CG2-CB 4.03Å; I230-I234 HydrophobicContact CG2-CG2 4.03Å; I230-L237 HydrophobicContact CD1-CD2 4.21Å; I230-R770 WeakPolarHBondContact O-CD 3.47Å; I230-R770 PolarHBondContact O-NH1 2.89Å; I230-F783 HydrophobicContact CB-CE2 4.33Å; I230-F783 HydrophobicContact CG1-CD2 4.36Å; I230-F783 HydrophobicContact CG1-CE2 3.83Å; I230-F783 HydrophobicContact CG1-CZ 4.47Å; I230-F783 HydrophobicContact CG2-CE2 4.33Å; I230-F783 HydrophobicContact CG2-CZ 4.15Å
231	P	93.9	Very high	88.1	Confident	14 Å²	14	64.4 Å²	64.4	9%	0.091	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-55.2	141.5	172.3	-22.6	30.4	0	0	0	112.1	G233 I234 R770 F783 H784	P231-G233 PolarHBondContact O-N 3.36Å; P231-G233 VanDerWaalsContact O-N 3.13Å; P231-I234 HydrophobicContact CB-CD1 4.26Å; P231-I234 HydrophobicContact CG-CD1 3.99Å; P231-I234 PolarHBondContact O-N 2.87Å; P231-R770 WeakPolarHBondContact CG-O 3.38Å; P231-F783 VanDerWaalsContact CD-CE1 3.41Å; P231-F783 HydrophobicContact CG-CD1 3.78Å; P231-F783 HydrophobicContact CG-CE1 3.98Å; P231-H784 WeakPolarHBondContact CG-NE2 3.24Å
232	S	91.3	Very high	87.7	Confident	77 Å²	77	67.9 Å²	67.9	54%	0.538	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.3	-177.3	60	0	0	0	0	114.9	I234 D771	S232-I234 VanDerWaalsContact C-N 3.33Å; S232-D771 WeakPolarHBondContact CB-OD1 3.15Å; S232-D771 PolarHBondContact N-OD1 2.89Å; S232-D771 PolarHBondContact OG-OD1 3.34Å
233	G	86.8	Confident	87.8	Confident	66 Å²	66	62.2 Å²	62.2	68%	0.68	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-18	177.5	0	0	0	0	0	114.6	P231	P231-G233 PolarHBondContact O-N 3.36Å; P231-G233 VanDerWaalsContact O-N 3.13Å
234	I	87.2	Confident	88.1	Confident	40 Å²	40	62.8 Å²	62.8	21%	0.205	35%	0.348	C	S	.	.			trans	-94.9	116.2	-177.4	-67.4	164.7	0	0	0	108.9	I230 P231 S232 L237 L240 F783	I230-I234 HydrophobicContact CG2-CB 4.03Å; I230-I234 HydrophobicContact CG2-CG2 4.03Å; P231-I234 HydrophobicContact CB-CD1 4.26Å; P231-I234 HydrophobicContact CG-CD1 3.99Å; P231-I234 PolarHBondContact O-N 2.87Å; S232-I234 VanDerWaalsContact C-N 3.33Å; I234-L237 HydrophobicContact CG2-CD2 4.43Å; I234-L240 HydrophobicContact CD1-CD2 3.9Å; I234-L240 HydrophobicContact CG1-CD2 4.24Å; I234-L240 HydrophobicContact CG2-CD1 4.27Å; I234-L240 HydrophobicContact CG2-CD2 4.34Å; I234-L240 HydrophobicContact CG2-CG 4.34Å; I234-F783 HydrophobicContact CD1-CE1 3.56Å; I234-F783 HydrophobicContact CD1-CZ 4.09Å
235	R	80.3	Confident	88.3	Confident	227 Å²	227	58.2 Å²	58.2	86%	0.857	33%	0.331	S	S	*	.			trans	-93.7	-35.8	-175.3	-62	-180	178.5	-171.2	-0.7	112.1	E239	R235-E239 PolarHBondContact N-OE2 3.22Å
236	S	82.7	Confident	88.2	Confident	39 Å²	39	57 Å²	57	27%	0.273	32%	0.323	S	S	.	.			trans	-135.8	144.9	170.7	179.6	0	0	0	0	111.4	E238 E239	S236-E238 PolarHBondContact O-N 2.85Å; S236-E238 WeakPolarHBondContact OG-CB 3.39Å; S236-E238 PolarHBondContact OG-N 2.97Å; S236-E238 VanDerWaalsContact OG-N 3.08Å; S236-E239 PolarHBondContact N-OE2 3.34Å; S236-E239 PolarHBondContact O-N 3Å
237	L	82.9	Confident	88.2	Confident	57 Å²	57	56.7 Å²	56.7	30%	0.298	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-11.5	170.5	-58.9	178.1	0	0	0	112.4	V217 I230 I234 L240 F783 R828	V217-L237 HydrophobicContact CG2-CD1 3.85Å; I230-L237 HydrophobicContact CD1-CD2 4.21Å; I234-L237 HydrophobicContact CG2-CD2 4.43Å; L237-L240 HydrophobicContact CB-CD1 4.29Å; L237-L240 HydrophobicContact CD2-CD1 3.6Å; L237-F783 HydrophobicContact CD2-CE2 3.96Å; L237-F783 HydrophobicContact CD2-CZ 3.81Å; L237-R828 PolarHBondContact O-NH1 3.22Å
238	E	81.5	Confident	88.4	Confident	157 Å²	157	57.7 Å²	57.7	73%	0.734	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-28.2	176	-59.9	179.5	146	0	0	112.5	S236 L240 R828	S236-E238 PolarHBondContact O-N 2.85Å; S236-E238 WeakPolarHBondContact OG-CB 3.39Å; S236-E238 PolarHBondContact OG-N 2.97Å; S236-E238 VanDerWaalsContact OG-N 3.08Å; E238-L240 PolarHBondContact O-N 2.91Å; E238-R828 PolarHBondContact O-NH1 3.27Å
239	E	82.1	Confident	88.5	Confident	130 Å²	130	57.9 Å²	57.9	61%	0.607	33%	0.329	S	S	*	.	S	Bend	trans	-67.9	-19	174.4	-63.5	166.6	153	0	0	112.1	R235 S236	R235-E239 PolarHBondContact N-OE2 3.22Å; S236-E239 PolarHBondContact N-OE2 3.34Å; S236-E239 PolarHBondContact O-N 3Å
240	L	86.4	Confident	88.6	Confident	15 Å²	15	58.5 Å²	58.5	8%	0.079	34%	0.339	C	S	.	.	S	Bend	trans	-75.9	147.5	-178.3	-63.7	169.8	0	0	0	112.1	I234 L237 E238 S242 F783 P825 A827 R828	I234-L240 HydrophobicContact CD1-CD2 3.9Å; I234-L240 HydrophobicContact CG1-CD2 4.24Å; I234-L240 HydrophobicContact CG2-CD1 4.27Å; I234-L240 HydrophobicContact CG2-CD2 4.34Å; I234-L240 HydrophobicContact CG2-CG 4.34Å; L237-L240 HydrophobicContact CB-CD1 4.29Å; L237-L240 HydrophobicContact CD2-CD1 3.6Å; E238-L240 PolarHBondContact O-N 2.91Å; L240-S242 PolarHBondContact O-N 3.43Å; L240-F783 HydrophobicContact CD1-CZ 4.17Å; L240-P825 HydrophobicContact CD2-CG 4.03Å; L240-A827 HydrophobicContact CD1-CB 3.84Å; L240-R828 HydrophobicContact CB-CG 4.12Å; L240-R828 WeakPolarHBondContact O-CD 3.44Å; L240-R828 PolarHBondContact O-NH1 2.91Å
241	P	84.1	Confident	88.8	Confident	45 Å²	45	58.2 Å²	58.2	29%	0.292	34%	0.338	S	S	.	.			trans	-55.5	138.4	-177.2	-23.5	32.9	0	0	0	113.1	Q823 R828	P241-Q823 HydrophobicContact CB-CB 4.49Å; P241-Q823 VanDerWaalsContact CB-CD 3.46Å; P241-Q823 HydrophobicContact CB-CG 3.97Å; P241-Q823 HydrophobicContact CG-CG 4.47Å; P241-R828 VanDerWaalsContact O-CD 3.31Å; P241-R828 WeakPolarHBondContact O-CD 3.23Å
242	S	82.5	Confident	88.9	Confident	75 Å²	75	58.9 Å²	58.9	52%	0.524	34%	0.34	S	S	.	.			trans	-135.2	0.2	-175.5	48.5	0	0	0	0	114	L240 P832	L240-S242 PolarHBondContact O-N 3.43Å; S242-P832 WeakPolarHBondContact O-CG 3.39Å
243	G	87.8	Confident	89.2	Confident	32 Å²	32	55.5 Å²	55.5	33%	0.33	32%	0.316	S	S	.	.	S	Bend	trans	-85	166.6	170.8	0	0	0	0	0	112.1	P832	G243-P832 VanDerWaalsContact C-CG 3.43Å; G243-P832 WeakPolarHBondContact O-CG 3.03Å
244	P	90.8	Very high	89.7	Confident	70 Å²	70	52.3 Å²	52.3	46%	0.455	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-60.8	158.6	165.5	29.7	-35.6	0	0	0	110.1	P832	P244-P832 HydrophobicContact CB-CB 4.48Å
245	P	93.4	Very high	90.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-54	143.4	175.4	25.7	-37	0	0	0	111.1	E247 V809 L821 R834	P245-E247 VanDerWaalsContact C-N 3.28Å; P245-E247 PolarHBondContact O-N 3.37Å; P245-V809 HydrophobicContact CB-CG1 3.83Å; P245-L821 HydrophobicContact CB-CD2 4.23Å; P245-L821 HydrophobicContact CB-CG 4.23Å; P245-L821 HydrophobicContact CG-CB 4.3Å; P245-L821 HydrophobicContact CG-CD2 4.18Å; P245-L821 HydrophobicContact CG-CG 4.09Å; P245-L821 WeakPolarHBondContact CG-O 3.28Å; P245-R834 HydrophobicContact CG-CB 4.4Å; P245-R834 HydrophobicContact CG-CG 3.99Å; P245-R834 PolarHBondContact O-NH1 3.13Å; P245-R834 PolarHBondContact O-NH2 3.46Å
246	P	89.4	Confident	91	Very high	45 Å²	45	39.8 Å²	39.8	29%	0.292	23%	0.233	S	C	.	.	S	Bend	trans	-62.5	-39.4	172	-15	25.7	0	0	0	111.4	R834 A873	P246-R834 VanDerWaalsContact C-NH1 3.29Å; P246-R834 PolarHBondContact O-NH1 3.11Å; P246-A873 HydrophobicContact CB-CB 4.43Å
247	E	94.9	Very high	91.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	22%	0.22	C	C	.	.			trans	-73.2	142.1	-177.7	-68.3	86	136.9	0	0	113.9	P245 R808 V809 L821 R834 V870 L871	P245-E247 VanDerWaalsContact C-N 3.28Å; P245-E247 PolarHBondContact O-N 3.37Å; E247-R808 WeakPolarHBondContact OE1-CB 3.43Å; E247-R808 IonicContact OE1-CZ 3.52Å; E247-R808 IonicContact OE1-NE 3.67Å; E247-R808 PolarHBondContact OE1-NE 2.91Å; E247-R808 IonicContact OE1-NH2 2.66Å; E247-R808 PolarHBondContact OE1-NH2 2.94Å; E247-R808 VanDerWaalsContact OE1-NH2 3.1Å; E247-R808 IonicContact OE2-CZ 3.87Å; E247-R808 IonicContact OE2-NE 3.28Å; E247-R808 IonicContact OE2-NH2 2.85Å; E247-R808 PolarHBondContact OE2-NH2 3.2Å; E247-V809 HydrophobicContact CB-CG1 4.3Å; E247-V809 HydrophobicContact CG-CG1 4.39Å; E247-L821 HydrophobicContact CB-CD2 4.1Å; E247-L821 WeakPolarHBondContact O-CD2 3.44Å; E247-R834 PolarHBondContact O-NH1 3.19Å; E247-V870 HydrophobicContact CB-CG1 4.19Å; E247-V870 HydrophobicContact CG-CG1 4.09Å; E247-L871 CarbonylContact C-O 3.51Å; E247-L871 WeakPolarHBondContact CA-O 3.48Å
248	T	96.8	Very high	92.4	Very high	50 Å²	50	37.1 Å²	37.1	31%	0.307	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	159.8	166.9	53.6	0	0	0	0	111.3	Y836 L871	T248-Y836 WeakPolarHBondContact CA-OH 3.44Å; T248-L871 PolarHBondContact N-O 2.87Å; T248-L871 PolarHBondContact O-N 3.28Å
249	L	97	Very high	93.1	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.052	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.8	165.1	-58.1	-175.8	0	0	0	109.6	V819 L821 Y836 L855 W868 R869 V870	L249-V819 HydrophobicContact CD1-CG1 3.94Å; L249-L821 HydrophobicContact CD2-CD2 4.35Å; L249-L821 HydrophobicContact CG-CD2 4.28Å; L249-Y836 HydrophobicContact CB-CD1 4.06Å; L249-Y836 HydrophobicContact CB-CD2 4.16Å; L249-Y836 HydrophobicContact CB-CE1 3.75Å; L249-Y836 HydrophobicContact CB-CE2 3.86Å; L249-Y836 HydrophobicContact CB-CG 4.25Å; L249-Y836 HydrophobicContact CD1-CD2 3.74Å; L249-Y836 HydrophobicContact CD1-CE2 3.73Å; L249-Y836 HydrophobicContact CD1-CG 4.39Å; L249-Y836 HydrophobicContact CG-CD2 4.16Å; L249-Y836 HydrophobicContact CG-CE1 4.49Å; L249-Y836 HydrophobicContact CG-CE2 3.71Å; L249-Y836 PolarHBondContact N-OH 2.68Å; L249-Y836 VanDerWaalsContact O-CE1 3.26Å; L249-Y836 WeakPolarHBondContact O-CE1 3.32Å; L249-L855 HydrophobicContact CD1-CD2 3.67Å; L249-L855 HydrophobicContact CD2-CB 4.34Å; L249-W868 HydrophobicContact CB-CB 4.11Å; L249-W868 HydrophobicContact CB-CE3 4.36Å; L249-W868 HydrophobicContact CD1-CB 4.28Å; L249-W868 HydrophobicContact CD1-CG 4.3Å; L249-W868 HydrophobicContact CD2-CB 4.35Å; L249-W868 HydrophobicContact CG-CB 4.48Å; L249-R869 WeakPolarHBondContact CA-O 3.36Å; L249-V870 HydrophobicContact CD2-CG2 3.84Å
250	C	96.2	Very high	93.8	Very high	61 Å²	61	29.2 Å²	29.2	41%	0.412	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.1	162.8	-160.1	0	0	0	0	108.8	D252 W868 R869 L871	C250-D252 PolarHBondContact O-N 3.06Å; C250-W868 CarbonylContact O-C 3.55Å; C250-W868 WeakPolarHBondContact O-CA 3.47Å; C250-W868 WeakPolarHBondContact O-CB 3.36Å; C250-R869 HydrophobicContact CB-CB 4.48Å; C250-R869 PolarHBondContact N-O 2.96Å; C250-R869 PolarHBondContact O-N 2.66Å; C250-L871 HydrophobicContact CB-CD1 3.98Å
251	L	96.6	Very high	94.1	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.063	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.6	172.9	-177.7	56.6	0	0	0	108.1	V254 H301 R303 F866 W868	L251-V254 HydrophobicContact CD1-CG2 4.05Å; L251-V254 HydrophobicContact CD2-CG2 3.83Å; L251-V254 HydrophobicContact CG-CG2 4.21Å; L251-H301 HydrophobicContact CD2-CB 4.06Å; L251-R303 HydrophobicContact CD2-CG 4.46Å; L251-F866 HydrophobicContact CD1-CB 4.07Å; L251-F866 HydrophobicContact CD1-CD2 3.43Å; L251-F866 VanDerWaalsContact CD1-CD2 3.43Å; L251-F866 HydrophobicContact CD1-CE2 4.15Å; L251-F866 HydrophobicContact CD1-CG 4.02Å; L251-F866 HydrophobicContact CD2-CD2 3.9Å; L251-F866 HydrophobicContact CD2-CE2 3.73Å; L251-F866 HydrophobicContact CG-CD2 4.34Å; L251-W868 HydrophobicContact CB-CE3 3.93Å; L251-W868 HydrophobicContact CB-CZ3 3.92Å; L251-W868 HydrophobicContact CD1-CD2 4.11Å; L251-W868 HydrophobicContact CD1-CE3 3.95Å; L251-W868 HydrophobicContact CD1-CH2 4.41Å; L251-W868 HydrophobicContact CD1-CZ3 4.09Å; L251-W868 HydrophobicContact CG-CZ3 4.45Å
252	D	95.3	Very high	94.5	Very high	27 Å²	27	29.6 Å²	29.6	14%	0.144	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-49.2	-172.3	-148.2	65.3	0	0	0	111	C250 H630 H854 Q867 R869	C250-D252 PolarHBondContact O-N 3.06Å; D252-H630 IonicContact OD2-CE1 3.44Å; D252-H854 IonicContact OD2-NE2 2.7Å; D252-Q867 WeakPolarHBondContact CA-O 3.42Å; D252-Q867 WeakPolarHBondContact CB-O 3.34Å; D252-Q867 PolarHBondContact N-O 2.86Å; D252-R869 HydrophobicContact CB-CB 4.16Å; D252-R869 IonicContact OD1-CZ 3.46Å; D252-R869 IonicContact OD1-NE 2.74Å; D252-R869 PolarHBondContact OD1-NE 3.3Å; D252-R869 IonicContact OD1-NH2 3.74Å; D252-R869 PolarHBondContact OD1-NH2 2.84Å; D252-R869 IonicContact OD2-CZ 3.23Å; D252-R869 IonicContact OD2-NE 3.21Å; D252-R869 IonicContact OD2-NH2 3.41Å; D252-R869 PolarHBondContact OD2-NH2 3.03Å
253	W	97.6	Very high	95	Very high	6 Å²	6	29.2 Å²	29.2	2%	0.023	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.1	178	-155.9	-96.7	0	0	0	112.4	Y255 Y285 P291 Q299 I594 H630 Q867	W253-Y255 HydrophobicContact CB-CE2 4.31Å; W253-Y255 AromaticContact CD1-CD2 3.68Å; W253-Y255 AromaticContact CD1-CE2 3.63Å; W253-Y255 AromaticContact CD1-CG 3.91Å; W253-Y255 AromaticContact CD1-CZ 3.88Å; W253-Y255 HydrophobicContact CG-CE2 4.3Å; W253-Y285 HydrophobicContact CH2-CD2 4.09Å; W253-Y285 AromaticContact CH2-CE2 3.87Å; W253-Y285 HydrophobicContact CH2-CE2 3.87Å; W253-Y285 HydrophobicContact CZ2-CD2 4.45Å; W253-Y285 HydrophobicContact CZ2-CE2 4.27Å; W253-P291 HydrophobicContact CH2-CB 4.43Å; W253-Q299 HydrophobicContact CD2-CG 3.89Å; W253-Q299 HydrophobicContact CE3-CB 4.18Å; W253-Q299 HydrophobicContact CE3-CG 3.74Å; W253-Q299 HydrophobicContact CH2-CG 4.01Å; W253-Q299 HydrophobicContact CZ2-CG 4.12Å; W253-Q299 HydrophobicContact CZ3-CB 4.39Å; W253-Q299 HydrophobicContact CZ3-CG 3.82Å; W253-I594 HydrophobicContact CZ2-CD1 3.91Å; W253-H630 HydrophobicContact CD2-CB 3.62Å; W253-H630 AromaticContact CD2-CD2 3.73Å; W253-H630 AromaticContact CD2-CG 3.55Å; W253-H630 AromaticContact CD2-ND1 3.99Å; W253-H630 VanDerWaalsContact CE2-CB 3.49Å; W253-H630 AromaticContact CE2-CG 3.98Å; W253-H630 HydrophobicContact CE3-CB 4.09Å; W253-H630 AromaticContact CE3-CD2 3.31Å; W253-H630 AromaticContact CE3-CG 3.67Å; W253-H630 AromaticContact CE3-NE2 3.7Å; W253-H630 HydrophobicContact CG-CB 3.92Å; W253-H630 AromaticContact CG-CG 3.8Å; W253-H630 AromaticContact CG-ND1 3.79Å; W253-H630 HydrophobicContact CH2-CB 4.3Å; W253-H630 HydrophobicContact CZ2-CB 3.88Å; W253-H630 HydrophobicContact CZ3-CB 4.39Å; W253-H630 AromaticContact CZ3-CD2 3.57Å; W253-Q867 HydrophobicContact CB-CB 4.19Å; W253-Q867 PolarHBondContact N-O 2.95Å; W253-Q867 VanDerWaalsContact N-O 3.11Å; W253-Q867 PolarHBondContact O-N 3.46Å
254	V	98.3	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119	170.4	177.8	0	0	0	0	108.3	L251 I278 V283 Q299 F866	L251-V254 HydrophobicContact CD1-CG2 4.05Å; L251-V254 HydrophobicContact CD2-CG2 3.83Å; L251-V254 HydrophobicContact CG-CG2 4.21Å; V254-I278 HydrophobicContact CG1-CG2 3.39Å; V254-V283 HydrophobicContact CB-CG2 4.17Å; V254-V283 HydrophobicContact CG1-CG2 4.33Å; V254-Q299 PolarHBondContact O-NE2 2.9Å; V254-F866 HydrophobicContact CB-CD1 4.48Å; V254-F866 HydrophobicContact CB-CE1 4.36Å; V254-F866 HydrophobicContact CG1-CD1 3.95Å; V254-F866 HydrophobicContact CG1-CE1 3.58Å; V254-F866 HydrophobicContact CG1-CZ 4.17Å; V254-F866 HydrophobicContact CG2-CD1 4.02Å; V254-F866 HydrophobicContact CG2-CD2 4.1Å; V254-F866 HydrophobicContact CG2-CE1 3.88Å; V254-F866 HydrophobicContact CG2-CE2 3.95Å; V254-F866 HydrophobicContact CG2-CG 4.13Å; V254-F866 HydrophobicContact CG2-CZ 3.84Å
255	Y	98.2	Very high	95.3	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	147.4	174.9	-58.7	-105.5	0	0	0	110.3	W253 F613 W625 D626 H630 I865 Q867	W253-Y255 HydrophobicContact CB-CE2 4.31Å; W253-Y255 AromaticContact CD1-CD2 3.68Å; W253-Y255 AromaticContact CD1-CE2 3.63Å; W253-Y255 AromaticContact CD1-CG 3.91Å; W253-Y255 AromaticContact CD1-CZ 3.88Å; W253-Y255 HydrophobicContact CG-CE2 4.3Å; Y255-F613 HydrophobicContact CD2-CZ 4.35Å; Y255-F613 HydrophobicContact CE1-CZ 4.26Å; Y255-F613 HydrophobicContact CE2-CE1 4.22Å; Y255-F613 AromaticContact CE2-CZ 3.69Å; Y255-F613 HydrophobicContact CE2-CZ 3.69Å; Y255-F613 AromaticContact CZ-CE1 3.99Å; Y255-F613 AromaticContact CZ-CZ 3.62Å; Y255-F613 WeakPolarHBondContact OH-CE1 3.25Å; Y255-W625 HydrophobicContact CD1-CD2 4.21Å; Y255-W625 AromaticContact CD1-CE3 3.51Å; Y255-W625 HydrophobicContact CD1-CE3 3.51Å; Y255-W625 HydrophobicContact CD1-CH2 4.5Å; Y255-W625 AromaticContact CD1-CZ3 3.68Å; Y255-W625 HydrophobicContact CD1-CZ3 3.68Å; Y255-W625 HydrophobicContact CE1-CD2 4.26Å; Y255-W625 AromaticContact CE1-CE3 3.65Å; Y255-W625 HydrophobicContact CE1-CE3 3.65Å; Y255-W625 HydrophobicContact CE1-CZ3 4.26Å; Y255-D626 PolarHBondContact OH-O 2.83Å; Y255-H630 HydrophobicContact CE1-CB 4.44Å; Y255-H630 WeakPolarHBondContact CE1-O 3.3Å; Y255-H630 WeakPolarHBondContact OH-CA 3.38Å; Y255-I865 HydrophobicContact CD2-CB 4.09Å; Y255-I865 HydrophobicContact CD2-CG2 4.28Å; Y255-I865 HydrophobicContact CG-CB 4.36Å; Y255-I865 PolarHBondContact N-O 3.41Å; Y255-Q867 HydrophobicContact CE2-CB 4.14Å; Y255-Q867 PolarHBondContact OH-OE1 3.25Å; Y255-Q867 VanDerWaalsContact OH-OE1 3.05Å
256	G	96.6	Very high	95.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.			trans	90.2	152.9	-177.6	0	0	0	0	0	114.9	Y276 Q595	G256-Y276 WeakPolarHBondContact O-CE2 3.45Å; G256-Q595 WeakPolarHBondContact CA-O 3.36Å; G256-Q595 PolarHBondContact N-O 3.39Å
257	Y	97.9	Very high	95.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.			trans	-126.4	138.2	173.7	151.8	-100.2	0	0	0	108.8	G259 N265 Y276 A563 N579 A580	Y257-G259 VanDerWaalsContact C-N 3.3Å; Y257-G259 PolarHBondContact O-N 3.33Å; Y257-N265 WeakPolarHBondContact CE2-ND2 3.36Å; Y257-N265 PolarHBondContact OH-OD1 2.7Å; Y257-Y276 AromaticContact CD2-CD2 3.85Å; Y257-Y276 HydrophobicContact CD2-CD2 3.85Å; Y257-Y276 AromaticContact CD2-CG 3.97Å; Y257-Y276 HydrophobicContact CD2-CG 3.97Å; Y257-A563 WeakPolarHBondContact OH-CB 3.34Å; Y257-N579 PolarHBondContact N-O 2.88Å; Y257-N579 CarbonylContact O-C 3.56Å; Y257-N579 WeakPolarHBondContact O-CA 3.39Å; Y257-N579 WeakPolarHBondContact O-CB 3.35Å; Y257-N579 PolarHBondContact O-OD1 2.98Å; Y257-N579 VanDerWaalsContact O-OD1 3.1Å; Y257-A580 VanDerWaalsContact CD1-O 3.29Å; Y257-A580 WeakPolarHBondContact CD1-O 3.34Å
258	R	97.6	Very high	95.9	Very high	41 Å²	41	30.1 Å²	30.1	16%	0.155	15%	0.153	C	C	.	.			trans	-79.7	71.6	-176.9	-166.2	177.5	179.7	146.7	11.6	113	D261 S262 N265 F277 I278 C308 V309	R258-D261 VanDerWaalsContact CG-OD1 3.32Å; R258-D261 WeakPolarHBondContact CG-OD1 3.42Å; R258-D261 IonicContact CZ-OD1 2.64Å; R258-D261 IonicContact CZ-OD2 3.51Å; R258-D261 IonicContact NE-OD1 3.92Å; R258-D261 PolarHBondContact NE-OD1 2.77Å; R258-D261 IonicContact NE-OD2 3.12Å; R258-D261 PolarHBondContact NE-OD2 3.46Å; R258-D261 IonicContact NH2-OD1 3.53Å; R258-D261 IonicContact NH2-OD2 2.72Å; R258-D261 PolarHBondContact NH2-OD2 3.18Å; R258-S262 WeakPolarHBondContact O-CB 3.42Å; R258-N265 PolarHBondContact O-ND2 2.82Å; R258-F277 HydrophobicContact CB-CD2 4.44Å; R258-F277 WeakPolarHBondContact CB-O 3.25Å; R258-F277 PolarHBondContact N-O 2.92Å; R258-I278 HydrophobicContact CB-CB 4.38Å; R258-I278 HydrophobicContact CB-CG1 4.37Å; R258-C308 PolarHBondContact NH1-SG 3.17Å; R258-C308 VanDerWaalsContact NH1-SG 3.39Å; R258-V309 PolarHBondContact NH1-O 2.88Å
259	G	96.6	Very high	95.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.			trans	-95.7	-21.6	-178.4	0	0	0	0	0	115.8	Y257 R562 T576 N579	Y257-G259 VanDerWaalsContact C-N 3.3Å; Y257-G259 PolarHBondContact O-N 3.33Å; G259-R562 WeakPolarHBondContact O-CG 3.36Å; G259-R562 PolarHBondContact O-NE 2.99Å; G259-T576 VanDerWaalsContact CA-O 3.29Å; G259-T576 WeakPolarHBondContact CA-O 3.38Å; G259-N579 PolarHBondContact N-OD1 2.76Å
260	R	95.3	Very high	95.6	Very high	120 Å²	120	36.1 Å²	36.1	45%	0.453	17%	0.17	S	C	.	.	S	Bend	trans	-59.8	-55.4	-179	179	169.7	167	144.3	-13.2	112.7	R562 N579 T598 D599	R260-R562 PolarHBondContact O-NH2 2.75Å; R260-N579 WeakPolarHBondContact CB-OD1 3.13Å; R260-N579 PolarHBondContact N-OD1 3.39Å; R260-T598 WeakPolarHBondContact CD-O 3.37Å; R260-T598 VanDerWaalsContact CZ-O 3.23Å; R260-T598 PolarHBondContact NE-O 3.03Å; R260-T598 PolarHBondContact NH1-O 3.2Å; R260-D599 IonicContact CZ-OD2 3.53Å; R260-D599 IonicContact NH1-OD2 2.7Å; R260-D599 PolarHBondContact NH1-OD2 3.37Å; R260-D599 IonicContact NH2-OD2 3.52Å; R260-D599 PolarHBondContact NH2-OD2 3.08Å
261	D	93.3	Very high	95.4	Very high	63 Å²	63	35.5 Å²	35.5	34%	0.337	17%	0.166	S	C	.	.	S	Bend	trans	-111.8	-23.8	-171.9	77	-47.2	0	0	0	115.7	R258 R263 R310	R258-D261 VanDerWaalsContact CG-OD1 3.32Å; R258-D261 WeakPolarHBondContact CG-OD1 3.42Å; R258-D261 IonicContact CZ-OD1 2.64Å; R258-D261 IonicContact CZ-OD2 3.51Å; R258-D261 IonicContact NE-OD1 3.92Å; R258-D261 PolarHBondContact NE-OD1 2.77Å; R258-D261 IonicContact NE-OD2 3.12Å; R258-D261 PolarHBondContact NE-OD2 3.46Å; R258-D261 IonicContact NH2-OD1 3.53Å; R258-D261 IonicContact NH2-OD2 2.72Å; R258-D261 PolarHBondContact NH2-OD2 3.18Å; D261-R263 PolarHBondContact O-NH2 2.76Å; D261-R310 IonicContact OD2-NH1 3.79Å; D261-R310 PolarHBondContact OD2-NH1 3.48Å
262	S	93.4	Very high	95.1	Very high	6 Å²	6	35.9 Å²	35.9	4%	0.042	17%	0.174	C	C	.	.			trans	-91.6	172.9	176.7	-163.8	0	0	0	0	112.7	R258 F277 R310 R562	R258-S262 WeakPolarHBondContact O-CB 3.42Å; S262-F277 WeakPolarHBondContact OG-CZ 3.37Å; S262-R310 PolarHBondContact OG-O 3.4Å; S262-R562 WeakPolarHBondContact O-CD 3.37Å; S262-R562 WeakPolarHBondContact O-CG 3.49Å; S262-R562 PolarHBondContact O-NE 3.42Å
263	R	92.6	Very high	95	Very high	67 Å²	67	34.7 Å²	34.7	25%	0.253	17%	0.167	S	C	.	.			trans	-157.6	166	179.7	73.4	-157	73	88	11.6	110.1	D261 N265	D261-R263 PolarHBondContact O-NH2 2.76Å; R263-N265 WeakPolarHBondContact CA-OD1 3.34Å; R263-N265 PolarHBondContact N-OD1 3.34Å; R263-N265 PolarHBondContact O-N 2.97Å
264	S	88.3	Confident	94.8	Very high	66 Å²	66	34.5 Å²	34.5	46%	0.462	17%	0.167	S	C	.	.	S	Bend	trans	51.4	40.7	-179.4	-54	0	0	0	0	112.6	F267	S264-F267 VanDerWaalsContact O-CE2 3.3Å; S264-F267 WeakPolarHBondContact O-CE2 3.26Å; S264-F267 WeakPolarHBondContact O-CZ 3.31Å
265	N	96.6	Very high	94.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.			trans	-129	29.7	-166.7	60.7	-46.6	0	0	0	112.5	Y257 R258 R263 Y276 F277	Y257-N265 WeakPolarHBondContact CE2-ND2 3.36Å; Y257-N265 PolarHBondContact OH-OD1 2.7Å; R258-N265 PolarHBondContact O-ND2 2.82Å; R263-N265 WeakPolarHBondContact CA-OD1 3.34Å; R263-N265 PolarHBondContact N-OD1 3.34Å; R263-N265 PolarHBondContact O-N 2.97Å; N265-Y276 VanDerWaalsContact O-CA 3.32Å; N265-Y276 WeakPolarHBondContact O-CA 3.49Å; N265-Y276 WeakPolarHBondContact O-CB 3.14Å; N265-F277 HydrophobicContact CB-CD1 4.06Å; N265-F277 HydrophobicContact CB-CE1 3.29Å; N265-F277 HydrophobicContact CB-CE2 4.47Å; N265-F277 HydrophobicContact CB-CZ 3.53Å
266	L	97.6	Very high	94.8	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	121	179.3	177	62.9	0	0	0	108.4	V274 V275 A563 A565 L573 L581	L266-V274 HydrophobicContact CD1-CG1 3.46Å; L266-V274 VanDerWaalsContact CD1-CG1 3.46Å; L266-V275 WeakPolarHBondContact CA-O 3.48Å; L266-A563 HydrophobicContact CB-CB 3.89Å; L266-A563 HydrophobicContact CD2-CB 4.32Å; L266-A565 HydrophobicContact CD2-CB 4.5Å; L266-A565 HydrophobicContact CG-CB 4.13Å; L266-L573 HydrophobicContact CD2-CB 4.22Å; L266-L581 HydrophobicContact CD1-CD1 3.6Å; L266-L581 HydrophobicContact CD1-CD2 4.26Å; L266-L581 HydrophobicContact CD2-CD1 3.55Å; L266-L581 HydrophobicContact CG-CD1 4.23Å
267	F	96.9	Very high	94.9	Very high	58 Å²	58	34.3 Å²	34.3	25%	0.254	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	167.1	-178.6	-58.1	-87.7	0	0	0	110.9	S264 V274 V275 L312 V314	S264-F267 VanDerWaalsContact O-CE2 3.3Å; S264-F267 WeakPolarHBondContact O-CE2 3.26Å; S264-F267 WeakPolarHBondContact O-CZ 3.31Å; F267-V274 CarbonylContact O-C 3.51Å; F267-V274 WeakPolarHBondContact O-CA 3.49Å; F267-V275 PolarHBondContact N-O 2.85Å; F267-V275 PolarHBondContact O-N 3.06Å; F267-L312 HydrophobicContact CD2-CD2 3.68Å; F267-L312 HydrophobicContact CD2-CG 4.04Å; F267-L312 HydrophobicContact CE2-CB 4.15Å; F267-L312 HydrophobicContact CE2-CD2 3.94Å; F267-L312 HydrophobicContact CE2-CG 3.94Å; F267-L312 WeakPolarHBondContact CE2-O 3.32Å; F267-L312 WeakPolarHBondContact CZ-O 3.34Å; F267-V314 HydrophobicContact CB-CG2 3.58Å; F267-V314 HydrophobicContact CD1-CG2 4.28Å; F267-V314 HydrophobicContact CD2-CG2 4.24Å; F267-V314 HydrophobicContact CG-CG2 3.79Å
268	V	95.3	Very high	94.9	Very high	37 Å²	37	34.4 Å²	34.4	22%	0.224	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.9	169.9	-174.8	0	0	0	0	108.6	A565 L573	V268-A565 HydrophobicContact CG2-CB 4.36Å; V268-L573 HydrophobicContact CG2-CD1 3.48Å; V268-L573 VanDerWaalsContact CG2-CD1 3.48Å
269	L	95.3	Very high	95	Very high	9 Å²	9	32.5 Å²	32.5	5%	0.047	16%	0.159	C	C	.	.			trans	-81.1	167.4	177.4	-69.5	173.3	0	0	0	112.2	S271 G272 E273 V275 L284 V314 G318 V321 S345	L269-S271 WeakPolarHBondContact CB-OG 3.47Å; L269-S271 PolarHBondContact O-N 2.83Å; L269-S271 VanDerWaalsContact O-N 3.15Å; L269-G272 PolarHBondContact O-N 2.91Å; L269-E273 HydrophobicContact CD1-CB 4.36Å; L269-E273 PolarHBondContact N-O 3.15Å; L269-V275 HydrophobicContact CD1-CG2 3.39Å; L269-V275 HydrophobicContact CD2-CG2 4.26Å; L269-V275 HydrophobicContact CG-CG2 3.51Å; L269-L284 HydrophobicContact CD1-CD2 3.86Å; L269-V314 HydrophobicContact CD2-CG1 3.85Å; L269-V314 HydrophobicContact CD2-CG2 4.06Å; L269-G318 WeakPolarHBondContact CD2-O 3.36Å; L269-V321 HydrophobicContact CD2-CG2 3.97Å; L269-S345 VanDerWaalsContact CD1-CB 3.5Å
270	R	93.2	Very high	95	Very high	178 Å²	178	32.7 Å²	32.7	67%	0.672	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-30.2	168.1	-172.7	-168.3	-69.9	-147.1	-1.6	112.3	G272 D317 G318 V319	R270-G272 PolarHBondContact O-N 2.87Å; R270-D317 PolarHBondContact NE-O 2.86Å; R270-D317 PolarHBondContact NH2-O 2.89Å; R270-G318 WeakPolarHBondContact CB-O 3.41Å; R270-G318 PolarHBondContact N-O 2.94Å; R270-V319 HydrophobicContact CB-CG2 4.14Å
271	S	90.8	Very high	95.2	Very high	47 Å²	47	27 Å²	27	33%	0.329	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-4.8	177.4	64.8	0	0	0	0	114.8	L269 E273	L269-S271 WeakPolarHBondContact CB-OG 3.47Å; L269-S271 PolarHBondContact O-N 2.83Å; L269-S271 VanDerWaalsContact O-N 3.15Å; S271-E273 WeakPolarHBondContact CB-OE2 3.44Å; S271-E273 PolarHBondContact O-N 2.98Å; S271-E273 WeakPolarHBondContact OG-CB 3.42Å; S271-E273 PolarHBondContact OG-N 3.11Å; S271-E273 PolarHBondContact OG-OE2 2.88Å
272	G	90.2	Very high	95.4	Very high	21 Å²	21	24 Å²	24	22%	0.216	12%	0.123	C	C	.	.	S	Bend	trans	74.2	4.4	-170.4	0	0	0	0	0	114.2	L269 R270	L269-G272 PolarHBondContact O-N 2.91Å; R270-G272 PolarHBondContact O-N 2.87Å
273	E	92.9	Very high	95.7	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	12%	0.121	C	C	.	.			trans	-77.9	135.8	172.6	-71.9	160.1	142.5	0	0	110.8	L269 S271 L284 Y285 R286 R300	L269-E273 HydrophobicContact CD1-CB 4.36Å; L269-E273 PolarHBondContact N-O 3.15Å; S271-E273 WeakPolarHBondContact CB-OE2 3.44Å; S271-E273 PolarHBondContact O-N 2.98Å; S271-E273 WeakPolarHBondContact OG-CB 3.42Å; S271-E273 PolarHBondContact OG-N 3.11Å; S271-E273 PolarHBondContact OG-OE2 2.88Å; E273-L284 HydrophobicContact CB-CB 4.49Å; E273-Y285 CarbonylContact C-O 3.56Å; E273-Y285 WeakPolarHBondContact CA-O 3.42Å; E273-R286 HydrophobicContact CG-CB 4.11Å; E273-R286 IonicContact OE1-CZ 3.73Å; E273-R286 IonicContact OE1-NH1 3.11Å; E273-R286 PolarHBondContact OE1-NH1 3.19Å; E273-R286 IonicContact OE1-NH2 2.93Å; E273-R286 PolarHBondContact OE1-NH2 2.98Å; E273-R286 IonicContact OE2-NH2 3.45Å; E273-R300 VanDerWaalsContact CD-NH2 3.32Å; E273-R300 IonicContact OE1-CZ 2.72Å; E273-R300 IonicContact OE1-NE 3.15Å; E273-R300 PolarHBondContact OE1-NE 2.84Å; E273-R300 IonicContact OE1-NH2 3.26Å; E273-R300 PolarHBondContact OE1-NH2 2.89Å; E273-R300 IonicContact OE2-CZ 3.8Å; E273-R300 IonicContact OE2-NE 2.65Å; E273-R300 IonicContact OE2-NH2 3.36Å; E273-R300 PolarHBondContact OE2-NH2 3.17Å
274	V	95.3	Very high	95.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.3	173.8	-172.7	0	0	0	0	108.6	L266 F267 Y285 P287 L573 L581	L266-V274 HydrophobicContact CD1-CG1 3.46Å; L266-V274 VanDerWaalsContact CD1-CG1 3.46Å; F267-V274 CarbonylContact O-C 3.51Å; F267-V274 WeakPolarHBondContact O-CA 3.49Å; V274-Y285 HydrophobicContact CB-CD1 4.42Å; V274-Y285 PolarHBondContact N-O 2.77Å; V274-Y285 PolarHBondContact O-N 2.89Å; V274-P287 HydrophobicContact CG2-CG 4.02Å; V274-L573 HydrophobicContact CB-CD1 4.37Å; V274-L573 HydrophobicContact CG1-CD1 3.94Å; V274-L573 HydrophobicContact CG2-CD1 3.49Å; V274-L573 VanDerWaalsContact CG2-CD1 3.49Å; V274-L573 HydrophobicContact CG2-CD2 4.3Å; V274-L581 HydrophobicContact CG1-CD2 3.99Å
275	V	97.8	Very high	96.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.4	-176.1	-172.9	0	0	0	0	111	L266 F267 L269 V282 V283 L284 L312	L266-V275 WeakPolarHBondContact CA-O 3.48Å; F267-V275 PolarHBondContact N-O 2.85Å; F267-V275 PolarHBondContact O-N 3.06Å; L269-V275 HydrophobicContact CD1-CG2 3.39Å; L269-V275 HydrophobicContact CD2-CG2 4.26Å; L269-V275 HydrophobicContact CG-CG2 3.51Å; V275-V282 HydrophobicContact CG1-CG1 3.48Å; V275-V282 VanDerWaalsContact CG1-CG1 3.48Å; V275-V283 WeakPolarHBondContact CA-O 3.49Å; V275-L284 HydrophobicContact CG2-CB 4.39Å; V275-L284 HydrophobicContact CG2-CD2 4.38Å; V275-L284 HydrophobicContact CG2-CG 4.05Å; V275-L312 HydrophobicContact CG1-CD2 3.97Å
276	Y	98.5	Very high	95.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	178.6	176.7	64.4	-88.9	0	0	0	109.7	G256 Y257 N265 V282 V283 Q299 L581 I594	G256-Y276 WeakPolarHBondContact O-CE2 3.45Å; Y257-Y276 AromaticContact CD2-CD2 3.85Å; Y257-Y276 HydrophobicContact CD2-CD2 3.85Å; Y257-Y276 AromaticContact CD2-CG 3.97Å; Y257-Y276 HydrophobicContact CD2-CG 3.97Å; N265-Y276 VanDerWaalsContact O-CA 3.32Å; N265-Y276 WeakPolarHBondContact O-CA 3.49Å; N265-Y276 WeakPolarHBondContact O-CB 3.14Å; Y276-V282 CarbonylContact O-C 3.52Å; Y276-V282 WeakPolarHBondContact O-CA 3.44Å; Y276-V282 WeakPolarHBondContact O-CG1 3.48Å; Y276-V283 HydrophobicContact CD2-CB 4.33Å; Y276-V283 HydrophobicContact CD2-CG2 4.49Å; Y276-V283 HydrophobicContact CE1-CB 4.08Å; Y276-V283 HydrophobicContact CE1-CG1 4.07Å; Y276-V283 HydrophobicContact CE2-CB 3.87Å; Y276-V283 HydrophobicContact CE2-CG1 4.38Å; Y276-V283 HydrophobicContact CE2-CG2 3.89Å; Y276-V283 PolarHBondContact N-O 2.96Å; Y276-V283 PolarHBondContact O-N 3.04Å; Y276-Q299 PolarHBondContact OH-NE2 2.84Å; Y276-L581 HydrophobicContact CD1-CD2 4.19Å; Y276-L581 HydrophobicContact CE1-CD2 4.15Å; Y276-I594 HydrophobicContact CE1-CG1 4.33Å; Y276-I594 WeakPolarHBondContact OH-CD1 3.49Å; Y276-I594 WeakPolarHBondContact OH-CG1 3.32Å
277	F	98.5	Very high	94.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.3	174.7	58.2	-96.8	0	0	0	113.3	R258 S262 N265 V281 V282 V309 R310 L312	R258-F277 HydrophobicContact CB-CD2 4.44Å; R258-F277 WeakPolarHBondContact CB-O 3.25Å; R258-F277 PolarHBondContact N-O 2.92Å; S262-F277 WeakPolarHBondContact OG-CZ 3.37Å; N265-F277 HydrophobicContact CB-CD1 4.06Å; N265-F277 HydrophobicContact CB-CE1 3.29Å; N265-F277 HydrophobicContact CB-CE2 4.47Å; N265-F277 HydrophobicContact CB-CZ 3.53Å; F277-V281 VanDerWaalsContact CA-O 3.3Å; F277-V281 WeakPolarHBondContact CA-O 3.42Å; F277-V281 VanDerWaalsContact CB-O 3.24Å; F277-V281 WeakPolarHBondContact CB-O 3.35Å; F277-V282 HydrophobicContact CB-CB 4.5Å; F277-V282 HydrophobicContact CB-CG1 4.45Å; F277-V282 HydrophobicContact CB-CG2 4.3Å; F277-V309 HydrophobicContact CB-CB 3.96Å; F277-V309 HydrophobicContact CB-CG1 3.91Å; F277-V309 HydrophobicContact CB-CG2 4.46Å; F277-V309 HydrophobicContact CD1-CB 4.43Å; F277-V309 HydrophobicContact CD1-CG1 3.62Å; F277-V309 HydrophobicContact CD2-CB 3.66Å; F277-V309 HydrophobicContact CD2-CG1 3.69Å; F277-V309 HydrophobicContact CE1-CG1 3.98Å; F277-V309 HydrophobicContact CE2-CB 4.24Å; F277-V309 HydrophobicContact CE2-CG1 4.06Å; F277-V309 VanDerWaalsContact CE2-O 3.24Å; F277-V309 WeakPolarHBondContact CE2-O 3.26Å; F277-V309 HydrophobicContact CG-CB 3.77Å; F277-V309 HydrophobicContact CG-CG1 3.46Å; F277-V309 VanDerWaalsContact CG-CG1 3.46Å; F277-V309 HydrophobicContact CZ-CG1 4.2Å; F277-R310 VanDerWaalsContact CZ-C 3.42Å; F277-R310 VanDerWaalsContact CZ-O 3.29Å; F277-R310 WeakPolarHBondContact CZ-O 3.37Å; F277-L312 HydrophobicContact CD1-CB 3.8Å; F277-L312 HydrophobicContact CD1-CD2 4.11Å; F277-L312 HydrophobicContact CD1-CG 4.45Å; F277-L312 HydrophobicContact CE1-CB 3.57Å
278	I	98.3	Very high	92.5	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	150.5	166.3	-169	169.1	0	0	0	107.8	V254 R258 C280 V281	V254-I278 HydrophobicContact CG1-CG2 3.39Å; R258-I278 HydrophobicContact CB-CB 4.38Å; R258-I278 HydrophobicContact CB-CG1 4.37Å; I278-C280 PolarHBondContact O-N 3.02Å; I278-V281 PolarHBondContact N-O 3.35Å; I278-V281 VanDerWaalsContact N-O 3.16Å; I278-V281 PolarHBondContact O-N 3.37Å
279	A	97.9	Very high	90.2	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	-133.1	-173.5	0	0	0	0	0	112.1	C308 V309 G838 D862 F866	A279-C308 WeakPolarHBondContact O-CA 3.32Å; A279-V309 PolarHBondContact O-N 3.17Å; A279-G838 WeakPolarHBondContact CB-O 3.24Å; A279-D862 HydrophobicContact CB-CB 4.03Å; A279-D862 VanDerWaalsContact CB-OD2 3.25Å; A279-D862 WeakPolarHBondContact CB-OD2 3.1Å; A279-F866 HydrophobicContact CB-CE1 4.4Å; A279-F866 HydrophobicContact CB-CZ 4.41Å
280	C	98.1	Very high	87.5	Confident	5 Å²	5	23.3 Å²	23.3	3%	0.034	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	13.1	177.2	-53	0	0	0	0	113.2	I278 D307 C308 G838 H839 G840	I278-C280 PolarHBondContact O-N 3.02Å; C280-D307 VanDerWaalsContact SG-CA 3.51Å; C280-C308 PolarHBondContact SG-N 3.14Å; C280-C308 VanDerWaalsContact SG-N 3.43Å; C280-G838 VanDerWaalsContact CB-O 3.31Å; C280-G838 WeakPolarHBondContact CB-O 3.45Å; C280-G838 PolarHBondContact N-O 3.49Å; C280-H839 PolarHBondContact SG-O 3.42Å; C280-G840 WeakPolarHBondContact SG-CA 3.41Å
281	V	98.4	Very high	85	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.8	-170.5	178.7	0	0	0	0	111.4	F277 I278 V283 H301 R303 F866	F277-V281 VanDerWaalsContact CA-O 3.3Å; F277-V281 WeakPolarHBondContact CA-O 3.42Å; F277-V281 VanDerWaalsContact CB-O 3.24Å; F277-V281 WeakPolarHBondContact CB-O 3.35Å; I278-V281 PolarHBondContact N-O 3.35Å; I278-V281 VanDerWaalsContact N-O 3.16Å; I278-V281 PolarHBondContact O-N 3.37Å; V281-V283 HydrophobicContact CG1-CG2 4.23Å; V281-H301 HydrophobicContact CG1-CB 3.8Å; V281-R303 HydrophobicContact CG1-CG 4.37Å; V281-R303 HydrophobicContact CG2-CG 4.11Å; V281-F866 HydrophobicContact CB-CZ 4.25Å; V281-F866 HydrophobicContact CG2-CE2 3.81Å; V281-F866 HydrophobicContact CG2-CZ 3.67Å
282	V	98.7	Very high	82.7	Confident	0 Å²	0	18 Å²	18	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.4	162.7	-163.6	0	0	0	0	108.1	V275 Y276 F277 Y302 V309 L312 W343	V275-V282 HydrophobicContact CG1-CG1 3.48Å; V275-V282 VanDerWaalsContact CG1-CG1 3.48Å; Y276-V282 CarbonylContact O-C 3.52Å; Y276-V282 WeakPolarHBondContact O-CA 3.44Å; Y276-V282 WeakPolarHBondContact O-CG1 3.48Å; F277-V282 HydrophobicContact CB-CB 4.5Å; F277-V282 HydrophobicContact CB-CG1 4.45Å; F277-V282 HydrophobicContact CB-CG2 4.3Å; V282-Y302 HydrophobicContact CG2-CD1 4.23Å; V282-Y302 PolarHBondContact N-O 2.81Å; V282-Y302 VanDerWaalsContact N-O 3.1Å; V282-Y302 PolarHBondContact O-N 2.88Å; V282-V309 HydrophobicContact CG2-CG1 4.37Å; V282-V309 HydrophobicContact CG2-CG2 4.18Å; V282-L312 HydrophobicContact CG1-CD1 3.92Å; V282-L312 HydrophobicContact CG1-CD2 4.39Å; V282-W343 HydrophobicContact CB-CH2 4.24Å; V282-W343 HydrophobicContact CB-CZ2 3.83Å; V282-W343 HydrophobicContact CG1-CH2 4.14Å; V282-W343 HydrophobicContact CG1-CZ2 3.82Å; V282-W343 HydrophobicContact CG2-CZ2 4.04Å
283	V	98.4	Very high	80.1	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.4	-178.8	-173.3	0	0	0	0	108.8	V254 V275 Y276 V281 Q299	V254-V283 HydrophobicContact CB-CG2 4.17Å; V254-V283 HydrophobicContact CG1-CG2 4.33Å; V275-V283 WeakPolarHBondContact CA-O 3.49Å; Y276-V283 HydrophobicContact CD2-CB 4.33Å; Y276-V283 HydrophobicContact CD2-CG2 4.49Å; Y276-V283 HydrophobicContact CE1-CB 4.08Å; Y276-V283 HydrophobicContact CE1-CG1 4.07Å; Y276-V283 HydrophobicContact CE2-CB 3.87Å; Y276-V283 HydrophobicContact CE2-CG1 4.38Å; Y276-V283 HydrophobicContact CE2-CG2 3.89Å; Y276-V283 PolarHBondContact N-O 2.96Å; Y276-V283 PolarHBondContact O-N 3.04Å; V281-V283 HydrophobicContact CG1-CG2 4.23Å; V283-Q299 HydrophobicContact CG1-CB 4.13Å; V283-Q299 VanDerWaalsContact CG1-CD 3.46Å; V283-Q299 HydrophobicContact CG1-CG 3.76Å
284	L	97.1	Very high	77.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	103.3	170.3	-54.6	85.5	0	0	0	107.1	L269 E273 V275 Q299 R300 W343 L348	L269-L284 HydrophobicContact CD1-CD2 3.86Å; E273-L284 HydrophobicContact CB-CB 4.49Å; V275-L284 HydrophobicContact CG2-CB 4.39Å; V275-L284 HydrophobicContact CG2-CD2 4.38Å; V275-L284 HydrophobicContact CG2-CG 4.05Å; L284-Q299 CarbonylContact O-C 3.58Å; L284-Q299 WeakPolarHBondContact O-CA 3.21Å; L284-R300 HydrophobicContact CB-CB 4.3Å; L284-R300 WeakPolarHBondContact CD1-O 3.49Å; L284-R300 PolarHBondContact N-O 2.77Å; L284-R300 PolarHBondContact O-N 2.98Å; L284-W343 HydrophobicContact CD1-CH2 3.92Å; L284-W343 HydrophobicContact CD1-CZ3 4.06Å; L284-W343 HydrophobicContact CD2-CH2 4.32Å; L284-W343 HydrophobicContact CD2-CZ3 4.12Å; L284-W343 HydrophobicContact CG-CH2 4.33Å; L284-L348 HydrophobicContact CD1-CD2 3.74Å; L284-L348 HydrophobicContact CD2-CD2 3.97Å
285	Y	93.6	Very high	74.5	Confident	11 Å²	11	28 Å²	28	4%	0.043	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.6	-175.5	167.6	-124.1	0	0	0	110.4	W253 E273 V274 P287 Q299 V593 I594	W253-Y285 HydrophobicContact CH2-CD2 4.09Å; W253-Y285 AromaticContact CH2-CE2 3.87Å; W253-Y285 HydrophobicContact CH2-CE2 3.87Å; W253-Y285 HydrophobicContact CZ2-CD2 4.45Å; W253-Y285 HydrophobicContact CZ2-CE2 4.27Å; E273-Y285 CarbonylContact C-O 3.56Å; E273-Y285 WeakPolarHBondContact CA-O 3.42Å; V274-Y285 HydrophobicContact CB-CD1 4.42Å; V274-Y285 PolarHBondContact N-O 2.77Å; V274-Y285 PolarHBondContact O-N 2.89Å; Y285-P287 HydrophobicContact CD1-CB 4.37Å; Y285-P287 HydrophobicContact CE1-CB 3.69Å; Y285-P287 WeakPolarHBondContact O-CD 3.31Å; Y285-Q299 HydrophobicContact CD2-CG 4.27Å; Y285-V593 HydrophobicContact CE1-CB 3.98Å; Y285-V593 HydrophobicContact CE1-CG2 4.01Å; Y285-I594 HydrophobicContact CD1-CG1 4.47Å; Y285-I594 HydrophobicContact CG-CD1 4.49Å
286	R	88.5	Confident	72.2	Confident	88 Å²	88	30.8 Å²	30.8	33%	0.332	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	108.2	172.8	-178.6	172.6	-77.6	88.6	7.3	110.1	E273 G288 G297 G298	E273-R286 HydrophobicContact CG-CB 4.11Å; E273-R286 IonicContact OE1-CZ 3.73Å; E273-R286 IonicContact OE1-NH1 3.11Å; E273-R286 PolarHBondContact OE1-NH1 3.19Å; E273-R286 IonicContact OE1-NH2 2.93Å; E273-R286 PolarHBondContact OE1-NH2 2.98Å; E273-R286 IonicContact OE2-NH2 3.45Å; R286-G288 VanDerWaalsContact C-N 3.25Å; R286-G288 PolarHBondContact O-N 2.83Å; R286-G297 WeakPolarHBondContact O-CA 3.4Å; R286-G298 PolarHBondContact N-O 3.38Å
287	P	68.9	Low	70.6	Confident	16 Å²	16	32.3 Å²	32.3	10%	0.104	26%	0.264	C	S	.	.			trans	-82.8	64.1	-177.7	36.7	-38.6	0	0	0	111.6	V274 Y285 R583	V274-P287 HydrophobicContact CG2-CG 4.02Å; Y285-P287 HydrophobicContact CD1-CB 4.37Å; Y285-P287 HydrophobicContact CE1-CB 3.69Å; Y285-P287 WeakPolarHBondContact O-CD 3.31Å; P287-R583 PolarHBondContact O-NH1 3.03Å
288	G	56.2	Low	69.9	Low	22 Å²	22	33.5 Å²	33.5	23%	0.227	28%	0.275	C	S	.	.	S	Bend	trans	-124.6	103.8	-175.3	0	0	0	0	0	113.1	R286 G297	R286-G288 VanDerWaalsContact C-N 3.25Å; R286-G288 PolarHBondContact O-N 2.83Å; G288-G297 WeakPolarHBondContact O-CA 3.45Å; G288-G297 PolarHBondContact O-N 3.08Å
289	G	47	Very low	69.6	Low	47 Å²	47	34.4 Å²	34.4	49%	0.485	28%	0.28	S	S	.	.	S	Bend	trans	75.3	159.1	-163.5	0	0	0	0	0	111.7
290	G	39.8	Very low	69.5	Low	49 Å²	49	37.4 Å²	37.4	51%	0.505	29%	0.291	S	S	.	.	S	Bend	trans	-63.5	149.2	165.5	0	0	0	0	0	109.7	G292 G293	G290-G292 PolarHBondContact O-N 3.18Å; G290-G293 WeakPolarHBondContact O-CA 3.46Å; G290-G293 PolarHBondContact O-N 3.49Å
291	P	39.9	Very low	69.4	Low	40 Å²	40	38.2 Å²	38.2	26%	0.26	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	133.3	166.8	23.8	-35.8	0	0	0	110.6	W253 G293 S629 H630	W253-P291 HydrophobicContact CH2-CB 4.43Å; P291-G293 VanDerWaalsContact C-N 3.32Å; P291-S629 WeakPolarHBondContact CB-O 3.48Å; P291-S629 WeakPolarHBondContact CG-O 3.4Å; P291-S629 WeakPolarHBondContact O-CB 3.49Å; P291-H630 HydrophobicContact CB-CB 4.13Å
292	G	43.1	Very low	69.4	Low	74 Å²	74	38.5 Å²	38.5	76%	0.763	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-9.9	-168.7	0	0	0	0	0	115.9	G290	G290-G292 PolarHBondContact O-N 3.18Å
293	G	34.1	Very low	69.4	Low	32 Å²	32	43 Å²	43	33%	0.33	31%	0.312	S	S	.	.	S	Bend	trans	-83.6	157.5	-179.1	0	0	0	0	0	114.5	G290 P291 G295	G290-G293 WeakPolarHBondContact O-CA 3.46Å; G290-G293 PolarHBondContact O-N 3.49Å; P291-G293 VanDerWaalsContact C-N 3.32Å; G293-G295 PolarHBondContact O-N 3.02Å
294	P	30.8	Very low	69.2	Low	152 Å²	152	44.5 Å²	44.5	99%	0.987	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	17.3	-175.3	-21.1	34.4	0	0	0	117.1
295	G	41.8	Very low	69.3	Low	51 Å²	51	45.1 Å²	45.1	53%	0.526	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-2.8	-168.7	0	0	0	0	0	116.7	G293	G293-G295 PolarHBondContact O-N 3.02Å
296	G	48.4	Very low	69.3	Low	58 Å²	58	48.3 Å²	48.3	60%	0.598	35%	0.351	S	S	*	.			trans	75.6	21.5	179.7	0	0	0	0	0	115.3
297	G	64.6	Low	69.7	Low	32 Å²	32	45.2 Å²	45.2	33%	0.33	34%	0.341	S	S	.	.			trans	-64.7	148.4	167.1	0	0	0	0	0	111.4	R286 G288	R286-G297 WeakPolarHBondContact O-CA 3.4Å; G288-G297 WeakPolarHBondContact O-CA 3.45Å; G288-G297 PolarHBondContact O-N 3.08Å
298	G	83.3	Confident	71	Confident	24 Å²	24	45 Å²	45	25%	0.247	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.1	171.9	-172	0	0	0	0	0	113.1	R286	R286-G298 PolarHBondContact N-O 3.38Å
299	Q	93.1	Very high	73	Confident	21 Å²	21	44 Å²	44	10%	0.098	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	151.7	166.7	-69.8	-174.6	4.4	0	0	111.3	W253 V254 Y276 V283 L284 Y285 H301	W253-Q299 HydrophobicContact CD2-CG 3.89Å; W253-Q299 HydrophobicContact CE3-CB 4.18Å; W253-Q299 HydrophobicContact CE3-CG 3.74Å; W253-Q299 HydrophobicContact CH2-CG 4.01Å; W253-Q299 HydrophobicContact CZ2-CG 4.12Å; W253-Q299 HydrophobicContact CZ3-CB 4.39Å; W253-Q299 HydrophobicContact CZ3-CG 3.82Å; V254-Q299 PolarHBondContact O-NE2 2.9Å; Y276-Q299 PolarHBondContact OH-NE2 2.84Å; V283-Q299 HydrophobicContact CG1-CB 4.13Å; V283-Q299 VanDerWaalsContact CG1-CD 3.46Å; V283-Q299 HydrophobicContact CG1-CG 3.76Å; L284-Q299 CarbonylContact O-C 3.58Å; L284-Q299 WeakPolarHBondContact O-CA 3.21Å; Y285-Q299 HydrophobicContact CD2-CG 4.27Å; Q299-H301 WeakPolarHBondContact CB-NE2 3.49Å; Q299-H301 PolarHBondContact OE1-NE2 2.93Å
300	R	95	Very high	75.3	Confident	63 Å²	63	44.3 Å²	44.3	24%	0.238	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	153.3	161.4	-49.9	-171.4	-68.3	124.7	0.4	108.3	E273 L284 S345 E346 L348	E273-R300 VanDerWaalsContact CD-NH2 3.32Å; E273-R300 IonicContact OE1-CZ 2.72Å; E273-R300 IonicContact OE1-NE 3.15Å; E273-R300 PolarHBondContact OE1-NE 2.84Å; E273-R300 IonicContact OE1-NH2 3.26Å; E273-R300 PolarHBondContact OE1-NH2 2.89Å; E273-R300 IonicContact OE2-CZ 3.8Å; E273-R300 IonicContact OE2-NE 2.65Å; E273-R300 IonicContact OE2-NH2 3.36Å; E273-R300 PolarHBondContact OE2-NH2 3.17Å; L284-R300 HydrophobicContact CB-CB 4.3Å; L284-R300 WeakPolarHBondContact CD1-O 3.49Å; L284-R300 PolarHBondContact N-O 2.77Å; L284-R300 PolarHBondContact O-N 2.98Å; R300-S345 VanDerWaalsContact CZ-O 3.3Å; R300-S345 PolarHBondContact NH1-O 3.12Å; R300-S345 PolarHBondContact NH2-O 2.85Å; R300-E346 PolarHBondContact NH1-O 3.03Å; R300-L348 HydrophobicContact CB-CD1 4.17Å
301	H	97.5	Very high	78.1	Confident	23 Å²	23	42.3 Å²	42.3	11%	0.106	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	115.6	-168	-48.9	96.5	0	0	0	112.3	L251 V281 Q299 R303	L251-H301 HydrophobicContact CD2-CB 4.06Å; V281-H301 HydrophobicContact CG1-CB 3.8Å; Q299-H301 WeakPolarHBondContact CB-NE2 3.49Å; Q299-H301 PolarHBondContact OE1-NE2 2.93Å; H301-R303 HydrophobicContact CB-CG 3.91Å; H301-R303 PolarHBondContact O-N 3.42Å
302	Y	98.4	Very high	80.9	Confident	6 Å²	6	40.7 Å²	40.7	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	110.7	164.2	178.7	-102.8	0	0	0	109.2	V282 H305 H341 W343 L348	V282-Y302 HydrophobicContact CG2-CD1 4.23Å; V282-Y302 PolarHBondContact N-O 2.81Å; V282-Y302 VanDerWaalsContact N-O 3.1Å; V282-Y302 PolarHBondContact O-N 2.88Å; Y302-H305 AromaticContact CE1-CD2 3.73Å; Y302-H305 AromaticContact CE1-NE2 3.9Å; Y302-H341 HydrophobicContact CE1-CB 4.25Å; Y302-H341 WeakPolarHBondContact OH-CB 3.27Å; Y302-H341 PolarHBondContact OH-ND1 2.89Å; Y302-W343 AromaticContact CD1-CD1 3.92Å; Y302-W343 AromaticContact CD1-CD2 3.89Å; Y302-W343 HydrophobicContact CD1-CD2 3.89Å; Y302-W343 AromaticContact CD1-CE2 3.57Å; Y302-W343 HydrophobicContact CD1-CG 4.11Å; Y302-W343 HydrophobicContact CD1-CZ2 4.02Å; Y302-W343 AromaticContact CD1-NE1 3.58Å; Y302-W343 HydrophobicContact CD2-CB 4.14Å; Y302-W343 AromaticContact CD2-CD2 3.67Å; Y302-W343 HydrophobicContact CD2-CD2 3.67Å; Y302-W343 AromaticContact CD2-CE3 3.8Å; Y302-W343 HydrophobicContact CD2-CE3 3.8Å; Y302-W343 AromaticContact CD2-CG 3.84Å; Y302-W343 HydrophobicContact CD2-CG 3.84Å; Y302-W343 HydrophobicContact CD2-CZ3 4.45Å; Y302-W343 AromaticContact CE1-CD1 3.56Å; Y302-W343 HydrophobicContact CE1-CD2 4.22Å; Y302-W343 AromaticContact CE1-CG 3.93Å; Y302-W343 HydrophobicContact CE1-CG 3.93Å; Y302-W343 AromaticContact CE1-NE1 3.63Å; Y302-W343 HydrophobicContact CE2-CB 3.66Å; Y302-W343 HydrophobicContact CE2-CD2 4.03Å; Y302-W343 HydrophobicContact CE2-CE3 4.49Å; Y302-W343 AromaticContact CE2-CG 3.67Å; Y302-W343 HydrophobicContact CE2-CG 3.67Å; Y302-W343 AromaticContact CG-CD2 3.59Å; Y302-W343 HydrophobicContact CG-CD2 3.59Å; Y302-W343 AromaticContact CG-CE2 3.66Å; Y302-W343 AromaticContact CG-CE3 3.83Å; Y302-W343 HydrophobicContact CG-CE3 3.83Å; Y302-W343 HydrophobicContact CG-CG 4.06Å; Y302-W343 HydrophobicContact CG-CH2 4.23Å; Y302-W343 AromaticContact CG-CZ2 3.99Å; Y302-W343 HydrophobicContact CG-CZ2 3.99Å; Y302-W343 HydrophobicContact CG-CZ3 4.14Å; Y302-W343 AromaticContact CZ-CD1 3.67Å; Y302-W343 AromaticContact CZ-CG 3.71Å; Y302-L348 WeakPolarHBondContact CD2-O 3.3Å
303	R	96.9	Very high	83.5	Confident	94 Å²	94	37.7 Å²	37.7	36%	0.355	25%	0.251	S	S	.	.			trans	-111.1	22.9	-173.8	-61.6	171.8	64.1	-162.8	-1.8	112.7	L251 V281 H301 H305 G837	L251-R303 HydrophobicContact CD2-CG 4.46Å; V281-R303 HydrophobicContact CG1-CG 4.37Å; V281-R303 HydrophobicContact CG2-CG 4.11Å; H301-R303 HydrophobicContact CB-CG 3.91Å; H301-R303 PolarHBondContact O-N 3.42Å; R303-H305 VanDerWaalsContact C-N 3.28Å; R303-H305 PolarHBondContact O-N 3.44Å; R303-G837 PolarHBondContact NE-O 2.74Å; R303-G837 PolarHBondContact NH2-O 3.06Å
304	G	96	Very high	86.5	Confident	32 Å²	32	37.7 Å²	37.7	33%	0.33	25%	0.245	S	C	.	.			trans	-76.1	-8.3	-175.4	0	0	0	0	0	115.3	H341	G304-H341 PolarHBondContact O-CE1 2.99Å
305	H	97.5	Very high	89.7	Confident	13 Å²	13	30.8 Å²	30.8	6%	0.06	20%	0.2	C	C	.	.			trans	-86.4	143.8	179.5	-75.5	-73.8	0	0	0	112.8	Y302 R303 V309 S323 Q325 H341	Y302-H305 AromaticContact CE1-CD2 3.73Å; Y302-H305 AromaticContact CE1-NE2 3.9Å; R303-H305 VanDerWaalsContact C-N 3.28Å; R303-H305 PolarHBondContact O-N 3.44Å; H305-V309 HydrophobicContact CB-CG2 4.3Å; H305-S323 PolarHBondContact CE1-O 3.28Å; H305-S323 PolarHBondContact NE2-O 2.73Å; H305-S323 PolarHBondContact NE2-OG 2.92Å; H305-Q325 PolarHBondContact ND1-OE1 2.91Å; H305-H341 AromaticContact CD2-ND1 3.73Å; H305-H341 AromaticContact CE1-CE1 3.81Å; H305-H341 AromaticContact CE1-CG 3.66Å; H305-H341 AromaticContact CE1-ND1 3.04Å; H305-H341 PolarHBondContact CE1-ND1 3.42Å; H305-H341 AromaticContact CG-ND1 3.62Å; H305-H341 AromaticContact ND1-CE1 3.54Å; H305-H341 AromaticContact ND1-ND1 3.17Å; H305-H341 PolarHBondContact ND1-ND1 3.41Å; H305-H341 VanDerWaalsContact ND1-ND1 3.17Å; H305-H341 AromaticContact NE2-CG 3.97Å; H305-H341 AromaticContact NE2-ND1 3.35Å; H305-H341 PolarHBondContact NE2-ND1 3.14Å
306	T	94.8	Very high	92.4	Very high	77 Å²	77	31.5 Å²	31.5	47%	0.472	20%	0.195	S	C	.	.	S	Bend	trans	-91.4	-18.7	178.5	58.1	0	0	0	0	113	Q325	T306-Q325 VanDerWaalsContact N-OE1 3.08Å; T306-Q325 PolarHBondContact OG1-NE2 3.23Å
307	D	95.7	Very high	94.6	Very high	23 Å²	23	30.5 Å²	30.5	12%	0.123	18%	0.176	C	C	.	.	S	Bend	trans	-144.7	173.2	-177	-146	-49.4	0	0	0	110.5	C280 V309 T326 G328 L336	C280-D307 VanDerWaalsContact SG-CA 3.51Å; D307-V309 PolarHBondContact O-N 3.39Å; D307-T326 HydrophobicContact CB-CG2 3.86Å; D307-T326 VanDerWaalsContact CG-CG2 3.44Å; D307-T326 WeakPolarHBondContact OD1-CG2 3.46Å; D307-G328 VanDerWaalsContact OD2-CA 3.29Å; D307-G328 WeakPolarHBondContact OD2-CA 3.18Å; D307-L336 HydrophobicContact CB-CD1 4.43Å
308	C	96.9	Very high	96.1	Very high	13 Å²	13	29.7 Å²	29.7	9%	0.088	17%	0.167	C	C	.	.			trans	-47.5	127.3	-174.2	-94.7	0	0	0	0	113.2	R258 A279 C280 Q325 T326	R258-C308 PolarHBondContact NH1-SG 3.17Å; R258-C308 VanDerWaalsContact NH1-SG 3.39Å; A279-C308 WeakPolarHBondContact O-CA 3.32Å; C280-C308 PolarHBondContact SG-N 3.14Å; C280-C308 VanDerWaalsContact SG-N 3.43Å; C308-Q325 CarbonylContact O-C 3.23Å; C308-Q325 VanDerWaalsContact O-CA 3.3Å; C308-Q325 WeakPolarHBondContact O-CA 3.47Å; C308-T326 HydrophobicContact CB-CG2 3.74Å; C308-T326 PolarHBondContact O-N 3.38Å
309	V	98.3	Very high	96.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	136.8	168.5	-173.5	0	0	0	0	109	R258 F277 A279 V282 H305 D307	R258-V309 PolarHBondContact NH1-O 2.88Å; F277-V309 HydrophobicContact CB-CB 3.96Å; F277-V309 HydrophobicContact CB-CG1 3.91Å; F277-V309 HydrophobicContact CB-CG2 4.46Å; F277-V309 HydrophobicContact CD1-CB 4.43Å; F277-V309 HydrophobicContact CD1-CG1 3.62Å; F277-V309 HydrophobicContact CD2-CB 3.66Å; F277-V309 HydrophobicContact CD2-CG1 3.69Å; F277-V309 HydrophobicContact CE1-CG1 3.98Å; F277-V309 HydrophobicContact CE2-CB 4.24Å; F277-V309 HydrophobicContact CE2-CG1 4.06Å; F277-V309 VanDerWaalsContact CE2-O 3.24Å; F277-V309 WeakPolarHBondContact CE2-O 3.26Å; F277-V309 HydrophobicContact CG-CB 3.77Å; F277-V309 HydrophobicContact CG-CG1 3.46Å; F277-V309 VanDerWaalsContact CG-CG1 3.46Å; F277-V309 HydrophobicContact CZ-CG1 4.2Å; A279-V309 PolarHBondContact O-N 3.17Å; V282-V309 HydrophobicContact CG2-CG1 4.37Å; V282-V309 HydrophobicContact CG2-CG2 4.18Å; H305-V309 HydrophobicContact CB-CG2 4.3Å; D307-V309 PolarHBondContact O-N 3.39Å
310	R	96.5	Very high	97	Very high	54 Å²	54	32.6 Å²	32.6	20%	0.204	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-37.8	-173.8	-67.6	-63	-63.3	155	-0.9	113.1	D261 S262 F277 G324 V363 D382	D261-R310 IonicContact OD2-NH1 3.79Å; D261-R310 PolarHBondContact OD2-NH1 3.48Å; S262-R310 PolarHBondContact OG-O 3.4Å; F277-R310 VanDerWaalsContact CZ-C 3.42Å; F277-R310 VanDerWaalsContact CZ-O 3.29Å; F277-R310 WeakPolarHBondContact CZ-O 3.37Å; R310-G324 PolarHBondContact N-O 3.1Å; R310-V363 WeakPolarHBondContact CB-O 2.92Å; R310-D382 IonicContact NE-OD2 3.9Å; R310-D382 IonicContact NH2-OD2 2.82Å
311	C	97.4	Very high	97.2	Very high	7 Å²	7	29.6 Å²	29.6	5%	0.047	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	160.6	-179.7	59.6	0	0	0	0	112	S323 G324 V363 L366	C311-S323 WeakPolarHBondContact O-CA 3.43Å; C311-G324 PolarHBondContact O-N 3.38Å; C311-V363 VanDerWaalsContact SG-CG1 3.59Å; C311-V363 PolarHBondContact SG-O 2.8Å; C311-L366 HydrophobicContact CB-CG 4.45Å
312	L	97.9	Very high	97.2	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	142.4	-172.1	-179.4	73.5	0	0	0	109.4	F267 V275 F277 V282 V321 A322	F267-L312 HydrophobicContact CD2-CD2 3.68Å; F267-L312 HydrophobicContact CD2-CG 4.04Å; F267-L312 HydrophobicContact CE2-CB 4.15Å; F267-L312 HydrophobicContact CE2-CD2 3.94Å; F267-L312 HydrophobicContact CE2-CG 3.94Å; F267-L312 WeakPolarHBondContact CE2-O 3.32Å; F267-L312 WeakPolarHBondContact CZ-O 3.34Å; V275-L312 HydrophobicContact CG1-CD2 3.97Å; F277-L312 HydrophobicContact CD1-CB 3.8Å; F277-L312 HydrophobicContact CD1-CD2 4.11Å; F277-L312 HydrophobicContact CD1-CG 4.45Å; F277-L312 HydrophobicContact CE1-CB 3.57Å; V282-L312 HydrophobicContact CG1-CD1 3.92Å; V282-L312 HydrophobicContact CG1-CD2 4.39Å; L312-V321 HydrophobicContact CD1-CG1 3.37Å; L312-V321 HydrophobicContact CG-CG1 4.4Å; L312-A322 CarbonylContact C-O 3.57Å; L312-A322 WeakPolarHBondContact CA-O 3.35Å
313	A	98.2	Very high	97.2	Very high	10 Å²	10	28.2 Å²	28.2	8%	0.083	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	144.7	164.1	0	0	0	0	0	110.9	A322 L366 F368	A313-A322 PolarHBondContact N-O 2.85Å; A313-A322 PolarHBondContact O-N 2.83Å; A313-L366 HydrophobicContact CB-CD1 3.43Å; A313-L366 VanDerWaalsContact CB-CD1 3.43Å; A313-F368 HydrophobicContact CB-CD2 4.31Å
314	V	98.1	Very high	97.3	Very high	33 Å²	33	23.7 Å²	23.7	20%	0.2	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	137.6	172.7	-179.4	0	0	0	0	109.2	F267 L269	F267-V314 HydrophobicContact CB-CG2 3.58Å; F267-V314 HydrophobicContact CD1-CG2 4.28Å; F267-V314 HydrophobicContact CD2-CG2 4.24Å; F267-V314 HydrophobicContact CG-CG2 3.79Å; L269-V314 HydrophobicContact CD2-CG1 3.85Å; L269-V314 HydrophobicContact CD2-CG2 4.06Å
315	H	98.3	Very high	97.3	Very high	7 Å²	7	22.4 Å²	22.4	3%	0.032	12%	0.123	C	C	.	.			trans	-70.1	152.2	176.8	-175.4	-86.8	0	0	0	110.7	D317 G318 R320 F368 Q373 G374	H315-D317 IonicContact CE1-OD2 2.86Å; H315-D317 PolarHBondContact CE1-OD2 2.89Å; H315-D317 IonicContact CG-OD1 3.19Å; H315-D317 IonicContact CG-OD2 3.56Å; H315-D317 PolarHBondContact ND1-N 2.64Å; H315-D317 IonicContact ND1-OD1 2.79Å; H315-D317 PolarHBondContact ND1-OD1 2.95Å; H315-D317 IonicContact ND1-OD2 2.64Å; H315-D317 PolarHBondContact ND1-OD2 2.81Å; H315-D317 PolarHBondContact O-N 3.33Å; H315-G318 PolarHBondContact O-N 2.83Å; H315-R320 HydrophobicContact CB-CB 3.6Å; H315-R320 WeakPolarHBondContact CB-O 3.37Å; H315-R320 PolarHBondContact CE1-NH2 2.98Å; H315-R320 PolarHBondContact N-O 2.81Å; H315-R320 PolarHBondContact ND1-NH2 3.18Å; H315-R320 PolarHBondContact NE2-NH2 2.83Å; H315-F368 VanDerWaalsContact CA-CD2 3.48Å; H315-F368 HydrophobicContact CB-CD2 4.02Å; H315-F368 HydrophobicContact CB-CE2 3.79Å; H315-F368 HydrophobicContact CB-CG 4.48Å; H315-F368 HydrophobicContact CB-CZ 4.08Å; H315-F368 AromaticContact CD2-CD1 3.69Å; H315-F368 AromaticContact CD2-CE1 3.62Å; H315-F368 AromaticContact CD2-CZ 3.93Å; H315-Q373 PolarHBondContact CE1-O 2.88Å; H315-Q373 PolarHBondContact NE2-O 2.78Å; H315-G374 WeakPolarHBondContact NE2-CA 3.38Å; H315-G374 PolarHBondContact NE2-O 2.66Å
316	P	97	Very high	97.3	Very high	65 Å²	65	23.2 Å²	23.2	42%	0.422	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-7	-179.3	-28.8	37	0	0	0	117.2	F368 A370	P316-F368 HydrophobicContact CG-CB 4.43Å; P316-A370 HydrophobicContact CG-CB 4.3Å
317	D	96.1	Very high	97.3	Very high	37 Å²	37	21.1 Å²	21.1	20%	0.198	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-14	169	55.5	27.8	0	0	0	113.4	R270 H315 V319 R320	R270-D317 PolarHBondContact NE-O 2.86Å; R270-D317 PolarHBondContact NH2-O 2.89Å; H315-D317 IonicContact CE1-OD2 2.86Å; H315-D317 PolarHBondContact CE1-OD2 2.89Å; H315-D317 IonicContact CG-OD1 3.19Å; H315-D317 IonicContact CG-OD2 3.56Å; H315-D317 PolarHBondContact ND1-N 2.64Å; H315-D317 IonicContact ND1-OD1 2.79Å; H315-D317 PolarHBondContact ND1-OD1 2.95Å; H315-D317 IonicContact ND1-OD2 2.64Å; H315-D317 PolarHBondContact ND1-OD2 2.81Å; H315-D317 PolarHBondContact O-N 3.33Å; D317-V319 VanDerWaalsContact C-N 3.25Å; D317-V319 PolarHBondContact O-N 3.08Å; D317-V319 PolarHBondContact OD1-N 3.08Å; D317-R320 PolarHBondContact OD1-N 3.37Å; D317-R320 IonicContact OD2-CZ 3.73Å; D317-R320 IonicContact OD2-NE 2.79Å; D317-R320 PolarHBondContact OD2-NE 2.8Å; D317-R320 IonicContact OD2-NH2 3.49Å; D317-R320 PolarHBondContact OD2-NH2 2.83Å
318	G	95.9	Very high	97.2	Very high	15 Å²	15	21.2 Å²	21.2	16%	0.155	13%	0.126	C	C	.	.	S	Bend	trans	73.2	14	-176	0	0	0	0	0	114.2	L269 R270 H315	L269-G318 WeakPolarHBondContact CD2-O 3.36Å; R270-G318 WeakPolarHBondContact CB-O 3.41Å; R270-G318 PolarHBondContact N-O 2.94Å; H315-G318 PolarHBondContact O-N 2.83Å
319	V	96.6	Very high	96.9	Very high	18 Å²	18	25.3 Å²	25.3	11%	0.109	15%	0.15	C	C	.	.	S	Bend	trans	-126.4	-41.8	-176.8	-178.1	0	0	0	0	111.6	R270 D317 S345 E346	R270-V319 HydrophobicContact CB-CG2 4.14Å; D317-V319 VanDerWaalsContact C-N 3.25Å; D317-V319 PolarHBondContact O-N 3.08Å; D317-V319 PolarHBondContact OD1-N 3.08Å; V319-S345 WeakPolarHBondContact O-CB 3.14Å; V319-S345 PolarHBondContact O-N 2.91Å; V319-S345 PolarHBondContact O-OG 2.8Å; V319-E346 HydrophobicContact CG1-CG 4.06Å
320	R	98.1	Very high	96.5	Very high	88 Å²	88	27.5 Å²	27.5	33%	0.332	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	150.1	173.3	-78.5	175.3	-70.5	163	-8.4	111.3	H315 D317 W343 L351	H315-R320 HydrophobicContact CB-CB 3.6Å; H315-R320 WeakPolarHBondContact CB-O 3.37Å; H315-R320 PolarHBondContact CE1-NH2 2.98Å; H315-R320 PolarHBondContact N-O 2.81Å; H315-R320 PolarHBondContact ND1-NH2 3.18Å; H315-R320 PolarHBondContact NE2-NH2 2.83Å; D317-R320 PolarHBondContact OD1-N 3.37Å; D317-R320 IonicContact OD2-CZ 3.73Å; D317-R320 IonicContact OD2-NE 2.79Å; D317-R320 PolarHBondContact OD2-NE 2.8Å; D317-R320 IonicContact OD2-NH2 3.49Å; D317-R320 PolarHBondContact OD2-NH2 2.83Å; R320-W343 WeakPolarHBondContact CA-O 3.41Å; R320-L351 HydrophobicContact CG-CD1 3.85Å
321	V	98.6	Very high	96	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.8	-176.7	-177.5	0	0	0	0	109.5	L269 L312 I342 W343	L269-V321 HydrophobicContact CD2-CG2 3.97Å; L312-V321 HydrophobicContact CD1-CG1 3.37Å; L312-V321 HydrophobicContact CG-CG1 4.4Å; V321-I342 WeakPolarHBondContact O-CA 3.42Å; V321-W343 HydrophobicContact CB-CD2 4.06Å; V321-W343 HydrophobicContact CB-CE3 4.44Å; V321-W343 HydrophobicContact CB-CH2 4.12Å; V321-W343 HydrophobicContact CB-CZ2 3.71Å; V321-W343 HydrophobicContact CB-CZ3 4.47Å; V321-W343 HydrophobicContact CG1-CH2 4.15Å; V321-W343 HydrophobicContact CG1-CZ2 3.44Å; V321-W343 VanDerWaalsContact CG1-CZ2 3.44Å; V321-W343 HydrophobicContact CG2-CH2 4.19Å; V321-W343 HydrophobicContact CG2-CZ2 4.26Å; V321-W343 HydrophobicContact CG2-CZ3 4.45Å; V321-W343 PolarHBondContact N-O 2.9Å; V321-W343 PolarHBondContact O-N 2.77Å
322	A	98.6	Very high	95.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.1	166.7	0	0	0	0	0	109.7	L312 A313 V340 H341 I342 L366 F368 L377	L312-A322 CarbonylContact C-O 3.57Å; L312-A322 WeakPolarHBondContact CA-O 3.35Å; A313-A322 PolarHBondContact N-O 2.85Å; A313-A322 PolarHBondContact O-N 2.83Å; A322-V340 HydrophobicContact CB-CG1 4.13Å; A322-H341 VanDerWaalsContact CA-O 3.32Å; A322-H341 WeakPolarHBondContact CA-O 3.46Å; A322-I342 HydrophobicContact CB-CG1 4.4Å; A322-L366 HydrophobicContact CB-CD1 3.91Å; A322-L366 HydrophobicContact CB-CD2 4.31Å; A322-F368 HydrophobicContact CB-CE1 4.47Å; A322-F368 HydrophobicContact CB-CE2 3.51Å; A322-F368 HydrophobicContact CB-CZ 3.49Å; A322-F368 VanDerWaalsContact CB-CZ 3.49Å; A322-L377 HydrophobicContact CB-CD1 4.1Å
323	S	98.6	Very high	95	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.5	173.6	51.5	0	0	0	0	111	H305 C311 V340 H341 W343	H305-S323 PolarHBondContact CE1-O 3.28Å; H305-S323 PolarHBondContact NE2-O 2.73Å; H305-S323 PolarHBondContact NE2-OG 2.92Å; C311-S323 WeakPolarHBondContact O-CA 3.43Å; S323-V340 WeakPolarHBondContact O-CA 3.36Å; S323-H341 PolarHBondContact N-O 2.87Å; S323-H341 PolarHBondContact O-N 3.19Å; S323-W343 PolarHBondContact OG-NE1 2.81Å
324	G	98.1	Very high	94.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.1	-176.8	0	0	0	0	0	112.4	R310 C311 V339	R310-G324 PolarHBondContact N-O 3.1Å; C311-G324 PolarHBondContact O-N 3.38Å; G324-V339 WeakPolarHBondContact CA-O 3.45Å
325	Q	97	Very high	94.4	Very high	4 Å²	4	45 Å²	45	2%	0.019	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	163.1	178.2	64.8	-177.7	42.7	0	0	114	H305 T306 C308 Q337 V339 V363	H305-Q325 PolarHBondContact ND1-OE1 2.91Å; T306-Q325 VanDerWaalsContact N-OE1 3.08Å; T306-Q325 PolarHBondContact OG1-NE2 3.23Å; C308-Q325 CarbonylContact O-C 3.23Å; C308-Q325 VanDerWaalsContact O-CA 3.3Å; C308-Q325 WeakPolarHBondContact O-CA 3.47Å; Q325-Q337 PolarHBondContact NE2-O 2.91Å; Q325-V339 HydrophobicContact CG-CG1 3.93Å; Q325-V339 PolarHBondContact N-O 3.07Å; Q325-V339 VanDerWaalsContact N-O 3.08Å; Q325-V363 PolarHBondContact O-N 2.89Å
326	T	96.1	Very high	94.2	Very high	31 Å²	31	46.5 Å²	46.5	19%	0.19	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-69.7	164.2	165.2	-169.2	0	0	0	0	111.5	D307 C308 R361	D307-T326 HydrophobicContact CB-CG2 3.86Å; D307-T326 VanDerWaalsContact CG-CG2 3.44Å; D307-T326 WeakPolarHBondContact OD1-CG2 3.46Å; C308-T326 HydrophobicContact CB-CG2 3.74Å; C308-T326 PolarHBondContact O-N 3.38Å; T326-R361 PolarHBondContact OG1-O 2.91Å
327	A	95.5	Very high	94.1	Very high	33 Å²	33	46.9 Å²	46.9	27%	0.273	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-80.2	154.6	156.6	0	0	0	0	0	110	L336 P338 R361	A327-L336 WeakPolarHBondContact CA-O 3.1Å; A327-P338 HydrophobicContact CB-CB 4.26Å; A327-P338 HydrophobicContact CB-CG 4.16Å; A327-R361 VanDerWaalsContact CB-O 3.3Å; A327-R361 WeakPolarHBondContact CB-O 3.39Å; A327-R361 PolarHBondContact N-O 3Å
328	G	92.9	Very high	94.1	Very high	25 Å²	25	45.3 Å²	45.3	26%	0.258	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	-148.2	177.1	0	0	0	0	0	112.4	D307 P335 L336	D307-G328 VanDerWaalsContact OD2-CA 3.29Å; D307-G328 WeakPolarHBondContact OD2-CA 3.18Å; G328-P335 CarbonylContact O-C 3.09Å; G328-P335 WeakPolarHBondContact O-CA 3.24Å; G328-L336 PolarHBondContact N-O 2.94Å; G328-L336 VanDerWaalsContact N-O 3.14Å; G328-L336 PolarHBondContact O-N 3.01Å
329	V	92.1	Very high	94.2	Very high	99 Å²	99	44.8 Å²	44.8	60%	0.6	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.4	-176.6	-68.7	0	0	0	0	113.1	K334	V329-K334 CarbonylContact C-O 3.57Å; V329-K334 VanDerWaalsContact CA-O 3.29Å; V329-K334 WeakPolarHBondContact CA-O 3.43Å
330	D	88.9	Confident	94.3	Very high	46 Å²	46	44 Å²	44	25%	0.246	25%	0.248	C	C	.	.			trans	-81.4	172.4	166.5	82.1	1.9	0	0	0	111.7	D332 G333 K334 L336	D330-D332 PolarHBondContact O-N 2.8Å; D330-D332 VanDerWaalsContact O-N 3.15Å; D330-D332 WeakPolarHBondContact OD1-CA 3.49Å; D330-D332 WeakPolarHBondContact OD1-CB 3.37Å; D330-D332 PolarHBondContact OD1-N 2.85Å; D330-G333 WeakPolarHBondContact O-CA 3.36Å; D330-G333 PolarHBondContact O-N 2.93Å; D330-G333 PolarHBondContact OD1-N 2.88Å; D330-G333 VanDerWaalsContact OD1-N 3.11Å; D330-K334 PolarHBondContact N-O 2.94Å; D330-K334 WeakPolarHBondContact OD1-CB 3.3Å; D330-K334 PolarHBondContact OD1-N 2.89Å; D330-K334 IonicContact OD1-NZ 2.66Å; D330-K334 IonicContact OD2-NZ 2.68Å; D330-K334 PolarHBondContact OD2-NZ 2.94Å; D330-L336 HydrophobicContact CB-CD2 4.24Å
331	K	85.5	Confident	94.3	Very high	129 Å²	129	40 Å²	40	56%	0.561	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.3	177.5	59.2	146.7	-164.6	151.7	0	115.4	G333 F816	K331-G333 VanDerWaalsContact C-N 3.34Å; K331-F816 HydrophobicContact CB-CB 4.05Å; K331-F816 HydrophobicContact CB-CD1 3.5Å; K331-F816 VanDerWaalsContact CB-CD1 3.5Å; K331-F816 HydrophobicContact CB-CD2 3.87Å; K331-F816 HydrophobicContact CB-CE1 3.85Å; K331-F816 HydrophobicContact CB-CE2 4.19Å; K331-F816 HydrophobicContact CB-CG 3.5Å; K331-F816 HydrophobicContact CB-CZ 4.19Å
332	D	87.5	Confident	94.3	Very high	96 Å²	96	40.4 Å²	40.4	51%	0.513	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	6.8	176.4	-53.2	-19.5	0	0	0	110.6	D330 K334	D330-D332 PolarHBondContact O-N 2.8Å; D330-D332 VanDerWaalsContact O-N 3.15Å; D330-D332 WeakPolarHBondContact OD1-CA 3.49Å; D330-D332 WeakPolarHBondContact OD1-CB 3.37Å; D330-D332 PolarHBondContact OD1-N 2.85Å; D332-K334 HydrophobicContact CB-CG 4.28Å; D332-K334 IonicContact OD2-NZ 3.41Å; D332-K334 PolarHBondContact OD2-NZ 3.31Å
333	G	87.1	Confident	94.3	Very high	54 Å²	54	40.4 Å²	40.4	56%	0.557	24%	0.235	S	C	*	.	S	Bend	trans	78.6	11.4	-178.5	0	0	0	0	0	115	D330 K331	D330-G333 WeakPolarHBondContact O-CA 3.36Å; D330-G333 PolarHBondContact O-N 2.93Å; D330-G333 PolarHBondContact OD1-N 2.88Å; D330-G333 VanDerWaalsContact OD1-N 3.11Å; K331-G333 VanDerWaalsContact C-N 3.34Å
334	K	92.2	Very high	94.3	Very high	104 Å²	104	41.6 Å²	41.6	45%	0.452	24%	0.242	S	C	.	.			trans	-80.3	141.1	-178.5	-50.6	-172.8	-145.8	87.4	0	110.7	V329 D330 D332 L336	V329-K334 CarbonylContact C-O 3.57Å; V329-K334 VanDerWaalsContact CA-O 3.29Å; V329-K334 WeakPolarHBondContact CA-O 3.43Å; D330-K334 PolarHBondContact N-O 2.94Å; D330-K334 WeakPolarHBondContact OD1-CB 3.3Å; D330-K334 PolarHBondContact OD1-N 2.89Å; D330-K334 IonicContact OD1-NZ 2.66Å; D330-K334 IonicContact OD2-NZ 2.68Å; D330-K334 PolarHBondContact OD2-NZ 2.94Å; D332-K334 HydrophobicContact CB-CG 4.28Å; D332-K334 IonicContact OD2-NZ 3.41Å; D332-K334 PolarHBondContact OD2-NZ 3.31Å; K334-L336 PolarHBondContact O-N 2.83Å
335	P	92.4	Very high	94.3	Very high	93 Å²	93	41.7 Å²	41.7	60%	0.604	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	113.2	-175.2	28.7	-35	0	0	0	112.4	G328 Q337	G328-P335 CarbonylContact O-C 3.09Å; G328-P335 WeakPolarHBondContact O-CA 3.24Å; P335-Q337 PolarHBondContact O-N 3.16Å; P335-Q337 PolarHBondContact O-NE2 3.04Å
336	L	93.3	Very high	94.2	Very high	39 Å²	39	47.3 Å²	47.3	20%	0.204	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	123.1	167.8	-63.9	177	0	0	0	108.8	D307 A327 G328 D330 K334	D307-L336 HydrophobicContact CB-CD1 4.43Å; A327-L336 WeakPolarHBondContact CA-O 3.1Å; G328-L336 PolarHBondContact N-O 2.94Å; G328-L336 VanDerWaalsContact N-O 3.14Å; G328-L336 PolarHBondContact O-N 3.01Å; D330-L336 HydrophobicContact CB-CD2 4.24Å; K334-L336 PolarHBondContact O-N 2.83Å
337	Q	94.8	Very high	94.1	Very high	74 Å²	74	49.9 Å²	49.9	35%	0.346	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-77	142.8	-174.8	-61.8	-57.1	-64	0	0	111.5	Q325 P335 L356	Q325-Q337 PolarHBondContact NE2-O 2.91Å; P335-Q337 PolarHBondContact O-N 3.16Å; P335-Q337 PolarHBondContact O-NE2 3.04Å; Q337-L356 HydrophobicContact CB-CD1 3.8Å; Q337-L356 HydrophobicContact CG-CD1 4.25Å
338	P	97.3	Very high	94.2	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.026	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-70	135.4	166.6	32.9	-33.2	0	0	0	108.7	A327 F359	A327-P338 HydrophobicContact CB-CB 4.26Å; A327-P338 HydrophobicContact CB-CG 4.16Å; P338-F359 HydrophobicContact CB-CB 4.32Å; P338-F359 HydrophobicContact CG-CB 3.99Å; P338-F359 WeakPolarHBondContact CG-O 3.42Å
339	V	97.8	Very high	94.4	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.024	30%	0.298	C	S	.	.			trans	-155.8	154.8	-173.7	75	0	0	0	0	110.3	G324 Q325 E353 I354 L356	G324-V339 WeakPolarHBondContact CA-O 3.45Å; Q325-V339 HydrophobicContact CG-CG1 3.93Å; Q325-V339 PolarHBondContact N-O 3.07Å; Q325-V339 VanDerWaalsContact N-O 3.08Å; V339-E353 HydrophobicContact CG2-CG 3.38Å; V339-I354 VanDerWaalsContact CG2-O 3.28Å; V339-I354 WeakPolarHBondContact CG2-O 3.45Å; V339-L356 HydrophobicContact CB-CD1 4.48Å; V339-L356 HydrophobicContact CG2-CB 4.12Å; V339-L356 HydrophobicContact CG2-CD1 4.27Å
340	V	98.6	Very high	94.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.5	168.4	174.7	0	0	0	0	109.8	A322 S323 I354 F359 V363 L366 L377 V379	A322-V340 HydrophobicContact CB-CG1 4.13Å; S323-V340 WeakPolarHBondContact O-CA 3.36Å; V340-I354 HydrophobicContact CB-CB 4.12Å; V340-I354 PolarHBondContact N-O 3.46Å; V340-I354 PolarHBondContact O-N 3.41Å; V340-F359 HydrophobicContact CG2-CE2 4.07Å; V340-V363 HydrophobicContact CG2-CB 4.29Å; V340-V363 HydrophobicContact CG2-CG1 3.71Å; V340-V363 HydrophobicContact CG2-CG2 3.87Å; V340-L366 HydrophobicContact CB-CD2 4.34Å; V340-L366 HydrophobicContact CG1-CD2 3.74Å; V340-L366 HydrophobicContact CG2-CD2 3.58Å; V340-L377 HydrophobicContact CG1-CD2 4.03Å; V340-V379 HydrophobicContact CG2-CG1 4.45Å
341	H	98.5	Very high	95.1	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.028	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130	168.2	-65.4	147.6	0	0	0	109.7	Y302 G304 H305 A322 S323 K350 E353	Y302-H341 HydrophobicContact CE1-CB 4.25Å; Y302-H341 WeakPolarHBondContact OH-CB 3.27Å; Y302-H341 PolarHBondContact OH-ND1 2.89Å; G304-H341 PolarHBondContact O-CE1 2.99Å; H305-H341 AromaticContact CD2-ND1 3.73Å; H305-H341 AromaticContact CE1-CE1 3.81Å; H305-H341 AromaticContact CE1-CG 3.66Å; H305-H341 AromaticContact CE1-ND1 3.04Å; H305-H341 PolarHBondContact CE1-ND1 3.42Å; H305-H341 AromaticContact CG-ND1 3.62Å; H305-H341 AromaticContact ND1-CE1 3.54Å; H305-H341 AromaticContact ND1-ND1 3.17Å; H305-H341 PolarHBondContact ND1-ND1 3.41Å; H305-H341 VanDerWaalsContact ND1-ND1 3.17Å; H305-H341 AromaticContact NE2-CG 3.97Å; H305-H341 AromaticContact NE2-ND1 3.35Å; H305-H341 PolarHBondContact NE2-ND1 3.14Å; A322-H341 VanDerWaalsContact CA-O 3.32Å; A322-H341 WeakPolarHBondContact CA-O 3.46Å; S323-H341 PolarHBondContact N-O 2.87Å; S323-H341 PolarHBondContact O-N 3.19Å; H341-K350 HydrophobicContact CB-CD 4.1Å; H341-K350 WeakPolarHBondContact CD2-CD 3.31Å; H341-K350 PolarHBondContact CD2-NZ 2.83Å; H341-K350 PolarHBondContact NE2-NZ 3Å; H341-E353 IonicContact NE2-OE2 3.99Å
342	I	98.5	Very high	95.6	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.036	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.6	161.9	-55.1	176.4	0	0	0	107.1	V321 A322 L351 Q352 I354 F368 C393	V321-I342 WeakPolarHBondContact O-CA 3.42Å; A322-I342 HydrophobicContact CB-CG1 4.4Å; I342-L351 PolarHBondContact O-N 3.47Å; I342-Q352 HydrophobicContact CB-CB 4.24Å; I342-Q352 PolarHBondContact N-O 3.22Å; I342-Q352 PolarHBondContact O-N 3.24Å; I342-I354 HydrophobicContact CD1-CD1 4.07Å; I342-I354 HydrophobicContact CD1-CG1 3.84Å; I342-I354 HydrophobicContact CG1-CG1 4.11Å; I342-F368 HydrophobicContact CD1-CE1 4.31Å; I342-F368 HydrophobicContact CG2-CZ 4.45Å; I342-C393 HydrophobicContact CD1-CB 4.08Å
343	W	98.5	Very high	96	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	161.5	-174.7	53.2	-81.8	0	0	0	111.7	V282 L284 Y302 R320 V321 S323 L348 L349	V282-W343 HydrophobicContact CB-CH2 4.24Å; V282-W343 HydrophobicContact CB-CZ2 3.83Å; V282-W343 HydrophobicContact CG1-CH2 4.14Å; V282-W343 HydrophobicContact CG1-CZ2 3.82Å; V282-W343 HydrophobicContact CG2-CZ2 4.04Å; L284-W343 HydrophobicContact CD1-CH2 3.92Å; L284-W343 HydrophobicContact CD1-CZ3 4.06Å; L284-W343 HydrophobicContact CD2-CH2 4.32Å; L284-W343 HydrophobicContact CD2-CZ3 4.12Å; L284-W343 HydrophobicContact CG-CH2 4.33Å; Y302-W343 AromaticContact CD1-CD1 3.92Å; Y302-W343 AromaticContact CD1-CD2 3.89Å; Y302-W343 HydrophobicContact CD1-CD2 3.89Å; Y302-W343 AromaticContact CD1-CE2 3.57Å; Y302-W343 HydrophobicContact CD1-CG 4.11Å; Y302-W343 HydrophobicContact CD1-CZ2 4.02Å; Y302-W343 AromaticContact CD1-NE1 3.58Å; Y302-W343 HydrophobicContact CD2-CB 4.14Å; Y302-W343 AromaticContact CD2-CD2 3.67Å; Y302-W343 HydrophobicContact CD2-CD2 3.67Å; Y302-W343 AromaticContact CD2-CE3 3.8Å; Y302-W343 HydrophobicContact CD2-CE3 3.8Å; Y302-W343 AromaticContact CD2-CG 3.84Å; Y302-W343 HydrophobicContact CD2-CG 3.84Å; Y302-W343 HydrophobicContact CD2-CZ3 4.45Å; Y302-W343 AromaticContact CE1-CD1 3.56Å; Y302-W343 HydrophobicContact CE1-CD2 4.22Å; Y302-W343 AromaticContact CE1-CG 3.93Å; Y302-W343 HydrophobicContact CE1-CG 3.93Å; Y302-W343 AromaticContact CE1-NE1 3.63Å; Y302-W343 HydrophobicContact CE2-CB 3.66Å; Y302-W343 HydrophobicContact CE2-CD2 4.03Å; Y302-W343 HydrophobicContact CE2-CE3 4.49Å; Y302-W343 AromaticContact CE2-CG 3.67Å; Y302-W343 HydrophobicContact CE2-CG 3.67Å; Y302-W343 AromaticContact CG-CD2 3.59Å; Y302-W343 HydrophobicContact CG-CD2 3.59Å; Y302-W343 AromaticContact CG-CE2 3.66Å; Y302-W343 AromaticContact CG-CE3 3.83Å; Y302-W343 HydrophobicContact CG-CE3 3.83Å; Y302-W343 HydrophobicContact CG-CG 4.06Å; Y302-W343 HydrophobicContact CG-CH2 4.23Å; Y302-W343 AromaticContact CG-CZ2 3.99Å; Y302-W343 HydrophobicContact CG-CZ2 3.99Å; Y302-W343 HydrophobicContact CG-CZ3 4.14Å; Y302-W343 AromaticContact CZ-CD1 3.67Å; Y302-W343 AromaticContact CZ-CG 3.71Å; R320-W343 WeakPolarHBondContact CA-O 3.41Å; V321-W343 HydrophobicContact CB-CD2 4.06Å; V321-W343 HydrophobicContact CB-CE3 4.44Å; V321-W343 HydrophobicContact CB-CH2 4.12Å; V321-W343 HydrophobicContact CB-CZ2 3.71Å; V321-W343 HydrophobicContact CB-CZ3 4.47Å; V321-W343 HydrophobicContact CG1-CH2 4.15Å; V321-W343 HydrophobicContact CG1-CZ2 3.44Å; V321-W343 VanDerWaalsContact CG1-CZ2 3.44Å; V321-W343 HydrophobicContact CG2-CH2 4.19Å; V321-W343 HydrophobicContact CG2-CZ2 4.26Å; V321-W343 HydrophobicContact CG2-CZ3 4.45Å; V321-W343 PolarHBondContact N-O 2.9Å; V321-W343 PolarHBondContact O-N 2.77Å; S323-W343 PolarHBondContact OG-NE1 2.81Å; W343-L348 HydrophobicContact CE3-CD2 4.48Å; W343-L348 HydrophobicContact CZ3-CD2 3.96Å; W343-L349 VanDerWaalsContact CA-O 3.28Å; W343-L349 WeakPolarHBondContact CA-O 3.15Å; W343-L349 VanDerWaalsContact CB-O 3.27Å; W343-L349 WeakPolarHBondContact CB-O 3.37Å
344	D	98	Very high	96.5	Very high	26 Å²	26	49.6 Å²	49.6	14%	0.139	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.9	179.4	176.6	-105	0	0	0	110.9	E346 T347 L348 L349 L351	D344-E346 PolarHBondContact OD1-N 3.36Å; D344-T347 WeakPolarHBondContact CB-OG1 3.29Å; D344-T347 WeakPolarHBondContact OD1-CB 3.42Å; D344-T347 WeakPolarHBondContact OD1-CG2 3.47Å; D344-T347 PolarHBondContact OD1-N 2.66Å; D344-T347 PolarHBondContact OD1-OG1 3.23Å; D344-L348 WeakPolarHBondContact O-CA 3.44Å; D344-L348 PolarHBondContact O-N 2.91Å; D344-L349 PolarHBondContact N-O 3.43Å; D344-L351 HydrophobicContact CB-CD1 4.1Å; D344-L351 HydrophobicContact CB-CD2 4.21Å; D344-L351 HydrophobicContact CB-CG 4.2Å
345	S	97.1	Very high	96.5	Very high	2 Å²	2	45 Å²	45	1%	0.014	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-20.8	-174.7	63.6	0	0	0	0	114.4	L269 R300 V319 L348	L269-S345 VanDerWaalsContact CD1-CB 3.5Å; R300-S345 VanDerWaalsContact CZ-O 3.3Å; R300-S345 PolarHBondContact NH1-O 3.12Å; R300-S345 PolarHBondContact NH2-O 2.85Å; V319-S345 WeakPolarHBondContact O-CB 3.14Å; V319-S345 PolarHBondContact O-N 2.91Å; V319-S345 PolarHBondContact O-OG 2.8Å; S345-L348 WeakPolarHBondContact O-CD2 3.48Å
346	E	94.9	Very high	96.5	Very high	122 Å²	122	45.7 Å²	45.7	57%	0.57	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-51.4	178.6	-68.8	178.8	-167.5	0	0	110.3	R300 V319 D344	R300-E346 PolarHBondContact NH1-O 3.03Å; V319-E346 HydrophobicContact CG1-CG 4.06Å; D344-E346 PolarHBondContact OD1-N 3.36Å
347	T	95.9	Very high	96.4	Very high	84 Å²	84	46.5 Å²	46.5	52%	0.515	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-16.4	-178.6	63.5	0	0	0	0	114.8	D344 L349	D344-T347 WeakPolarHBondContact CB-OG1 3.29Å; D344-T347 WeakPolarHBondContact OD1-CB 3.42Å; D344-T347 WeakPolarHBondContact OD1-CG2 3.47Å; D344-T347 PolarHBondContact OD1-N 2.66Å; D344-T347 PolarHBondContact OD1-OG1 3.23Å; T347-L349 PolarHBondContact O-N 2.82Å; T347-L349 PolarHBondContact OG1-N 2.86Å
348	L	96.8	Very high	96.4	Very high	48 Å²	48	44.6 Å²	44.6	25%	0.251	25%	0.248	S	C	.	.			trans	61.1	16.9	-172.8	-51.5	177.5	0	0	0	114.7	L284 R300 Y302 W343 D344 S345	L284-L348 HydrophobicContact CD1-CD2 3.74Å; L284-L348 HydrophobicContact CD2-CD2 3.97Å; R300-L348 HydrophobicContact CB-CD1 4.17Å; Y302-L348 WeakPolarHBondContact CD2-O 3.3Å; W343-L348 HydrophobicContact CE3-CD2 4.48Å; W343-L348 HydrophobicContact CZ3-CD2 3.96Å; D344-L348 WeakPolarHBondContact O-CA 3.44Å; D344-L348 PolarHBondContact O-N 2.91Å; S345-L348 WeakPolarHBondContact O-CD2 3.48Å
349	L	97.4	Very high	96.4	Very high	111 Å²	111	44.9 Å²	44.9	58%	0.581	25%	0.248	S	C	*	.			trans	-83.7	137.1	179.8	-63.2	176.9	0	0	0	111.7	W343 D344 T347 L351	W343-L349 VanDerWaalsContact CA-O 3.28Å; W343-L349 WeakPolarHBondContact CA-O 3.15Å; W343-L349 VanDerWaalsContact CB-O 3.27Å; W343-L349 WeakPolarHBondContact CB-O 3.37Å; D344-L349 PolarHBondContact N-O 3.43Å; T347-L349 PolarHBondContact O-N 2.82Å; T347-L349 PolarHBondContact OG1-N 2.86Å; L349-L351 PolarHBondContact O-N 3.35Å
350	K	97.7	Very high	96.3	Very high	93 Å²	93	50.4 Å²	50.4	40%	0.404	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	119.9	167.9	178.6	161	61.9	173.7	0	109.3	H341 E353	H341-K350 HydrophobicContact CB-CD 4.1Å; H341-K350 WeakPolarHBondContact CD2-CD 3.31Å; H341-K350 PolarHBondContact CD2-NZ 2.83Å; H341-K350 PolarHBondContact NE2-NZ 3Å; K350-E353 IonicContact NZ-OE2 3.36Å; K350-E353 PolarHBondContact NZ-OE2 2.57Å
351	L	97	Very high	96.1	Very high	94 Å²	94	57.4 Å²	57.4	49%	0.492	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-43.9	179	-59.1	-180	0	0	0	111.6	R320 I342 D344 L349	R320-L351 HydrophobicContact CG-CD1 3.85Å; I342-L351 PolarHBondContact O-N 3.47Å; D344-L351 HydrophobicContact CB-CD1 4.1Å; D344-L351 HydrophobicContact CB-CD2 4.21Å; D344-L351 HydrophobicContact CB-CG 4.2Å; L349-L351 PolarHBondContact O-N 3.35Å
352	Q	96.6	Very high	96	Very high	64 Å²	64	57.1 Å²	57.1	30%	0.299	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	150.4	-175.7	-177.2	60.4	53.7	0	0	111	I342 I354	I342-Q352 HydrophobicContact CB-CB 4.24Å; I342-Q352 PolarHBondContact N-O 3.22Å; I342-Q352 PolarHBondContact O-N 3.24Å; Q352-I354 HydrophobicContact CG-CD1 3.57Å; Q352-I354 HydrophobicContact CG-CG1 4.3Å
353	E	96.1	Very high	96	Very high	66 Å²	66	56.8 Å²	56.8	31%	0.308	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.7	171.8	-169.1	168.9	117.2	0	0	109.4	V339 H341 K350	V339-E353 HydrophobicContact CG2-CG 3.38Å; H341-E353 IonicContact NE2-OE2 3.99Å; K350-E353 IonicContact NZ-OE2 3.36Å; K350-E353 PolarHBondContact NZ-OE2 2.57Å
354	I	96.6	Very high	95.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.7	-172.8	-53.2	-67	0	0	0	109.2	V339 V340 I342 Q352 F359 W391	V339-I354 VanDerWaalsContact CG2-O 3.28Å; V339-I354 WeakPolarHBondContact CG2-O 3.45Å; V340-I354 HydrophobicContact CB-CB 4.12Å; V340-I354 PolarHBondContact N-O 3.46Å; V340-I354 PolarHBondContact O-N 3.41Å; I342-I354 HydrophobicContact CD1-CD1 4.07Å; I342-I354 HydrophobicContact CD1-CG1 3.84Å; I342-I354 HydrophobicContact CG1-CG1 4.11Å; Q352-I354 HydrophobicContact CG-CD1 3.57Å; Q352-I354 HydrophobicContact CG-CG1 4.3Å; I354-F359 HydrophobicContact CG2-CZ 4.47Å; I354-F359 WeakPolarHBondContact O-CE2 3.38Å; I354-W391 HydrophobicContact CG2-CB 4.11Å; I354-W391 HydrophobicContact CG2-CD2 3.47Å; I354-W391 VanDerWaalsContact CG2-CD2 3.47Å; I354-W391 HydrophobicContact CG2-CE3 3.6Å; I354-W391 HydrophobicContact CG2-CG 3.69Å; I354-W391 HydrophobicContact CG2-CZ3 4.22Å
355	G	92.6	Very high	95.8	Very high	8 Å²	8	57 Å²	57	8%	0.082	31%	0.305	C	S	.	.			trans	72.5	24.6	167.7	0	0	0	0	0	117.1	G357 A358 F359	G355-G357 PolarHBondContact O-N 2.65Å; G355-G357 VanDerWaalsContact O-N 3.12Å; G355-A358 WeakPolarHBondContact O-CB 3.13Å; G355-A358 PolarHBondContact O-N 2.82Å; G355-F359 WeakPolarHBondContact O-CD2 3.42Å
356	L	92.3	Very high	95.9	Very high	107 Å²	107	57.5 Å²	57.5	56%	0.56	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	117.5	171.3	-174.6	73.2	0	0	0	110.3	Q337 V339 A358	Q337-L356 HydrophobicContact CB-CD1 3.8Å; Q337-L356 HydrophobicContact CG-CD1 4.25Å; V339-L356 HydrophobicContact CB-CD1 4.48Å; V339-L356 HydrophobicContact CG2-CB 4.12Å; V339-L356 HydrophobicContact CG2-CD1 4.27Å; L356-A358 PolarHBondContact O-N 2.8Å
357	G	91.6	Very high	96	Very high	56 Å²	56	52.4 Å²	52.4	58%	0.577	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	12.7	-176.3	0	0	0	0	0	115.2	G355	G355-G357 PolarHBondContact O-N 2.65Å; G355-G357 VanDerWaalsContact O-N 3.12Å
358	A	94.3	Very high	96.2	Very high	35 Å²	35	49.3 Å²	49.3	29%	0.289	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-14.3	178.5	0	0	0	0	0	114.3	G355 L356 W391	G355-A358 WeakPolarHBondContact O-CB 3.13Å; G355-A358 PolarHBondContact O-N 2.82Å; L356-A358 PolarHBondContact O-N 2.8Å; A358-W391 HydrophobicContact CB-CH2 3.75Å; A358-W391 HydrophobicContact CB-CZ2 4.04Å
359	F	96.9	Very high	96.2	Very high	9 Å²	9	47 Å²	47	4%	0.039	25%	0.253	C	S	.	.	S	Bend	trans	-105.9	151.1	173.5	-51	-54.7	0	0	0	110.2	P338 V340 I354 G355 V363 V379 D381 W391	P338-F359 HydrophobicContact CB-CB 4.32Å; P338-F359 HydrophobicContact CG-CB 3.99Å; P338-F359 WeakPolarHBondContact CG-O 3.42Å; V340-F359 HydrophobicContact CG2-CE2 4.07Å; I354-F359 HydrophobicContact CG2-CZ 4.47Å; I354-F359 WeakPolarHBondContact O-CE2 3.38Å; G355-F359 WeakPolarHBondContact O-CD2 3.42Å; F359-V363 HydrophobicContact CD2-CG2 3.83Å; F359-V363 HydrophobicContact CE2-CG2 4.22Å; F359-V363 HydrophobicContact CG-CG2 4.41Å; F359-V379 HydrophobicContact CD1-CG1 4.31Å; F359-V379 HydrophobicContact CE1-CB 4.03Å; F359-V379 HydrophobicContact CE1-CG1 3.64Å; F359-V379 HydrophobicContact CE2-CG1 4.39Å; F359-V379 HydrophobicContact CZ-CB 4.11Å; F359-V379 HydrophobicContact CZ-CG1 3.69Å; F359-V379 HydrophobicContact CZ-CG2 4.23Å; F359-D381 HydrophobicContact CB-CB 4.04Å; F359-D381 HydrophobicContact CD1-CB 4.33Å; F359-W391 AromaticContact CE1-CZ2 3.78Å; F359-W391 HydrophobicContact CE1-CZ2 3.78Å; F359-W391 AromaticContact CE1-NE1 3.75Å; F359-W391 AromaticContact CZ-CE2 3.89Å; F359-W391 AromaticContact CZ-CZ2 3.8Å; F359-W391 HydrophobicContact CZ-CZ2 3.8Å; F359-W391 AromaticContact CZ-NE1 3.8Å
360	E	95.6	Very high	96.1	Very high	121 Å²	121	44 Å²	44	57%	0.565	24%	0.244	S	C	*	.	S	Bend	trans	-107	147.2	169.8	-57.9	-171.5	162.3	0	0	112.4	G362 D381 S383	E360-G362 PolarHBondContact O-N 2.7Å; E360-D381 PolarHBondContact N-OD2 2.8Å; E360-S383 PolarHBondContact O-N 2.77Å
361	R	95.6	Very high	95.9	Very high	146 Å²	146	41.6 Å²	41.6	55%	0.551	24%	0.242	S	C	*	.	S	Bend	trans	62.9	-33	172	-57.7	179.8	57.8	-159.5	-13.4	117.1	T326 A327 D382 N384	T326-R361 PolarHBondContact OG1-O 2.91Å; A327-R361 VanDerWaalsContact CB-O 3.3Å; A327-R361 WeakPolarHBondContact CB-O 3.39Å; A327-R361 PolarHBondContact N-O 3Å; R361-D382 HydrophobicContact CB-CB 4.39Å; R361-D382 WeakPolarHBondContact CD-O 3.49Å; R361-N384 PolarHBondContact NH1-OD1 2.8Å
362	G	96.7	Very high	95.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	163.8	163.5	-177.8	0	0	0	0	0	112	E360 D381 D382	E360-G362 PolarHBondContact O-N 2.7Å; G362-D381 CarbonylContact O-C 3.59Å; G362-D381 WeakPolarHBondContact O-CA 3.5Å; G362-D381 WeakPolarHBondContact O-CB 3.16Å; G362-D382 PolarHBondContact O-N 2.96Å
363	V	97.7	Very high	95.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	106.7	173.6	-168.4	0	0	0	0	109.3	R310 C311 Q325 V340 F359 L366 V379	R310-V363 WeakPolarHBondContact CB-O 2.92Å; C311-V363 VanDerWaalsContact SG-CG1 3.59Å; C311-V363 PolarHBondContact SG-O 2.8Å; Q325-V363 PolarHBondContact O-N 2.89Å; V340-V363 HydrophobicContact CG2-CB 4.29Å; V340-V363 HydrophobicContact CG2-CG1 3.71Å; V340-V363 HydrophobicContact CG2-CG2 3.87Å; F359-V363 HydrophobicContact CD2-CG2 3.83Å; F359-V363 HydrophobicContact CE2-CG2 4.22Å; F359-V363 HydrophobicContact CG-CG2 4.41Å; V363-L366 HydrophobicContact CG1-CD2 4.29Å; V363-V379 HydrophobicContact CG1-CG1 3.43Å; V363-V379 VanDerWaalsContact CG1-CG1 3.43Å
364	G	95.9	Very high	95.7	Very high	21 Å²	21	41 Å²	41	22%	0.216	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-41.3	-172.3	0	0	0	0	0	114.2	V380	G364-V380 WeakPolarHBondContact CA-O 3.42Å; G364-V380 PolarHBondContact N-O 2.87Å
365	A	97.3	Very high	95.6	Very high	11 Å²	11	43.1 Å²	43.1	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	152.3	176.7	0	0	0	0	0	112	V380 V412	A365-V380 PolarHBondContact N-O 2.94Å; A365-V380 PolarHBondContact O-N 2.73Å; A365-V412 HydrophobicContact CB-CG1 3.79Å
366	L	98.1	Very high	95.8	Very high	12 Å²	12	45 Å²	45	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	157.8	176.4	55.5	75	0	0	0	112.2	C311 A313 A322 V340 V363 L377 C378 V379	C311-L366 HydrophobicContact CB-CG 4.45Å; A313-L366 HydrophobicContact CB-CD1 3.43Å; A313-L366 VanDerWaalsContact CB-CD1 3.43Å; A322-L366 HydrophobicContact CB-CD1 3.91Å; A322-L366 HydrophobicContact CB-CD2 4.31Å; V340-L366 HydrophobicContact CB-CD2 4.34Å; V340-L366 HydrophobicContact CG1-CD2 3.74Å; V340-L366 HydrophobicContact CG2-CD2 3.58Å; V363-L366 HydrophobicContact CG1-CD2 4.29Å; L366-L377 HydrophobicContact CB-CD1 4.41Å; L366-L377 HydrophobicContact CD1-CD1 4.44Å; L366-C378 CarbonylContact C-O 3.56Å; L366-C378 WeakPolarHBondContact CA-O 3.38Å; L366-C378 WeakPolarHBondContact CB-O 3.5Å; L366-V379 HydrophobicContact CB-CG2 4.15Å
367	A	98.2	Very high	96.1	Very high	15 Å²	15	39.9 Å²	39.9	12%	0.124	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	148.5	174.3	0	0	0	0	0	112.5	L377 C378 F414	A367-L377 WeakPolarHBondContact O-CA 3.41Å; A367-L377 WeakPolarHBondContact O-CD1 3.46Å; A367-C378 PolarHBondContact N-O 2.8Å; A367-C378 PolarHBondContact O-N 2.92Å; A367-C378 PolarHBondContact O-SG 3.49Å; A367-F414 WeakPolarHBondContact O-CE2 3.29Å
368	F	98.4	Very high	96.4	Very high	18 Å²	18	37.2 Å²	37.2	8%	0.079	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	151.6	174.6	-72.8	-75.4	0	0	0	112.5	A313 H315 P316 A322 I342 A370 F376 L377 F414	A313-F368 HydrophobicContact CB-CD2 4.31Å; H315-F368 VanDerWaalsContact CA-CD2 3.48Å; H315-F368 HydrophobicContact CB-CD2 4.02Å; H315-F368 HydrophobicContact CB-CE2 3.79Å; H315-F368 HydrophobicContact CB-CG 4.48Å; H315-F368 HydrophobicContact CB-CZ 4.08Å; H315-F368 AromaticContact CD2-CD1 3.69Å; H315-F368 AromaticContact CD2-CE1 3.62Å; H315-F368 AromaticContact CD2-CZ 3.93Å; P316-F368 HydrophobicContact CG-CB 4.43Å; A322-F368 HydrophobicContact CB-CE1 4.47Å; A322-F368 HydrophobicContact CB-CE2 3.51Å; A322-F368 HydrophobicContact CB-CZ 3.49Å; A322-F368 VanDerWaalsContact CB-CZ 3.49Å; I342-F368 HydrophobicContact CD1-CE1 4.31Å; I342-F368 HydrophobicContact CG2-CZ 4.45Å; F368-A370 PolarHBondContact O-N 2.9Å; F368-F376 CarbonylContact C-O 3.51Å; F368-F376 WeakPolarHBondContact CA-O 3.5Å; F368-L377 HydrophobicContact CD1-CB 4.46Å; F368-L377 HydrophobicContact CD1-CD1 3.77Å; F368-L377 HydrophobicContact CD2-CD1 4.28Å; F368-L377 HydrophobicContact CE1-CD1 3.83Å; F368-L377 HydrophobicContact CE2-CD1 4.36Å; F368-L377 HydrophobicContact CG-CD1 4.01Å; F368-L377 HydrophobicContact CZ-CD1 4.16Å; F368-F414 WeakPolarHBondContact O-CD2 3.2Å
369	S	97.4	Very high	96.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.			trans	-83.4	101.3	177.7	66	0	0	0	0	112.4	A371 D372 G374 F376 F414	S369-A371 VanDerWaalsContact C-N 3.3Å; S369-A371 PolarHBondContact O-N 2.72Å; S369-D372 WeakPolarHBondContact CB-OD2 2.92Å; S369-D372 PolarHBondContact O-N 2.93Å; S369-D372 PolarHBondContact OG-OD2 3.42Å; S369-G374 VanDerWaalsContact O-CA 3.32Å; S369-G374 WeakPolarHBondContact O-CA 3.17Å; S369-G374 PolarHBondContact O-N 3.1Å; S369-F376 PolarHBondContact N-O 2.98Å; S369-F376 WeakPolarHBondContact OG-CB 3.35Å; S369-F376 PolarHBondContact OG-N 2.89Å; S369-F376 VanDerWaalsContact OG-N 3.16Å; S369-F376 PolarHBondContact OG-O 2.78Å; S369-F414 VanDerWaalsContact CA-CD2 3.43Å
370	A	95.2	Very high	96.7	Very high	47 Å²	47	35.2 Å²	35.2	39%	0.388	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-62.6	-34.1	-177.3	0	0	0	0	0	113.6	P316 F368 D372 Q373 P416	P316-A370 HydrophobicContact CG-CB 4.3Å; F368-A370 PolarHBondContact O-N 2.9Å; A370-D372 PolarHBondContact O-N 2.91Å; A370-Q373 PolarHBondContact O-N 2.75Å; A370-P416 HydrophobicContact CB-CB 4.37Å
371	A	94.6	Very high	96.8	Very high	44 Å²	44	29.6 Å²	29.6	36%	0.364	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-64.1	-34.8	-179.1	0	0	0	0	0	113.6	S369	S369-A371 VanDerWaalsContact C-N 3.3Å; S369-A371 PolarHBondContact O-N 2.72Å
372	D	94.6	Very high	96.8	Very high	48 Å²	48	24.5 Å²	24.5	26%	0.257	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-99.7	26.1	177.1	-17.1	-96.3	0	0	0	112.2	S369 A370 G374 A375 F376 S419	S369-D372 WeakPolarHBondContact CB-OD2 2.92Å; S369-D372 PolarHBondContact O-N 2.93Å; S369-D372 PolarHBondContact OG-OD2 3.42Å; A370-D372 PolarHBondContact O-N 2.91Å; D372-G374 PolarHBondContact O-N 2.76Å; D372-G374 VanDerWaalsContact O-N 3.14Å; D372-A375 HydrophobicContact CB-CB 4.07Å; D372-A375 WeakPolarHBondContact O-CB 3.14Å; D372-A375 PolarHBondContact O-N 2.81Å; D372-A375 VanDerWaalsContact O-N 3.16Å; D372-F376 HydrophobicContact CB-CD2 4.32Å; D372-F376 HydrophobicContact CB-CE2 4.21Å; D372-F376 VanDerWaalsContact OD2-CD2 3.32Å; D372-F376 WeakPolarHBondContact OD2-CD2 3.35Å; D372-S419 VanDerWaalsContact CG-CB 3.42Å; D372-S419 VanDerWaalsContact CG-OG 3.32Å; D372-S419 WeakPolarHBondContact OD1-CB 3.31Å; D372-S419 PolarHBondContact OD1-OG 3.07Å; D372-S419 WeakPolarHBondContact OD2-CB 3.36Å; D372-S419 PolarHBondContact OD2-OG 2.81Å
373	Q	95.1	Very high	96.7	Very high	162 Å²	162	24.5 Å²	24.5	76%	0.757	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	29.5	-179.7	-51.4	179.8	8.1	0	0	113.6	H315 A370	H315-Q373 PolarHBondContact CE1-O 2.88Å; H315-Q373 PolarHBondContact NE2-O 2.78Å; A370-Q373 PolarHBondContact O-N 2.75Å
374	G	95.3	Very high	96.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	14.1	178.4	0	0	0	0	0	115.6	H315 S369 D372 F376 C393	H315-G374 WeakPolarHBondContact NE2-CA 3.38Å; H315-G374 PolarHBondContact NE2-O 2.66Å; S369-G374 VanDerWaalsContact O-CA 3.32Å; S369-G374 WeakPolarHBondContact O-CA 3.17Å; S369-G374 PolarHBondContact O-N 3.1Å; D372-G374 PolarHBondContact O-N 2.76Å; D372-G374 VanDerWaalsContact O-N 3.14Å; G374-F376 PolarHBondContact O-N 2.91Å; G374-C393 PolarHBondContact O-SG 3.34Å
375	A	95.2	Very high	96.6	Very high	45 Å²	45	33 Å²	33	37%	0.372	19%	0.188	S	C	.	.			trans	-59	-25.7	177.3	0	0	0	0	0	114.1	D372 C393	D372-A375 HydrophobicContact CB-CB 4.07Å; D372-A375 WeakPolarHBondContact O-CB 3.14Å; D372-A375 PolarHBondContact O-N 2.81Å; D372-A375 VanDerWaalsContact O-N 3.16Å; A375-C393 WeakPolarHBondContact O-CB 3.32Å; A375-C393 PolarHBondContact O-N 3.48Å; A375-C393 PolarHBondContact O-SG 3.14Å
376	F	96.8	Very high	96.5	Very high	46 Å²	46	33.4 Å²	33.4	20%	0.202	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.8	176	-48.1	-58.4	0	0	0	113	F368 S369 D372 G374 V390 W391 L399 F414 W435	F368-F376 CarbonylContact C-O 3.51Å; F368-F376 WeakPolarHBondContact CA-O 3.5Å; S369-F376 PolarHBondContact N-O 2.98Å; S369-F376 WeakPolarHBondContact OG-CB 3.35Å; S369-F376 PolarHBondContact OG-N 2.89Å; S369-F376 VanDerWaalsContact OG-N 3.16Å; S369-F376 PolarHBondContact OG-O 2.78Å; D372-F376 HydrophobicContact CB-CD2 4.32Å; D372-F376 HydrophobicContact CB-CE2 4.21Å; D372-F376 VanDerWaalsContact OD2-CD2 3.32Å; D372-F376 WeakPolarHBondContact OD2-CD2 3.35Å; G374-F376 PolarHBondContact O-N 2.91Å; F376-V390 HydrophobicContact CB-CG1 4.37Å; F376-W391 VanDerWaalsContact CA-O 3.25Å; F376-W391 WeakPolarHBondContact CA-O 3.4Å; F376-L399 HydrophobicContact CD1-CD1 3.57Å; F376-L399 HydrophobicContact CE1-CD1 3.63Å; F376-F414 HydrophobicContact CB-CZ 3.97Å; F376-W435 HydrophobicContact CD1-CH2 4.18Å; F376-W435 HydrophobicContact CD2-CH2 4.04Å; F376-W435 AromaticContact CD2-CZ2 3.7Å; F376-W435 HydrophobicContact CD2-CZ2 3.7Å; F376-W435 HydrophobicContact CE1-CH2 4.21Å; F376-W435 HydrophobicContact CE2-CH2 4.07Å; F376-W435 AromaticContact CE2-CZ2 3.98Å; F376-W435 HydrophobicContact CE2-CZ2 3.98Å; F376-W435 HydrophobicContact CG-CH2 4.1Å; F376-W435 HydrophobicContact CG-CZ2 4.02Å; F376-W435 HydrophobicContact CZ-CH2 4.16Å
377	L	98	Very high	96.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.4	172.1	-174.3	79.9	0	0	0	108.5	A322 V340 L366 A367 F368 V379 V390 W391 C393	A322-L377 HydrophobicContact CB-CD1 4.1Å; V340-L377 HydrophobicContact CG1-CD2 4.03Å; L366-L377 HydrophobicContact CB-CD1 4.41Å; L366-L377 HydrophobicContact CD1-CD1 4.44Å; A367-L377 WeakPolarHBondContact O-CA 3.41Å; A367-L377 WeakPolarHBondContact O-CD1 3.46Å; F368-L377 HydrophobicContact CD1-CB 4.46Å; F368-L377 HydrophobicContact CD1-CD1 3.77Å; F368-L377 HydrophobicContact CD2-CD1 4.28Å; F368-L377 HydrophobicContact CE1-CD1 3.83Å; F368-L377 HydrophobicContact CE2-CD1 4.36Å; F368-L377 HydrophobicContact CG-CD1 4.01Å; F368-L377 HydrophobicContact CZ-CD1 4.16Å; L377-V379 HydrophobicContact CD2-CG2 3.54Å; L377-V379 HydrophobicContact CG-CG2 3.83Å; L377-V390 WeakPolarHBondContact O-CA 3.49Å; L377-W391 PolarHBondContact N-O 3.47Å; L377-W391 PolarHBondContact O-N 2.91Å; L377-C393 PolarHBondContact N-SG 3.02Å; L377-C393 VanDerWaalsContact N-SG 3.43Å
378	C	97.9	Very high	96.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	140.2	166.4	63.9	0	0	0	0	109.3	L366 A367 L388 S389 V390 F414 I422	L366-C378 CarbonylContact C-O 3.56Å; L366-C378 WeakPolarHBondContact CA-O 3.38Å; L366-C378 WeakPolarHBondContact CB-O 3.5Å; A367-C378 PolarHBondContact N-O 2.8Å; A367-C378 PolarHBondContact O-N 2.92Å; A367-C378 PolarHBondContact O-SG 3.49Å; C378-L388 HydrophobicContact CB-CD1 4.4Å; C378-S389 CarbonylContact C-O 3.56Å; C378-S389 WeakPolarHBondContact CA-O 3.37Å; C378-V390 HydrophobicContact CB-CG2 4.43Å; C378-F414 HydrophobicContact CB-CD2 4.33Å; C378-F414 HydrophobicContact CB-CE1 4.5Å; C378-F414 HydrophobicContact CB-CE2 3.61Å; C378-F414 HydrophobicContact CB-CZ 3.7Å; C378-F414 VanDerWaalsContact N-CE2 3.34Å; C378-F414 VanDerWaalsContact SG-CD2 3.54Å; C378-F414 WeakPolarHBondContact SG-CE2 3.31Å; C378-I422 HydrophobicContact CB-CD1 3.92Å
379	V	98.3	Very high	96.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	136.9	-173.5	-174.6	0	0	0	0	109.1	V340 F359 V363 L366 L377 L388 S389	V340-V379 HydrophobicContact CG2-CG1 4.45Å; F359-V379 HydrophobicContact CD1-CG1 4.31Å; F359-V379 HydrophobicContact CE1-CB 4.03Å; F359-V379 HydrophobicContact CE1-CG1 3.64Å; F359-V379 HydrophobicContact CE2-CG1 4.39Å; F359-V379 HydrophobicContact CZ-CB 4.11Å; F359-V379 HydrophobicContact CZ-CG1 3.69Å; F359-V379 HydrophobicContact CZ-CG2 4.23Å; V363-V379 HydrophobicContact CG1-CG1 3.43Å; V363-V379 VanDerWaalsContact CG1-CG1 3.43Å; L366-V379 HydrophobicContact CB-CG2 4.15Å; L377-V379 HydrophobicContact CD2-CG2 3.54Å; L377-V379 HydrophobicContact CG-CG2 3.83Å; V379-L388 WeakPolarHBondContact O-CA 3.42Å; V379-S389 PolarHBondContact N-O 2.89Å; V379-S389 PolarHBondContact O-N 2.94Å; V379-S389 PolarHBondContact O-OG 3.2Å
380	V	98.3	Very high	96.5	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.7	170.8	-176.2	0	0	0	0	108.9	G364 A365 H386 M387 L388 V409 V412 T424	G364-V380 WeakPolarHBondContact CA-O 3.42Å; G364-V380 PolarHBondContact N-O 2.87Å; A365-V380 PolarHBondContact N-O 2.94Å; A365-V380 PolarHBondContact O-N 2.73Å; V380-H386 HydrophobicContact CG1-CB 3.96Å; V380-M387 WeakPolarHBondContact CA-O 3.1Å; V380-L388 HydrophobicContact CG2-CB 4.34Å; V380-L388 HydrophobicContact CG2-CD1 3.77Å; V380-V409 HydrophobicContact CG1-CB 3.95Å; V380-V409 HydrophobicContact CG1-CG1 4.12Å; V380-V409 HydrophobicContact CG1-CG2 4.03Å; V380-V409 HydrophobicContact CG2-CG1 4.44Å; V380-V412 HydrophobicContact CG2-CB 4.02Å; V380-V412 HydrophobicContact CG2-CG1 4.29Å; V380-V412 HydrophobicContact CG2-CG2 4.04Å; V380-T424 HydrophobicContact CG2-CG2 4.26Å
381	D	97.5	Very high	96.5	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	164.7	-179.2	76.1	-2.6	0	0	0	114.2	F359 E360 G362 S383 H386 M387	F359-D381 HydrophobicContact CB-CB 4.04Å; F359-D381 HydrophobicContact CD1-CB 4.33Å; E360-D381 PolarHBondContact N-OD2 2.8Å; G362-D381 CarbonylContact O-C 3.59Å; G362-D381 WeakPolarHBondContact O-CA 3.5Å; G362-D381 WeakPolarHBondContact O-CB 3.16Å; D381-S383 PolarHBondContact O-N 2.82Å; D381-S383 WeakPolarHBondContact OD1-CB 3.26Å; D381-S383 PolarHBondContact OD1-N 3.16Å; D381-S383 PolarHBondContact OD1-OG 3.07Å; D381-S383 WeakPolarHBondContact OD2-CB 3.4Å; D381-H386 PolarHBondContact O-ND1 2.85Å; D381-M387 PolarHBondContact N-O 3.46Å; D381-M387 PolarHBondContact OD1-N 3Å
382	D	95.8	Very high	96.5	Very high	39 Å²	39	30.3 Å²	30.3	21%	0.209	16%	0.156	C	C	.	.	S	Bend	trans	-85	20	175.6	-83.2	-28.7	0	0	0	111.7	R310 R361 G362	R310-D382 IonicContact NE-OD2 3.9Å; R310-D382 IonicContact NH2-OD2 2.82Å; R361-D382 HydrophobicContact CB-CB 4.39Å; R361-D382 WeakPolarHBondContact CD-O 3.49Å; G362-D382 PolarHBondContact O-N 2.96Å
383	S	96.2	Very high	96.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	15%	0.148	C	C	.	.	S	Bend	trans	-62.9	168.6	171.7	74.3	0	0	0	0	111.8	E360 D381 E385 H386	E360-S383 PolarHBondContact O-N 2.77Å; D381-S383 PolarHBondContact O-N 2.82Å; D381-S383 WeakPolarHBondContact OD1-CB 3.26Å; D381-S383 PolarHBondContact OD1-N 3.16Å; D381-S383 PolarHBondContact OD1-OG 3.07Å; D381-S383 WeakPolarHBondContact OD2-CB 3.4Å; S383-E385 PolarHBondContact O-N 3.38Å; S383-E385 PolarHBondContact OG-N 3.24Å; S383-H386 PolarHBondContact O-CE1 3.36Å; S383-H386 VanDerWaalsContact O-CE1 3.27Å; S383-H386 PolarHBondContact O-N 3.14Å; S383-H386 PolarHBondContact O-ND1 2.96Å; S383-H386 PolarHBondContact OG-N 3.24Å
384	N	94.5	Very high	96.2	Very high	111 Å²	111	25.5 Å²	25.5	59%	0.594	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-8.4	175.1	-61	-28.8	0	0	0	113.3	R361	R361-N384 PolarHBondContact NH1-OD1 2.8Å
385	E	95.5	Very high	96	Very high	87 Å²	87	32.5 Å²	32.5	41%	0.407	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-5	-177.5	-53.4	-136.5	137.1	0	0	112.9	S383 M387 K403 S404 T405	S383-E385 PolarHBondContact O-N 3.38Å; S383-E385 PolarHBondContact OG-N 3.24Å; E385-M387 HydrophobicContact CB-CG 4.43Å; E385-M387 HydrophobicContact CB-SD 3.88Å; E385-K403 HydrophobicContact CB-CD 4.17Å; E385-K403 HydrophobicContact CB-CG 4.07Å; E385-K403 VanDerWaalsContact CD-CE 3.5Å; E385-K403 HydrophobicContact CG-CD 4.48Å; E385-K403 IonicContact OE1-NZ 3.51Å; E385-K403 PolarHBondContact OE1-NZ 2.9Å; E385-K403 VanDerWaalsContact OE2-CD 3.31Å; E385-K403 WeakPolarHBondContact OE2-CD 3.47Å; E385-K403 IonicContact OE2-NZ 2.59Å; E385-K403 PolarHBondContact OE2-NZ 3.42Å; E385-S404 PolarHBondContact O-N 2.96Å; E385-T405 CarbonylContact C-O 3.57Å; E385-T405 PolarHBondContact O-N 3.31Å
386	H	96.8	Very high	95.8	Very high	20 Å²	20	31.2 Å²	31.2	9%	0.093	16%	0.161	C	C	.	.			trans	42.2	71	-174.8	-65.3	-56.4	0	0	0	111.5	V380 D381 S383 L388 S404 T405 S408 V409	V380-H386 HydrophobicContact CG1-CB 3.96Å; D381-H386 PolarHBondContact O-ND1 2.85Å; S383-H386 PolarHBondContact O-CE1 3.36Å; S383-H386 VanDerWaalsContact O-CE1 3.27Å; S383-H386 PolarHBondContact O-N 3.14Å; S383-H386 PolarHBondContact O-ND1 2.96Å; S383-H386 PolarHBondContact OG-N 3.24Å; H386-L388 PolarHBondContact O-N 2.89Å; H386-L388 VanDerWaalsContact O-N 3.17Å; H386-S404 WeakPolarHBondContact O-CB 3.21Å; H386-S404 PolarHBondContact O-N 3.33Å; H386-S404 VanDerWaalsContact O-N 3.14Å; H386-T405 HydrophobicContact CB-CG2 4.44Å; H386-S408 WeakPolarHBondContact NE2-CA 3.44Å; H386-V409 HydrophobicContact CB-CG2 3.82Å
387	M	97.6	Very high	95.6	Very high	41 Å²	41	30.7 Å²	30.7	20%	0.202	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	113.8	-171.8	-64.5	-59.4	-67.7	0	0	109.8	V380 D381 E385 E401 K403	V380-M387 WeakPolarHBondContact CA-O 3.1Å; D381-M387 PolarHBondContact N-O 3.46Å; D381-M387 PolarHBondContact OD1-N 3Å; E385-M387 HydrophobicContact CB-CG 4.43Å; E385-M387 HydrophobicContact CB-SD 3.88Å; M387-E401 HydrophobicContact CE-CG 3.61Å; M387-K403 HydrophobicContact SD-CB 4.07Å
388	L	98.1	Very high	95.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.4	171	172.3	62.7	0	0	0	108.2	C378 V379 V380 H386 E401 I402 V412 I422 T424 W433 L447	C378-L388 HydrophobicContact CB-CD1 4.4Å; V379-L388 WeakPolarHBondContact O-CA 3.42Å; V380-L388 HydrophobicContact CG2-CB 4.34Å; V380-L388 HydrophobicContact CG2-CD1 3.77Å; H386-L388 PolarHBondContact O-N 2.89Å; H386-L388 VanDerWaalsContact O-N 3.17Å; L388-E401 CarbonylContact O-C 3.59Å; L388-E401 WeakPolarHBondContact O-CA 3.48Å; L388-I402 HydrophobicContact CB-CG2 4.31Å; L388-I402 PolarHBondContact N-O 2.8Å; L388-I402 PolarHBondContact O-N 2.87Å; L388-V412 HydrophobicContact CD1-CG2 4.13Å; L388-I422 HydrophobicContact CD1-CG2 4.42Å; L388-T424 HydrophobicContact CD1-CG2 4.46Å; L388-T424 HydrophobicContact CD2-CG2 4.29Å; L388-W433 HydrophobicContact CD2-CB 4.38Å; L388-W433 HydrophobicContact CD2-CD2 3.59Å; L388-W433 HydrophobicContact CD2-CE3 4.17Å; L388-W433 HydrophobicContact CD2-CG 3.68Å; L388-W433 HydrophobicContact CD2-CZ2 4.25Å; L388-L447 HydrophobicContact CD2-CD2 4.09Å
389	S	97.3	Very high	95.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.7	177.9	56.6	0	0	0	0	111.2	C378 V379 W391 A400	C378-S389 CarbonylContact C-O 3.56Å; C378-S389 WeakPolarHBondContact CA-O 3.37Å; V379-S389 PolarHBondContact N-O 2.89Å; V379-S389 PolarHBondContact O-N 2.94Å; V379-S389 PolarHBondContact O-OG 3.2Å; S389-W391 PolarHBondContact OG-NE1 2.92Å; S389-A400 CarbonylContact C-O 3.59Å; S389-A400 WeakPolarHBondContact CA-O 3.42Å
390	V	97.1	Very high	95	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.1	176.9	-175.8	0	0	0	0	108.8	F376 L377 C378 L399 A400 F414 I422 W435	F376-V390 HydrophobicContact CB-CG1 4.37Å; L377-V390 WeakPolarHBondContact O-CA 3.49Å; C378-V390 HydrophobicContact CB-CG2 4.43Å; V390-L399 WeakPolarHBondContact O-CB 3.24Å; V390-L399 PolarHBondContact O-N 3.08Å; V390-A400 HydrophobicContact CB-CB 4.39Å; V390-A400 PolarHBondContact N-O 3.1Å; V390-A400 PolarHBondContact O-N 3.18Å; V390-F414 HydrophobicContact CG1-CZ 4.31Å; V390-I422 HydrophobicContact CG2-CD1 3.6Å; V390-W435 HydrophobicContact CB-CE3 4.41Å; V390-W435 HydrophobicContact CG1-CD2 4.11Å; V390-W435 HydrophobicContact CG1-CE3 4.09Å; V390-W435 HydrophobicContact CG1-CH2 3.87Å; V390-W435 HydrophobicContact CG1-CZ2 3.88Å; V390-W435 HydrophobicContact CG1-CZ3 3.96Å; V390-W435 HydrophobicContact CG2-CD2 4.35Å; V390-W435 HydrophobicContact CG2-CG 4.42Å
391	W	96.4	Very high	94.9	Very high	12 Å²	12	37.6 Å²	37.6	5%	0.045	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.8	-170.6	-61.5	80.1	0	0	0	111.8	I354 A358 F359 F376 L377 S389 V397 K398	I354-W391 HydrophobicContact CG2-CB 4.11Å; I354-W391 HydrophobicContact CG2-CD2 3.47Å; I354-W391 VanDerWaalsContact CG2-CD2 3.47Å; I354-W391 HydrophobicContact CG2-CE3 3.6Å; I354-W391 HydrophobicContact CG2-CG 3.69Å; I354-W391 HydrophobicContact CG2-CZ3 4.22Å; A358-W391 HydrophobicContact CB-CH2 3.75Å; A358-W391 HydrophobicContact CB-CZ2 4.04Å; F359-W391 AromaticContact CE1-CZ2 3.78Å; F359-W391 HydrophobicContact CE1-CZ2 3.78Å; F359-W391 AromaticContact CE1-NE1 3.75Å; F359-W391 AromaticContact CZ-CE2 3.89Å; F359-W391 AromaticContact CZ-CZ2 3.8Å; F359-W391 HydrophobicContact CZ-CZ2 3.8Å; F359-W391 AromaticContact CZ-NE1 3.8Å; F376-W391 VanDerWaalsContact CA-O 3.25Å; F376-W391 WeakPolarHBondContact CA-O 3.4Å; L377-W391 PolarHBondContact N-O 3.47Å; L377-W391 PolarHBondContact O-N 2.91Å; S389-W391 PolarHBondContact OG-NE1 2.92Å; W391-V397 WeakPolarHBondContact CA-O 3.32Å; W391-K398 HydrophobicContact CD2-CB 4.15Å; W391-K398 HydrophobicContact CD2-CG 4.34Å; W391-K398 HydrophobicContact CE3-CB 3.86Å; W391-K398 VanDerWaalsContact CE3-N 3.33Å; W391-K398 HydrophobicContact CH2-CB 3.79Å; W391-K398 HydrophobicContact CH2-CD 3.91Å; W391-K398 HydrophobicContact CH2-CG 4.19Å; W391-K398 HydrophobicContact CZ2-CB 4.1Å; W391-K398 HydrophobicContact CZ2-CD 3.6Å; W391-K398 HydrophobicContact CZ2-CG 4Å; W391-K398 HydrophobicContact CZ3-CB 3.69Å; W391-K398 HydrophobicContact CZ3-CG 4.48Å
392	D	94.3	Very high	94.8	Very high	18 Å²	18	40.1 Å²	40.1	10%	0.096	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	113.6	164.9	-176.5	-42.7	0	0	0	109.4	S394 R395 G396 V397 L399	D392-S394 PolarHBondContact O-N 2.93Å; D392-S394 WeakPolarHBondContact OD1-CA 3.28Å; D392-S394 WeakPolarHBondContact OD1-CB 3.45Å; D392-S394 PolarHBondContact OD1-N 2.93Å; D392-S394 PolarHBondContact OD1-OG 2.91Å; D392-R395 HydrophobicContact CB-CB 4.31Å; D392-R395 PolarHBondContact OD1-N 3.47Å; D392-R395 WeakPolarHBondContact OD2-CD 3.24Å; D392-R395 IonicContact OD2-CZ 3.64Å; D392-R395 IonicContact OD2-NE 3.86Å; D392-R395 IonicContact OD2-NH1 2.7Å; D392-R395 PolarHBondContact OD2-NH1 2.9Å; D392-G396 WeakPolarHBondContact O-CA 3.38Å; D392-G396 PolarHBondContact O-N 2.7Å; D392-V397 HydrophobicContact CB-CB 4.49Å; D392-V397 PolarHBondContact N-O 3.35Å; D392-L399 HydrophobicContact CB-CD1 4.24Å; D392-L399 HydrophobicContact CB-CD2 4.22Å; D392-L399 HydrophobicContact CB-CG 4.32Å
393	C	93.3	Very high	94.8	Very high	13 Å²	13	41.8 Å²	41.8	9%	0.088	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.8	-177.4	-64.9	0	0	0	0	113.4	I342 G374 A375 L377	I342-C393 HydrophobicContact CD1-CB 4.08Å; G374-C393 PolarHBondContact O-SG 3.34Å; A375-C393 WeakPolarHBondContact O-CB 3.32Å; A375-C393 PolarHBondContact O-N 3.48Å; A375-C393 PolarHBondContact O-SG 3.14Å; L377-C393 PolarHBondContact N-SG 3.02Å; L377-C393 VanDerWaalsContact N-SG 3.43Å
394	S	90.5	Very high	94.8	Very high	95 Å²	95	41.7 Å²	41.7	66%	0.664	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-28.2	-173.9	72.6	0	0	0	0	113.1	D392	D392-S394 PolarHBondContact O-N 2.93Å; D392-S394 WeakPolarHBondContact OD1-CA 3.28Å; D392-S394 WeakPolarHBondContact OD1-CB 3.45Å; D392-S394 PolarHBondContact OD1-N 2.93Å; D392-S394 PolarHBondContact OD1-OG 2.91Å
395	R	90.1	Very high	94.8	Very high	149 Å²	149	37.3 Å²	37.3	56%	0.562	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-12.3	-176.1	-71.2	162.7	51.4	-125.3	4.5	113.6	D392 V397	D392-R395 HydrophobicContact CB-CB 4.31Å; D392-R395 PolarHBondContact OD1-N 3.47Å; D392-R395 WeakPolarHBondContact OD2-CD 3.24Å; D392-R395 IonicContact OD2-CZ 3.64Å; D392-R395 IonicContact OD2-NE 3.86Å; D392-R395 IonicContact OD2-NH1 2.7Å; D392-R395 PolarHBondContact OD2-NH1 2.9Å; R395-V397 HydrophobicContact CB-CB 4.39Å; R395-V397 HydrophobicContact CB-CG2 3.94Å; R395-V397 PolarHBondContact O-N 3.48Å
396	G	92.1	Very high	94.7	Very high	18 Å²	18	38.8 Å²	38.8	19%	0.186	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	18.9	-175.4	0	0	0	0	0	114.4	D392	D392-G396 WeakPolarHBondContact O-CA 3.38Å; D392-G396 PolarHBondContact O-N 2.7Å
397	V	92.1	Very high	94.7	Very high	34 Å²	34	40.3 Å²	40.3	21%	0.206	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.5	-169.8	172.8	0	0	0	0	111.4	W391 D392 R395 L399 P442	W391-V397 WeakPolarHBondContact CA-O 3.32Å; D392-V397 HydrophobicContact CB-CB 4.49Å; D392-V397 PolarHBondContact N-O 3.35Å; R395-V397 HydrophobicContact CB-CB 4.39Å; R395-V397 HydrophobicContact CB-CG2 3.94Å; R395-V397 PolarHBondContact O-N 3.48Å; V397-L399 HydrophobicContact CG1-CD2 4.43Å; V397-L399 PolarHBondContact O-N 3.43Å; V397-P442 HydrophobicContact CG1-CB 3.73Å; V397-P442 HydrophobicContact CG1-CG 3.94Å
398	K	94.3	Very high	94.5	Very high	52 Å²	52	41 Å²	41	23%	0.226	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	122.5	170.7	-163.8	159.5	70.7	-179.9	0	110.1	W391 E401 G443	W391-K398 HydrophobicContact CD2-CB 4.15Å; W391-K398 HydrophobicContact CD2-CG 4.34Å; W391-K398 HydrophobicContact CE3-CB 3.86Å; W391-K398 VanDerWaalsContact CE3-N 3.33Å; W391-K398 HydrophobicContact CH2-CB 3.79Å; W391-K398 HydrophobicContact CH2-CD 3.91Å; W391-K398 HydrophobicContact CH2-CG 4.19Å; W391-K398 HydrophobicContact CZ2-CB 4.1Å; W391-K398 HydrophobicContact CZ2-CD 3.6Å; W391-K398 HydrophobicContact CZ2-CG 4Å; W391-K398 HydrophobicContact CZ3-CB 3.69Å; W391-K398 HydrophobicContact CZ3-CG 4.48Å; K398-E401 HydrophobicContact CD-CB 4.21Å; K398-E401 WeakPolarHBondContact CD-OE1 3.37Å; K398-E401 WeakPolarHBondContact CE-OE1 3.26Å; K398-E401 WeakPolarHBondContact CE-OE2 3.48Å; K398-E401 IonicContact NZ-OE1 2.86Å; K398-E401 PolarHBondContact NZ-OE1 3.25Å; K398-E401 IonicContact NZ-OE2 2.74Å; K398-E401 PolarHBondContact NZ-OE2 2.72Å; K398-G443 PolarHBondContact O-N 2.81Å
399	L	94.1	Very high	94.5	Very high	22 Å²	22	41.7 Å²	41.7	12%	0.115	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-46.2	-178.2	-59	-179.8	0	0	0	111.5	F376 V390 D392 V397 W435 G443 G445	F376-L399 HydrophobicContact CD1-CD1 3.57Å; F376-L399 HydrophobicContact CE1-CD1 3.63Å; V390-L399 WeakPolarHBondContact O-CB 3.24Å; V390-L399 PolarHBondContact O-N 3.08Å; D392-L399 HydrophobicContact CB-CD1 4.24Å; D392-L399 HydrophobicContact CB-CD2 4.22Å; D392-L399 HydrophobicContact CB-CG 4.32Å; V397-L399 HydrophobicContact CG1-CD2 4.43Å; V397-L399 PolarHBondContact O-N 3.43Å; L399-W435 HydrophobicContact CB-CZ3 4.09Å; L399-W435 HydrophobicContact CD1-CH2 3.84Å; L399-W435 HydrophobicContact CD1-CZ3 3.95Å; L399-G443 CarbonylContact O-C 3.56Å; L399-G443 WeakPolarHBondContact O-CA 3.3Å; L399-G445 VanDerWaalsContact O-CA 3.26Å; L399-G445 WeakPolarHBondContact O-CA 3.2Å; L399-G445 PolarHBondContact O-N 2.9Å
400	A	94.3	Very high	94.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.5	-179.5	0	0	0	0	0	110.4	S389 V390 W435 G445 L447	S389-A400 CarbonylContact C-O 3.59Å; S389-A400 WeakPolarHBondContact CA-O 3.42Å; V390-A400 HydrophobicContact CB-CB 4.39Å; V390-A400 PolarHBondContact N-O 3.1Å; V390-A400 PolarHBondContact O-N 3.18Å; A400-W435 HydrophobicContact CB-CE3 4.4Å; A400-G445 WeakPolarHBondContact CB-O 3.48Å; A400-L447 HydrophobicContact CB-CD1 3.7Å; A400-L447 HydrophobicContact CB-CG 4.05Å
401	E	94.9	Very high	94.5	Very high	73 Å²	73	43.4 Å²	43.4	34%	0.341	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	141.3	177.7	178.6	163.3	-94.6	0	0	111.3	M387 L388 K398	M387-E401 HydrophobicContact CE-CG 3.61Å; L388-E401 CarbonylContact O-C 3.59Å; L388-E401 WeakPolarHBondContact O-CA 3.48Å; K398-E401 HydrophobicContact CD-CB 4.21Å; K398-E401 WeakPolarHBondContact CD-OE1 3.37Å; K398-E401 WeakPolarHBondContact CE-OE1 3.26Å; K398-E401 WeakPolarHBondContact CE-OE2 3.48Å; K398-E401 IonicContact NZ-OE1 2.86Å; K398-E401 PolarHBondContact NZ-OE1 3.25Å; K398-E401 IonicContact NZ-OE2 2.74Å; K398-E401 PolarHBondContact NZ-OE2 2.72Å
402	I	95.9	Very high	94.5	Very high	56 Å²	56	43.6 Å²	43.6	29%	0.287	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	150.7	172.7	-158.1	161	0	0	0	112.1	L388 S404 W433 L447	L388-I402 HydrophobicContact CB-CG2 4.31Å; L388-I402 PolarHBondContact N-O 2.8Å; L388-I402 PolarHBondContact O-N 2.87Å; I402-S404 PolarHBondContact O-N 3.27Å; I402-W433 HydrophobicContact CD1-CZ3 4.26Å; I402-W433 HydrophobicContact CG2-CE3 4.06Å; I402-W433 HydrophobicContact CG2-CH2 3.8Å; I402-W433 HydrophobicContact CG2-CZ3 3.39Å; I402-L447 HydrophobicContact CB-CB 4.02Å; I402-L447 HydrophobicContact CB-CD1 4.16Å; I402-L447 HydrophobicContact CD1-CB 4.24Å; I402-L447 WeakPolarHBondContact CD1-O 3.42Å; I402-L447 HydrophobicContact CG2-CB 3.75Å; I402-L447 HydrophobicContact CG2-CD1 3.83Å; I402-L447 HydrophobicContact CG2-CG 4.29Å
403	K	96.5	Very high	94.7	Very high	74 Å²	74	43.1 Å²	43.1	32%	0.322	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	116	164.2	174.6	169	-158.7	165.2	0	110.7	E385 M387 N406	E385-K403 HydrophobicContact CB-CD 4.17Å; E385-K403 HydrophobicContact CB-CG 4.07Å; E385-K403 VanDerWaalsContact CD-CE 3.5Å; E385-K403 HydrophobicContact CG-CD 4.48Å; E385-K403 IonicContact OE1-NZ 3.51Å; E385-K403 PolarHBondContact OE1-NZ 2.9Å; E385-K403 VanDerWaalsContact OE2-CD 3.31Å; E385-K403 WeakPolarHBondContact OE2-CD 3.47Å; E385-K403 IonicContact OE2-NZ 2.59Å; E385-K403 PolarHBondContact OE2-NZ 3.42Å; M387-K403 HydrophobicContact SD-CB 4.07Å; K403-N406 WeakPolarHBondContact CE-OD1 3.38Å; K403-N406 PolarHBondContact NZ-OD1 3.14Å
404	S	94.3	Very high	94.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.			trans	-73.7	-56.3	177.5	-172.2	0	0	0	0	111	E385 H386 I402 W433 R449	E385-S404 PolarHBondContact O-N 2.96Å; H386-S404 WeakPolarHBondContact O-CB 3.21Å; H386-S404 PolarHBondContact O-N 3.33Å; H386-S404 VanDerWaalsContact O-N 3.14Å; I402-S404 PolarHBondContact O-N 3.27Å; S404-W433 WeakPolarHBondContact OG-CZ2 3.05Å; S404-R449 PolarHBondContact O-NH1 2.9Å
405	T	94.9	Very high	95.1	Very high	19 Å²	19	39.1 Å²	39.1	12%	0.117	20%	0.203	C	C	.	.			trans	-175.8	154.9	-167.3	175.4	0	0	0	0	111.6	E385 H386 D407 V409	E385-T405 CarbonylContact C-O 3.57Å; E385-T405 PolarHBondContact O-N 3.31Å; H386-T405 HydrophobicContact CB-CG2 4.44Å; T405-D407 VanDerWaalsContact C-N 3.26Å; T405-D407 WeakPolarHBondContact CG2-O 3.44Å; T405-D407 PolarHBondContact OG1-N 2.87Å; T405-V409 HydrophobicContact CG2-CG2 3.5Å
406	N	94.6	Very high	95.2	Very high	117 Å²	117	35 Å²	35	63%	0.626	20%	0.196	S	C	*	.	S	Bend	trans	-83.4	-1	170.5	-54.7	-36.7	0	0	0	112.8	K403	K403-N406 WeakPolarHBondContact CE-OD1 3.38Å; K403-N406 PolarHBondContact NZ-OD1 3.14Å
407	D	95.3	Very high	95.2	Very high	53 Å²	53	42.3 Å²	42.3	28%	0.283	22%	0.218	S	C	.	.	S	Bend	trans	-112.2	132.9	-176.4	-87.9	-42.1	0	0	0	110.6	T405 V409 K427	T405-D407 VanDerWaalsContact C-N 3.26Å; T405-D407 WeakPolarHBondContact CG2-O 3.44Å; T405-D407 PolarHBondContact OG1-N 2.87Å; D407-V409 PolarHBondContact O-N 3.07Å; D407-V409 VanDerWaalsContact O-N 3.14Å; D407-K427 HydrophobicContact CB-CB 4.18Å; D407-K427 HydrophobicContact CB-CD 4.17Å; D407-K427 HydrophobicContact CB-CG 4.29Å; D407-K427 VanDerWaalsContact OD1-CD 3.26Å; D407-K427 WeakPolarHBondContact OD1-CD 3.44Å; D407-K427 WeakPolarHBondContact OD1-CE 3.45Å; D407-K427 IonicContact OD1-NZ 2.75Å; D407-K427 PolarHBondContact OD1-NZ 2.87Å
408	S	94.5	Very high	95.2	Very high	55 Å²	55	43 Å²	43	39%	0.385	22%	0.22	S	C	.	.			trans	-43.5	114.8	-173.2	-48.9	0	0	0	0	114.4	H386 G426 K427	H386-S408 WeakPolarHBondContact NE2-CA 3.44Å; S408-G426 WeakPolarHBondContact O-CA 3.37Å; S408-K427 PolarHBondContact O-N 2.81Å
409	V	97.2	Very high	95.1	Very high	15 Å²	15	41.5 Å²	41.5	9%	0.091	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.9	165.9	-175.8	0	0	0	0	108.1	V380 H386 T405 D407 T424	V380-V409 HydrophobicContact CG1-CB 3.95Å; V380-V409 HydrophobicContact CG1-CG1 4.12Å; V380-V409 HydrophobicContact CG1-CG2 4.03Å; V380-V409 HydrophobicContact CG2-CG1 4.44Å; H386-V409 HydrophobicContact CB-CG2 3.82Å; T405-V409 HydrophobicContact CG2-CG2 3.5Å; D407-V409 PolarHBondContact O-N 3.07Å; D407-V409 VanDerWaalsContact O-N 3.14Å; V409-T424 HydrophobicContact CG1-CG2 4.43Å
410	L	96.6	Very high	95	Very high	25 Å²	25	42 Å²	42	13%	0.131	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	-27.3	-175.4	-59.6	178.7	0	0	0	112.6	S425 F462 P464	L410-S425 PolarHBondContact N-O 2.95Å; L410-F462 HydrophobicContact CD1-CB 4.26Å; L410-F462 HydrophobicContact CD1-CD1 4.06Å; L410-P464 HydrophobicContact CB-CB 4.5Å; L410-P464 HydrophobicContact CD1-CB 3.87Å
411	A	97.4	Very high	95	Very high	11 Å²	11	42.2 Å²	42.2	9%	0.091	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.1	174.9	0	0	0	0	0	111.6	T424 S425 F466	A411-T424 WeakPolarHBondContact O-CA 3.17Å; A411-S425 PolarHBondContact N-O 2.75Å; A411-S425 PolarHBondContact O-N 2.64Å; A411-F466 HydrophobicContact CB-CD1 3.9Å; A411-F466 HydrophobicContact CB-CE1 3.62Å
412	V	98.3	Very high	95.1	Very high	16 Å²	16	38.8 Å²	38.8	10%	0.097	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.4	171.9	68.1	0	0	0	0	109.7	A365 V380 L388 I422 V423 T424	A365-V412 HydrophobicContact CB-CG1 3.79Å; V380-V412 HydrophobicContact CG2-CB 4.02Å; V380-V412 HydrophobicContact CG2-CG1 4.29Å; V380-V412 HydrophobicContact CG2-CG2 4.04Å; L388-V412 HydrophobicContact CD1-CG2 4.13Å; V412-I422 HydrophobicContact CG2-CG2 3.76Å; V412-V423 CarbonylContact C-O 3.58Å; V412-V423 VanDerWaalsContact CA-O 3.31Å; V412-V423 WeakPolarHBondContact CA-O 3.5Å; V412-T424 HydrophobicContact CB-CG2 4.18Å; V412-T424 HydrophobicContact CG2-CG2 3.7Å
413	G	97.4	Very high	95.1	Very high	8 Å²	8	36.1 Å²	36.1	8%	0.082	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	145.4	178.6	0	0	0	0	0	113.3	I422 V423	G413-I422 CarbonylContact O-C 3.55Å; G413-I422 WeakPolarHBondContact O-CA 3.14Å; G413-V423 PolarHBondContact N-O 3.48Å; G413-V423 PolarHBondContact O-N 3.11Å
414	F	96.9	Very high	95.2	Very high	9 Å²	9	32.6 Å²	32.6	4%	0.039	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	147.5	168.7	-72.4	-85.2	0	0	0	111.1	A367 F368 S369 F376 C378 V390 P416 S419 I422 W435 F468	A367-F414 WeakPolarHBondContact O-CE2 3.29Å; F368-F414 WeakPolarHBondContact O-CD2 3.2Å; S369-F414 VanDerWaalsContact CA-CD2 3.43Å; F376-F414 HydrophobicContact CB-CZ 3.97Å; C378-F414 HydrophobicContact CB-CD2 4.33Å; C378-F414 HydrophobicContact CB-CE1 4.5Å; C378-F414 HydrophobicContact CB-CE2 3.61Å; C378-F414 HydrophobicContact CB-CZ 3.7Å; C378-F414 VanDerWaalsContact N-CE2 3.34Å; C378-F414 VanDerWaalsContact SG-CD2 3.54Å; C378-F414 WeakPolarHBondContact SG-CE2 3.31Å; V390-F414 HydrophobicContact CG1-CZ 4.31Å; F414-P416 WeakPolarHBondContact O-CD 3.38Å; F414-S419 VanDerWaalsContact CD1-O 3.23Å; F414-S419 WeakPolarHBondContact CD1-O 3.4Å; F414-S419 WeakPolarHBondContact CE1-O 3.36Å; F414-I422 HydrophobicContact CD1-CD1 4.1Å; F414-I422 HydrophobicContact CD1-CG1 3.45Å; F414-I422 VanDerWaalsContact CD1-CG1 3.45Å; F414-I422 HydrophobicContact CE1-CD1 3.62Å; F414-I422 HydrophobicContact CE1-CG1 3.53Å; F414-I422 HydrophobicContact CG-CG1 4.17Å; F414-I422 HydrophobicContact CZ-CD1 4.13Å; F414-I422 HydrophobicContact CZ-CG1 4.32Å; F414-W435 AromaticContact CE1-NE1 3.75Å; F414-F468 VanDerWaalsContact C-CZ 3.47Å; F414-F468 WeakPolarHBondContact O-CE2 3.46Å; F414-F468 WeakPolarHBondContact O-CZ 3.5Å
415	N	94.7	Very high	95.4	Very high	16 Å²	16	32.6 Å²	32.6	9%	0.086	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	127.4	166.3	-176.9	-52.5	0	0	0	109.5	R417 D418 C421 F468	N415-R417 PolarHBondContact O-N 2.87Å; N415-R417 PolarHBondContact OD1-N 3.15Å; N415-D418 HydrophobicContact CB-CB 4.37Å; N415-D418 WeakPolarHBondContact CB-O 3.24Å; N415-D418 CarbonylContact O-C 3.58Å; N415-D418 PolarHBondContact O-N 2.84Å; N415-D418 PolarHBondContact OD1-N 2.93Å; N415-C421 HydrophobicContact CB-CB 3.94Å; N415-C421 PolarHBondContact N-O 3.08Å; N415-F468 HydrophobicContact CB-CD1 4.09Å; N415-F468 HydrophobicContact CB-CE1 3.71Å; N415-F468 HydrophobicContact CB-CZ 4.26Å
416	P	93.8	Very high	95.5	Very high	63 Å²	63	31.7 Å²	31.7	41%	0.409	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.4	-175.2	-27.2	35.4	0	0	0	116.2	A370 F414 F468	A370-P416 HydrophobicContact CB-CB 4.37Å; F414-P416 WeakPolarHBondContact O-CD 3.38Å; P416-F468 VanDerWaalsContact CD-CG 3.45Å; P416-F468 HydrophobicContact CG-CB 4.04Å; P416-F468 HydrophobicContact CG-CD2 4.23Å; P416-F468 HydrophobicContact CG-CG 4.27Å
417	R	92.1	Very high	95.6	Very high	171 Å²	171	29.8 Å²	29.8	65%	0.645	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-13	179.1	-66.5	-176.3	177	148.7	3.9	114.6	N415 P470	N415-R417 PolarHBondContact O-N 2.87Å; N415-R417 PolarHBondContact OD1-N 3.15Å; R417-P470 PolarHBondContact NH1-O 3.3Å; R417-P470 PolarHBondContact NH2-O 3.48Å
418	D	91.3	Very high	95.4	Very high	48 Å²	48	29 Å²	29	26%	0.257	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	91.5	-173.8	175.5	8.6	0	0	0	108.8	N415 S420 C421	N415-D418 HydrophobicContact CB-CB 4.37Å; N415-D418 WeakPolarHBondContact CB-O 3.24Å; N415-D418 CarbonylContact O-C 3.58Å; N415-D418 PolarHBondContact O-N 2.84Å; N415-D418 PolarHBondContact OD1-N 2.93Å; D418-S420 PolarHBondContact O-N 2.84Å; D418-S420 VanDerWaalsContact O-N 3.16Å; D418-S420 VanDerWaalsContact OD1-CB 3.31Å; D418-S420 WeakPolarHBondContact OD1-CB 3.29Å; D418-S420 PolarHBondContact OD1-N 3.37Å; D418-S420 PolarHBondContact OD1-OG 2.82Å; D418-C421 HydrophobicContact CB-CB 4.42Å; D418-C421 PolarHBondContact O-N 3.06Å
419	S	91.7	Very high	95.4	Very high	21 Å²	21	26.7 Å²	26.7	15%	0.147	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	-20.2	179.6	52.8	0	0	0	0	113.4	D372 F414 C421 W435	D372-S419 VanDerWaalsContact CG-CB 3.42Å; D372-S419 VanDerWaalsContact CG-OG 3.32Å; D372-S419 WeakPolarHBondContact OD1-CB 3.31Å; D372-S419 PolarHBondContact OD1-OG 3.07Å; D372-S419 WeakPolarHBondContact OD2-CB 3.36Å; D372-S419 PolarHBondContact OD2-OG 2.81Å; F414-S419 VanDerWaalsContact CD1-O 3.23Å; F414-S419 WeakPolarHBondContact CD1-O 3.4Å; F414-S419 WeakPolarHBondContact CE1-O 3.36Å; S419-C421 PolarHBondContact O-N 3.37Å; S419-W435 PolarHBondContact O-NE1 2.89Å
420	S	91.9	Very high	95.4	Very high	32 Å²	32	26 Å²	26	22%	0.224	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-18.9	174.6	82.1	0	0	0	0	112.6	D418 N434 W435	D418-S420 PolarHBondContact O-N 2.84Å; D418-S420 VanDerWaalsContact O-N 3.16Å; D418-S420 VanDerWaalsContact OD1-CB 3.31Å; D418-S420 WeakPolarHBondContact OD1-CB 3.29Å; D418-S420 PolarHBondContact OD1-N 3.37Å; D418-S420 PolarHBondContact OD1-OG 2.82Å; S420-N434 CarbonylContact O-C 3.52Å; S420-N434 VanDerWaalsContact O-CA 3.31Å; S420-N434 WeakPolarHBondContact O-CA 3.45Å; S420-W435 VanDerWaalsContact O-CD1 3.25Å; S420-W435 PolarHBondContact O-N 2.8Å
421	C	93.9	Very high	95.4	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.034	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.4	179.7	-168.9	0	0	0	0	111.9	N415 D418 S419 W433	N415-C421 HydrophobicContact CB-CB 3.94Å; N415-C421 PolarHBondContact N-O 3.08Å; D418-C421 HydrophobicContact CB-CB 4.42Å; D418-C421 PolarHBondContact O-N 3.06Å; S419-C421 PolarHBondContact O-N 3.37Å; C421-W433 WeakPolarHBondContact CA-O 3.49Å
422	I	96.9	Very high	95.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140	172.9	-62.8	162.5	0	0	0	108.9	C378 L388 V390 V412 G413 F414 W433 W435	C378-I422 HydrophobicContact CB-CD1 3.92Å; L388-I422 HydrophobicContact CD1-CG2 4.42Å; V390-I422 HydrophobicContact CG2-CD1 3.6Å; V412-I422 HydrophobicContact CG2-CG2 3.76Å; G413-I422 CarbonylContact O-C 3.55Å; G413-I422 WeakPolarHBondContact O-CA 3.14Å; F414-I422 HydrophobicContact CD1-CD1 4.1Å; F414-I422 HydrophobicContact CD1-CG1 3.45Å; F414-I422 VanDerWaalsContact CD1-CG1 3.45Å; F414-I422 HydrophobicContact CE1-CD1 3.62Å; F414-I422 HydrophobicContact CE1-CG1 3.53Å; F414-I422 HydrophobicContact CG-CG1 4.17Å; F414-I422 HydrophobicContact CZ-CD1 4.13Å; F414-I422 HydrophobicContact CZ-CG1 4.32Å; I422-W433 HydrophobicContact CB-CB 4.18Å; I422-W433 PolarHBondContact N-O 3.47Å; I422-W433 WeakPolarHBondContact O-CB 3.48Å; I422-W433 PolarHBondContact O-N 2.9Å; I422-W435 HydrophobicContact CD1-CG 4.36Å
423	V	97.9	Very high	95.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.4	173	179	0	0	0	0	109.4	V412 G413 V430 H431 F432 F466 F468 I474	V412-V423 CarbonylContact C-O 3.58Å; V412-V423 VanDerWaalsContact CA-O 3.31Å; V412-V423 WeakPolarHBondContact CA-O 3.5Å; G413-V423 PolarHBondContact N-O 3.48Å; G413-V423 PolarHBondContact O-N 3.11Å; V423-V430 HydrophobicContact CG1-CG1 4.02Å; V423-H431 WeakPolarHBondContact CA-O 3.37Å; V423-F432 HydrophobicContact CG2-CD1 4.02Å; V423-F432 HydrophobicContact CG2-CE1 4.4Å; V423-F466 HydrophobicContact CB-CD2 4.44Å; V423-F466 HydrophobicContact CB-CE1 4.43Å; V423-F466 HydrophobicContact CB-CE2 3.68Å; V423-F466 HydrophobicContact CB-CZ 3.67Å; V423-F466 HydrophobicContact CG1-CD1 4.31Å; V423-F466 HydrophobicContact CG1-CD2 4.1Å; V423-F466 HydrophobicContact CG1-CE1 3.95Å; V423-F466 HydrophobicContact CG1-CE2 3.74Å; V423-F466 HydrophobicContact CG1-CG 4.38Å; V423-F466 HydrophobicContact CG1-CZ 3.65Å; V423-F466 WeakPolarHBondContact O-CZ 3.49Å; V423-F468 HydrophobicContact CB-CE1 4.49Å; V423-F468 HydrophobicContact CB-CZ 4.01Å; V423-F468 HydrophobicContact CG2-CE1 3.64Å; V423-F468 HydrophobicContact CG2-CZ 3.62Å; V423-I474 HydrophobicContact CG2-CD1 3.8Å
424	T	98.3	Very high	95.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.7	166.6	59	0	0	0	0	109.8	V380 L388 V409 A411 V412 H431 W433	V380-T424 HydrophobicContact CG2-CG2 4.26Å; L388-T424 HydrophobicContact CD1-CG2 4.46Å; L388-T424 HydrophobicContact CD2-CG2 4.29Å; V409-T424 HydrophobicContact CG1-CG2 4.43Å; A411-T424 WeakPolarHBondContact O-CA 3.17Å; V412-T424 HydrophobicContact CB-CG2 4.18Å; V412-T424 HydrophobicContact CG2-CG2 3.7Å; T424-H431 PolarHBondContact N-O 2.89Å; T424-H431 PolarHBondContact O-N 3.37Å; T424-W433 PolarHBondContact OG1-NE1 3.2Å
425	S	97.9	Very high	95	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	157.8	173.9	78.6	0	0	0	0	111.7	L410 A411 H429 I463 F466	L410-S425 PolarHBondContact N-O 2.95Å; A411-S425 PolarHBondContact N-O 2.75Å; A411-S425 PolarHBondContact O-N 2.64Å; S425-H429 WeakPolarHBondContact CA-O 3.18Å; S425-I463 CarbonylContact C-O 3.57Å; S425-I463 VanDerWaalsContact CB-O 3.31Å; S425-I463 WeakPolarHBondContact CB-O 3.4Å; S425-I463 PolarHBondContact OG-O 2.88Å; S425-F466 WeakPolarHBondContact OG-CD1 3.19Å
426	G	97.3	Very high	94.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176	-143.4	175.9	0	0	0	0	0	114.1	S408 S428 H429 I463	S408-G426 WeakPolarHBondContact O-CA 3.37Å; G426-S428 PolarHBondContact O-N 3.16Å; G426-H429 PolarHBondContact N-O 3.46Å; G426-H429 VanDerWaalsContact N-O 3.08Å; G426-I463 PolarHBondContact N-O 2.93Å; G426-I463 PolarHBondContact O-N 3.25Å
427	K	96.6	Very high	93.8	Very high	77 Å²	77	28.3 Å²	28.3	34%	0.335	16%	0.155	S	C	.	.	B	Isolated β-bridge	trans	-59.5	117.2	176.2	-180	-176.5	169.9	-151.9	0	109.9	D407 S408 H429 F462	D407-K427 HydrophobicContact CB-CB 4.18Å; D407-K427 HydrophobicContact CB-CD 4.17Å; D407-K427 HydrophobicContact CB-CG 4.29Å; D407-K427 VanDerWaalsContact OD1-CD 3.26Å; D407-K427 WeakPolarHBondContact OD1-CD 3.44Å; D407-K427 WeakPolarHBondContact OD1-CE 3.45Å; D407-K427 IonicContact OD1-NZ 2.75Å; D407-K427 PolarHBondContact OD1-NZ 2.87Å; S408-K427 PolarHBondContact O-N 2.81Å; K427-H429 PolarHBondContact O-N 3.42Å; K427-H429 VanDerWaalsContact O-N 3.07Å; K427-H429 PolarHBondContact O-ND1 3.04Å; K427-F462 HydrophobicContact CB-CD1 3.69Å; K427-F462 HydrophobicContact CB-CE1 3.75Å; K427-F462 HydrophobicContact CD-CE1 4.2Å; K427-F462 HydrophobicContact CG-CD1 4.05Å; K427-F462 HydrophobicContact CG-CE1 3.77Å
428	S	91.4	Very high	92.4	Very high	38 Å²	38	21.2 Å²	21.2	27%	0.266	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	25.1	177.3	-60.8	0	0	0	0	116.4	G426 K459 K461	G426-S428 PolarHBondContact O-N 3.16Å; S428-K459 WeakPolarHBondContact O-CE 3.03Å; S428-K459 PolarHBondContact O-NZ 2.99Å; S428-K461 PolarHBondContact N-O 2.81Å
429	H	94.6	Very high	90.5	Very high	5 Å²	5	25.8 Å²	25.8	2%	0.023	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	150	-180	71.7	-88.8	0	0	0	115.8	S425 G426 K427 H431	S425-H429 WeakPolarHBondContact CA-O 3.18Å; G426-H429 PolarHBondContact N-O 3.46Å; G426-H429 VanDerWaalsContact N-O 3.08Å; K427-H429 PolarHBondContact O-N 3.42Å; K427-H429 VanDerWaalsContact O-N 3.07Å; K427-H429 PolarHBondContact O-ND1 3.04Å; H429-H431 AromaticContact CD2-CE1 3.74Å; H429-H431 AromaticContact CD2-ND1 3.5Å; H429-H431 AromaticContact CG-CE1 3.83Å
430	V	96.8	Very high	88.6	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.6	149.7	-168.2	0	0	0	0	106.6	V423 F432 G452 I463 T476 W486	V423-V430 HydrophobicContact CG1-CG1 4.02Å; V430-F432 HydrophobicContact CB-CE2 4.12Å; V430-F432 HydrophobicContact CB-CZ 4.46Å; V430-F432 HydrophobicContact CG1-CD2 4.39Å; V430-F432 HydrophobicContact CG1-CE1 4.41Å; V430-F432 HydrophobicContact CG1-CE2 3.64Å; V430-F432 HydrophobicContact CG1-CZ 3.66Å; V430-G452 PolarHBondContact O-N 3.05Å; V430-I463 HydrophobicContact CG2-CD1 3.44Å; V430-I463 VanDerWaalsContact CG2-CD1 3.44Å; V430-I463 HydrophobicContact CG2-CG2 4.14Å; V430-T476 HydrophobicContact CG2-CG2 4.29Å; V430-W486 HydrophobicContact CB-CZ2 4.45Å; V430-W486 HydrophobicContact CG2-CH2 4.38Å; V430-W486 HydrophobicContact CG2-CZ2 3.78Å
431	H	97.1	Very high	86.9	Confident	7 Å²	7	31.2 Å²	31.2	3%	0.032	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.8	174.4	-59.2	139.4	0	0	0	109.8	V423 T424 H429 W433 R449 K450	V423-H431 WeakPolarHBondContact CA-O 3.37Å; T424-H431 PolarHBondContact N-O 2.89Å; T424-H431 PolarHBondContact O-N 3.37Å; H429-H431 AromaticContact CD2-CE1 3.74Å; H429-H431 AromaticContact CD2-ND1 3.5Å; H429-H431 AromaticContact CG-CE1 3.83Å; H431-W433 HydrophobicContact CB-CZ2 4.15Å; H431-R449 HydrophobicContact CB-CG 4.04Å; H431-K450 WeakPolarHBondContact CA-O 3.29Å
432	F	96	Very high	85.3	Confident	2 Å²	2	35 Å²	35	1%	0.009	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.7	178.4	-54.2	-102	0	0	0	106.3	V423 V430 K450 I474 W486 Y505	V423-F432 HydrophobicContact CG2-CD1 4.02Å; V423-F432 HydrophobicContact CG2-CE1 4.4Å; V430-F432 HydrophobicContact CB-CE2 4.12Å; V430-F432 HydrophobicContact CB-CZ 4.46Å; V430-F432 HydrophobicContact CG1-CD2 4.39Å; V430-F432 HydrophobicContact CG1-CE1 4.41Å; V430-F432 HydrophobicContact CG1-CE2 3.64Å; V430-F432 HydrophobicContact CG1-CZ 3.66Å; F432-K450 HydrophobicContact CB-CB 4.33Å; F432-K450 PolarHBondContact N-O 2.89Å; F432-K450 WeakPolarHBondContact O-CB 3.4Å; F432-K450 PolarHBondContact O-N 2.88Å; F432-I474 HydrophobicContact CD1-CD1 4.13Å; F432-I474 HydrophobicContact CE1-CD1 3.68Å; F432-W486 HydrophobicContact CE2-CE3 4.32Å; F432-W486 HydrophobicContact CZ-CB 4.17Å; F432-W486 HydrophobicContact CZ-CD2 4.12Å; F432-W486 HydrophobicContact CZ-CE3 4.05Å; F432-W486 HydrophobicContact CZ-CG 4.21Å; F432-Y505 HydrophobicContact CB-CD2 3.56Å; F432-Y505 HydrophobicContact CB-CE2 3.63Å; F432-Y505 HydrophobicContact CB-CG 4.26Å; F432-Y505 AromaticContact CD1-CD1 3.56Å; F432-Y505 HydrophobicContact CD1-CD1 3.56Å; F432-Y505 AromaticContact CD1-CD2 3.63Å; F432-Y505 HydrophobicContact CD1-CD2 3.63Å; F432-Y505 AromaticContact CD1-CE1 3.81Å; F432-Y505 HydrophobicContact CD1-CE1 3.81Å; F432-Y505 AromaticContact CD1-CE2 3.88Å; F432-Y505 HydrophobicContact CD1-CE2 3.88Å; F432-Y505 AromaticContact CD1-CG 3.45Å; F432-Y505 HydrophobicContact CD1-CG 3.45Å; F432-Y505 VanDerWaalsContact CD1-CG 3.45Å; F432-Y505 AromaticContact CD1-CZ 3.97Å; F432-Y505 AromaticContact CD2-CD2 3.85Å; F432-Y505 HydrophobicContact CD2-CD2 3.85Å; F432-Y505 AromaticContact CD2-CG 3.84Å; F432-Y505 HydrophobicContact CD2-CG 3.84Å; F432-Y505 AromaticContact CE1-CD1 3.52Å; F432-Y505 HydrophobicContact CE1-CD1 3.52Å; F432-Y505 HydrophobicContact CE1-CD2 4.27Å; F432-Y505 HydrophobicContact CE1-CE1 4.1Å; F432-Y505 AromaticContact CE1-CG 3.61Å; F432-Y505 HydrophobicContact CE1-CG 3.61Å; F432-Y505 VanDerWaalsContact CE2-CB 3.47Å; F432-Y505 HydrophobicContact CE2-CD2 4.48Å; F432-Y505 HydrophobicContact CE2-CG 4.01Å; F432-Y505 HydrophobicContact CG-CD1 4.18Å; F432-Y505 AromaticContact CG-CD2 3.39Å; F432-Y505 HydrophobicContact CG-CD2 3.39Å; F432-Y505 AromaticContact CG-CE2 3.84Å; F432-Y505 HydrophobicContact CG-CE2 3.84Å; F432-Y505 AromaticContact CG-CG 3.58Å; F432-Y505 HydrophobicContact CG-CG 3.58Å; F432-Y505 HydrophobicContact CZ-CD1 4.14Å; F432-Y505 AromaticContact CZ-CG 3.91Å; F432-Y505 HydrophobicContact CZ-CG 3.91Å
433	W	96.1	Very high	83.7	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129	-172.7	-58.2	90.9	0	0	0	109.2	L388 I402 S404 C421 I422 T424 H431 L447 T448 R449	L388-W433 HydrophobicContact CD2-CB 4.38Å; L388-W433 HydrophobicContact CD2-CD2 3.59Å; L388-W433 HydrophobicContact CD2-CE3 4.17Å; L388-W433 HydrophobicContact CD2-CG 3.68Å; L388-W433 HydrophobicContact CD2-CZ2 4.25Å; I402-W433 HydrophobicContact CD1-CZ3 4.26Å; I402-W433 HydrophobicContact CG2-CE3 4.06Å; I402-W433 HydrophobicContact CG2-CH2 3.8Å; I402-W433 HydrophobicContact CG2-CZ3 3.39Å; S404-W433 WeakPolarHBondContact OG-CZ2 3.05Å; C421-W433 WeakPolarHBondContact CA-O 3.49Å; I422-W433 HydrophobicContact CB-CB 4.18Å; I422-W433 PolarHBondContact N-O 3.47Å; I422-W433 WeakPolarHBondContact O-CB 3.48Å; I422-W433 PolarHBondContact O-N 2.9Å; T424-W433 PolarHBondContact OG1-NE1 3.2Å; H431-W433 HydrophobicContact CB-CZ2 4.15Å; W433-L447 HydrophobicContact CB-CD2 4.23Å; W433-L447 HydrophobicContact CE3-CB 4.48Å; W433-L447 HydrophobicContact CE3-CD2 4.38Å; W433-T448 WeakPolarHBondContact CA-O 3.43Å; W433-R449 HydrophobicContact CD2-CB 4.39Å; W433-R449 HydrophobicContact CD2-CG 4.23Å; W433-R449 HydrophobicContact CE3-CB 3.77Å; W433-R449 HydrophobicContact CE3-CG 4.07Å; W433-R449 HydrophobicContact CH2-CB 3.94Å; W433-R449 VanDerWaalsContact CH2-CD 3.43Å; W433-R449 HydrophobicContact CH2-CG 3.78Å; W433-R449 HydrophobicContact CZ2-CB 4.49Å; W433-R449 HydrophobicContact CZ2-CG 3.9Å; W433-R449 HydrophobicContact CZ3-CB 3.52Å; W433-R449 HydrophobicContact CZ3-CG 3.85Å
434	N	94.2	Very high	82.6	Confident	71 Å²	71	42.4 Å²	42.4	38%	0.38	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.5	164.9	-166.6	125.4	0	0	0	107.7	S420 T448	S420-N434 CarbonylContact O-C 3.52Å; S420-N434 VanDerWaalsContact O-CA 3.31Å; S420-N434 WeakPolarHBondContact O-CA 3.45Å; N434-T448 PolarHBondContact N-O 2.85Å; N434-T448 PolarHBondContact O-N 2.9Å; N434-T448 PolarHBondContact O-OG1 2.9Å
435	W	93.6	Very high	81.8	Confident	16 Å²	16	43 Å²	43	6%	0.061	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	161.6	175.3	82.8	-78.6	0	0	0	112.7	F376 V390 L399 A400 F414 S419 S420 I422 T446 L447	F376-W435 HydrophobicContact CD1-CH2 4.18Å; F376-W435 HydrophobicContact CD2-CH2 4.04Å; F376-W435 AromaticContact CD2-CZ2 3.7Å; F376-W435 HydrophobicContact CD2-CZ2 3.7Å; F376-W435 HydrophobicContact CE1-CH2 4.21Å; F376-W435 HydrophobicContact CE2-CH2 4.07Å; F376-W435 AromaticContact CE2-CZ2 3.98Å; F376-W435 HydrophobicContact CE2-CZ2 3.98Å; F376-W435 HydrophobicContact CG-CH2 4.1Å; F376-W435 HydrophobicContact CG-CZ2 4.02Å; F376-W435 HydrophobicContact CZ-CH2 4.16Å; V390-W435 HydrophobicContact CB-CE3 4.41Å; V390-W435 HydrophobicContact CG1-CD2 4.11Å; V390-W435 HydrophobicContact CG1-CE3 4.09Å; V390-W435 HydrophobicContact CG1-CH2 3.87Å; V390-W435 HydrophobicContact CG1-CZ2 3.88Å; V390-W435 HydrophobicContact CG1-CZ3 3.96Å; V390-W435 HydrophobicContact CG2-CD2 4.35Å; V390-W435 HydrophobicContact CG2-CG 4.42Å; L399-W435 HydrophobicContact CB-CZ3 4.09Å; L399-W435 HydrophobicContact CD1-CH2 3.84Å; L399-W435 HydrophobicContact CD1-CZ3 3.95Å; A400-W435 HydrophobicContact CB-CE3 4.4Å; F414-W435 AromaticContact CE1-NE1 3.75Å; S419-W435 PolarHBondContact O-NE1 2.89Å; S420-W435 VanDerWaalsContact O-CD1 3.25Å; S420-W435 PolarHBondContact O-N 2.8Å; I422-W435 HydrophobicContact CD1-CG 4.36Å; W435-T446 CarbonylContact C-O 3.44Å; W435-T446 WeakPolarHBondContact CA-O 3.4Å; W435-T446 WeakPolarHBondContact CB-O 3.34Å; W435-L447 HydrophobicContact CB-CD2 3.57Å; W435-L447 HydrophobicContact CB-CG 3.91Å
436	S	88.1	Confident	81.4	Confident	57 Å²	57	46.7 Å²	46.7	40%	0.399	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	135.4	170.3	57.7	0	0	0	0	110.1	G445 T446	S436-G445 CarbonylContact O-C 3.4Å; S436-G445 WeakPolarHBondContact O-CA 3.36Å; S436-T446 PolarHBondContact N-O 3.11Å; S436-T446 PolarHBondContact O-N 3.4Å; S436-T446 PolarHBondContact OG-OG1 3.04Å
437	G	76.3	Confident	81.2	Confident	42 Å²	42	47.4 Å²	47.4	43%	0.433	32%	0.318	S	S	.	.			trans	-70.3	130.6	176.9	0	0	0	0	0	111.8	V439	G437-V439 PolarHBondContact O-N 2.86Å
438	G	61.9	Low	81.1	Confident	22 Å²	22	47.3 Å²	47.3	23%	0.227	32%	0.324	C	S	.	.			trans	-68	114.7	173.9	0	0	0	0	0	110.7	G440	G438-G440 PolarHBondContact O-N 2.83Å
439	V	52.8	Low	81.2	Confident	143 Å²	143	52 Å²	52	87%	0.867	34%	0.336	S	S	*	.	S	Bend	trans	-67.8	123.6	179.1	-177.4	0	0	0	0	109.7	G437 V441	G437-V439 PolarHBondContact O-N 2.86Å; V439-V441 VanDerWaalsContact C-N 3.31Å; V439-V441 PolarHBondContact O-N 2.72Å
440	G	52	Low	81.2	Confident	79 Å²	79	54.3 Å²	54.3	81%	0.814	35%	0.346	S	S	*	.	S	Bend	trans	80.9	-14.3	170.2	0	0	0	0	0	117.2	G438	G438-G440 PolarHBondContact O-N 2.83Å
441	V	54.7	Low	81	Confident	88 Å²	88	59.5 Å²	59.5	53%	0.533	37%	0.37	S	S	.	.	S	Bend	trans	-134.7	123.3	-178	-171.6	0	0	0	0	111.4	V439 N444	V439-V441 VanDerWaalsContact C-N 3.31Å; V439-V441 PolarHBondContact O-N 2.72Å; V441-N444 HydrophobicContact CB-CB 4.31Å
442	P	60.9	Low	80.8	Confident	84 Å²	84	59.5 Å²	59.5	55%	0.545	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	144.9	171.5	-28.9	37.2	0	0	0	113.5	V397 N444	V397-P442 HydrophobicContact CG1-CB 3.73Å; V397-P442 HydrophobicContact CG1-CG 3.94Å; P442-N444 PolarHBondContact O-N 2.85Å; P442-N444 VanDerWaalsContact O-N 3.12Å
443	G	63.6	Low	80.7	Confident	46 Å²	46	62.9 Å²	62.9	47%	0.474	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	-5.1	176.2	0	0	0	0	0	116.9	K398 L399 G445	K398-G443 PolarHBondContact O-N 2.81Å; L399-G443 CarbonylContact O-C 3.56Å; L399-G443 WeakPolarHBondContact O-CA 3.3Å; G443-G445 VanDerWaalsContact C-N 3.3Å; G443-G445 PolarHBondContact O-N 2.79Å
444	N	73.4	Confident	80.5	Confident	111 Å²	111	64 Å²	64	59%	0.594	40%	0.397	S	S	*	.			trans	-90.1	15.4	-179.9	-164	41	0	0	0	113.7	V441 P442	V441-N444 HydrophobicContact CB-CB 4.31Å; P442-N444 PolarHBondContact O-N 2.85Å; P442-N444 VanDerWaalsContact O-N 3.12Å
445	G	82.4	Confident	80.3	Confident	11 Å²	11	63.8 Å²	63.8	11%	0.113	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-77.4	141.4	172.3	0	0	0	0	0	112	L399 A400 S436 G443	L399-G445 VanDerWaalsContact O-CA 3.26Å; L399-G445 WeakPolarHBondContact O-CA 3.2Å; L399-G445 PolarHBondContact O-N 2.9Å; A400-G445 WeakPolarHBondContact CB-O 3.48Å; S436-G445 CarbonylContact O-C 3.4Å; S436-G445 WeakPolarHBondContact O-CA 3.36Å; G443-G445 VanDerWaalsContact C-N 3.3Å; G443-G445 PolarHBondContact O-N 2.79Å
446	T	89.6	Confident	80.2	Confident	78 Å²	78	71.4 Å²	71.4	48%	0.479	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	146.1	-177.3	72.6	0	0	0	0	111.2	W435 S436	W435-T446 CarbonylContact C-O 3.44Å; W435-T446 WeakPolarHBondContact CA-O 3.4Å; W435-T446 WeakPolarHBondContact CB-O 3.34Å; S436-T446 PolarHBondContact N-O 3.11Å; S436-T446 PolarHBondContact O-N 3.4Å; S436-T446 PolarHBondContact OG-OG1 3.04Å
447	L	94.1	Very high	80.4	Confident	15 Å²	15	71 Å²	71	8%	0.079	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.3	173.9	-89.4	153.4	0	0	0	108.7	L388 A400 I402 W433 W435	L388-L447 HydrophobicContact CD2-CD2 4.09Å; A400-L447 HydrophobicContact CB-CD1 3.7Å; A400-L447 HydrophobicContact CB-CG 4.05Å; I402-L447 HydrophobicContact CB-CB 4.02Å; I402-L447 HydrophobicContact CB-CD1 4.16Å; I402-L447 HydrophobicContact CD1-CB 4.24Å; I402-L447 WeakPolarHBondContact CD1-O 3.42Å; I402-L447 HydrophobicContact CG2-CB 3.75Å; I402-L447 HydrophobicContact CG2-CD1 3.83Å; I402-L447 HydrophobicContact CG2-CG 4.29Å; W433-L447 HydrophobicContact CB-CD2 4.23Å; W433-L447 HydrophobicContact CE3-CB 4.48Å; W433-L447 HydrophobicContact CE3-CD2 4.38Å; W435-L447 HydrophobicContact CB-CD2 3.57Å; W435-L447 HydrophobicContact CB-CG 3.91Å
448	T	94.1	Very high	81	Confident	75 Å²	75	76 Å²	76	46%	0.46	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.3	-176.5	61.8	0	0	0	0	111.1	W433 N434	W433-T448 WeakPolarHBondContact CA-O 3.43Å; N434-T448 PolarHBondContact N-O 2.85Å; N434-T448 PolarHBondContact O-N 2.9Å; N434-T448 PolarHBondContact O-OG1 2.9Å
449	R	93.9	Very high	82.5	Confident	136 Å²	136	79.8 Å²	79.8	51%	0.513	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.8	-173.3	-164.4	175.4	63.5	-160	-3.7	112.4	S404 H431 W433	S404-R449 PolarHBondContact O-NH1 2.9Å; H431-R449 HydrophobicContact CB-CG 4.04Å; W433-R449 HydrophobicContact CD2-CB 4.39Å; W433-R449 HydrophobicContact CD2-CG 4.23Å; W433-R449 HydrophobicContact CE3-CB 3.77Å; W433-R449 HydrophobicContact CE3-CG 4.07Å; W433-R449 HydrophobicContact CH2-CB 3.94Å; W433-R449 VanDerWaalsContact CH2-CD 3.43Å; W433-R449 HydrophobicContact CH2-CG 3.78Å; W433-R449 HydrophobicContact CZ2-CB 4.49Å; W433-R449 HydrophobicContact CZ2-CG 3.9Å; W433-R449 HydrophobicContact CZ3-CB 3.52Å; W433-R449 HydrophobicContact CZ3-CG 3.85Å
450	K	93.4	Very high	84.5	Confident	54 Å²	54	73.1 Å²	73.1	24%	0.235	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.2	158.4	-58.5	179	-179.6	-170.4	0	108.6	H431 F432 E503 Y505	H431-K450 WeakPolarHBondContact CA-O 3.29Å; F432-K450 HydrophobicContact CB-CB 4.33Å; F432-K450 PolarHBondContact N-O 2.89Å; F432-K450 WeakPolarHBondContact O-CB 3.4Å; F432-K450 PolarHBondContact O-N 2.88Å; K450-E503 WeakPolarHBondContact CD-O 3.35Å; K450-E503 WeakPolarHBondContact CE-O 3.39Å; K450-E503 PolarHBondContact NZ-O 3.05Å; K450-E503 IonicContact NZ-OE2 3.86Å; K450-E503 PolarHBondContact NZ-OE2 3.47Å; K450-Y505 HydrophobicContact CD-CD2 4.31Å; K450-Y505 HydrophobicContact CD-CE2 4.18Å
451	Q	93.2	Very high	86.6	Confident	111 Å²	111	75.7 Å²	75.7	52%	0.519	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	139.6	177	-174.1	168.7	33.8	0	0	110.3	V453	Q451-V453 PolarHBondContact O-N 3.01Å
452	G	93.6	Very high	88.7	Confident	6 Å²	6	74.8 Å²	74.8	6%	0.062	39%	0.393	C	S	.	.			trans	-62.8	128.1	174.9	0	0	0	0	0	112.4	V430	V430-G452 PolarHBondContact O-N 3.05Å
453	V	93.8	Very high	90.4	Very high	74 Å²	74	70.8 Å²	70.8	45%	0.448	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-93.7	103.7	179.7	-176.4	0	0	0	0	110.1	Q451 G455 Y505	Q451-V453 PolarHBondContact O-N 3.01Å; V453-G455 VanDerWaalsContact C-N 3.27Å; V453-G455 PolarHBondContact O-N 2.82Å; V453-Y505 PolarHBondContact N-O 2.97Å
454	F	91.3	Very high	92	Very high	24 Å²	24	68.9 Å²	68.9	11%	0.105	35%	0.346	C	S	.	.			trans	-68.6	-23.4	176.6	-67.4	-94.2	0	0	0	113.3	K456 Y457 K459 P460 I463 L484 W486 I507	F454-K456 PolarHBondContact O-N 2.91Å; F454-K456 VanDerWaalsContact O-N 3.1Å; F454-Y457 WeakPolarHBondContact O-CB 3.3Å; F454-Y457 WeakPolarHBondContact O-CD2 3.46Å; F454-Y457 PolarHBondContact O-N 2.94Å; F454-K459 HydrophobicContact CD1-CG 4.48Å; F454-K459 HydrophobicContact CD2-CD 4.43Å; F454-K459 HydrophobicContact CD2-CG 4.14Å; F454-K459 HydrophobicContact CE1-CG 4.41Å; F454-K459 HydrophobicContact CE2-CD 4.38Å; F454-K459 HydrophobicContact CE2-CG 4.05Å; F454-K459 HydrophobicContact CG-CB 4.4Å; F454-K459 HydrophobicContact CG-CG 4.38Å; F454-K459 HydrophobicContact CZ-CG 4.2Å; F454-P460 VanDerWaalsContact CE1-CD 3.4Å; F454-P460 HydrophobicContact CE1-CG 4.16Å; F454-I463 HydrophobicContact CE1-CD1 3.99Å; F454-I463 HydrophobicContact CZ-CD1 3.69Å; F454-L484 HydrophobicContact CE1-CD1 4.28Å; F454-W486 AromaticContact CD1-CH2 3.93Å; F454-W486 HydrophobicContact CD1-CH2 3.93Å; F454-W486 HydrophobicContact CD1-CZ2 4.28Å; F454-W486 HydrophobicContact CD2-CH2 4.09Å; F454-W486 AromaticContact CE1-CH2 3.67Å; F454-W486 HydrophobicContact CE1-CH2 3.67Å; F454-W486 AromaticContact CE1-CZ2 3.72Å; F454-W486 HydrophobicContact CE1-CZ2 3.72Å; F454-W486 AromaticContact CE2-CH2 3.85Å; F454-W486 HydrophobicContact CE2-CH2 3.85Å; F454-W486 HydrophobicContact CG-CH2 4.12Å; F454-W486 AromaticContact CZ-CH2 3.63Å; F454-W486 HydrophobicContact CZ-CH2 3.63Å; F454-W486 AromaticContact CZ-CZ2 3.85Å; F454-W486 HydrophobicContact CZ-CZ2 3.85Å; F454-I507 HydrophobicContact CB-CD1 4.34Å; F454-I507 HydrophobicContact CD1-CD1 3.62Å; F454-I507 HydrophobicContact CE1-CD1 4.24Å; F454-I507 HydrophobicContact CG-CD1 4.27Å
455	G	89.8	Confident	93.2	Very high	68 Å²	68	64 Å²	64	70%	0.701	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	-114.6	176.2	0	0	0	0	0	112.7	V453	V453-G455 VanDerWaalsContact C-N 3.27Å; V453-G455 PolarHBondContact O-N 2.82Å
456	K	90.6	Very high	93.9	Very high	175 Å²	175	64.6 Å²	64.6	76%	0.761	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.1	178.3	68.2	-178.7	-178.9	-177.2	0	114.4	F454	F454-K456 PolarHBondContact O-N 2.91Å; F454-K456 VanDerWaalsContact O-N 3.1Å
457	Y	92.3	Very high	94.3	Very high	48 Å²	48	61.8 Å²	61.8	19%	0.188	30%	0.303	C	S	.	.	S	Bend	trans	-86.3	143.1	-171.8	-60.9	-79.1	0	0	0	111.4	F454 K459 I507 Q510	F454-Y457 WeakPolarHBondContact O-CB 3.3Å; F454-Y457 WeakPolarHBondContact O-CD2 3.46Å; F454-Y457 PolarHBondContact O-N 2.94Å; Y457-K459 PolarHBondContact O-N 3.32Å; Y457-I507 HydrophobicContact CD2-CB 3.62Å; Y457-I507 HydrophobicContact CD2-CD1 4Å; Y457-I507 HydrophobicContact CD2-CG1 4.39Å; Y457-I507 HydrophobicContact CD2-CG2 3.62Å; Y457-I507 HydrophobicContact CE2-CB 3.72Å; Y457-I507 HydrophobicContact CE2-CG2 3.46Å; Y457-I507 VanDerWaalsContact CE2-CG2 3.46Å; Y457-I507 HydrophobicContact CG-CD1 4.22Å; Y457-I507 HydrophobicContact CG-CG2 4.26Å; Y457-Q510 HydrophobicContact CD1-CB 4.24Å; Y457-Q510 HydrophobicContact CE1-CB 3.8Å
458	K	90.5	Very high	94.3	Very high	148 Å²	148	62.2 Å²	62.2	64%	0.643	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-61.4	126.4	176.5	177.2	-173.8	167.1	-166.3	0	109.2	P460 E480	K458-P460 WeakPolarHBondContact O-CD 2.87Å; K458-E480 WeakPolarHBondContact CE-OE2 3.14Å; K458-E480 IonicContact NZ-OE2 3.86Å; K458-E480 PolarHBondContact NZ-OE2 3.49Å
459	K	92.9	Very high	94.3	Very high	102 Å²	102	60.3 Å²	60.3	44%	0.443	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-69.6	120.2	174.4	-171.9	177.6	-179.2	-177	0	110.1	S428 F454 Y457	S428-K459 WeakPolarHBondContact O-CE 3.03Å; S428-K459 PolarHBondContact O-NZ 2.99Å; F454-K459 HydrophobicContact CD1-CG 4.48Å; F454-K459 HydrophobicContact CD2-CD 4.43Å; F454-K459 HydrophobicContact CD2-CG 4.14Å; F454-K459 HydrophobicContact CE1-CG 4.41Å; F454-K459 HydrophobicContact CE2-CD 4.38Å; F454-K459 HydrophobicContact CE2-CG 4.05Å; F454-K459 HydrophobicContact CG-CB 4.4Å; F454-K459 HydrophobicContact CG-CG 4.38Å; F454-K459 HydrophobicContact CZ-CG 4.2Å; Y457-K459 PolarHBondContact O-N 3.32Å
460	P	94.8	Very high	94	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.013	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-78.2	164.2	179.8	33.8	-36.4	0	0	0	111.8	F454 K458 I463 D478 E480	F454-P460 VanDerWaalsContact CE1-CD 3.4Å; F454-P460 HydrophobicContact CE1-CG 4.16Å; K458-P460 WeakPolarHBondContact O-CD 2.87Å; P460-I463 HydrophobicContact CG-CD1 3.77Å; P460-I463 HydrophobicContact CG-CG1 3.66Å; P460-D478 HydrophobicContact CB-CB 3.69Å; P460-D478 HydrophobicContact CG-CB 3.7Å; P460-E480 HydrophobicContact CB-CG 4.02Å
461	K	96.6	Very high	93.6	Very high	134 Å²	134	60.1 Å²	60.1	58%	0.583	31%	0.307	S	S	*	.	S	Bend	trans	-76.5	-37.4	-177.8	-172.4	-177.5	177.3	-178.1	0	112.5	S428 S479	S428-K461 PolarHBondContact N-O 2.81Å; K461-S479 PolarHBondContact N-OG 2.74Å
462	F	97.4	Very high	93.2	Very high	69 Å²	69	56 Å²	56	30%	0.303	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-138.2	151.6	174.5	-57.5	-84.2	0	0	0	110.6	L410 K427 D478 S479	L410-F462 HydrophobicContact CD1-CB 4.26Å; L410-F462 HydrophobicContact CD1-CD1 4.06Å; K427-F462 HydrophobicContact CB-CD1 3.69Å; K427-F462 HydrophobicContact CB-CE1 3.75Å; K427-F462 HydrophobicContact CD-CE1 4.2Å; K427-F462 HydrophobicContact CG-CD1 4.05Å; K427-F462 HydrophobicContact CG-CE1 3.77Å; F462-D478 CarbonylContact O-C 3.49Å; F462-S479 PolarHBondContact N-OG 3.49Å; F462-S479 PolarHBondContact O-N 2.99Å
463	I	97.9	Very high	93.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.303	C	S	.	.			trans	-130.3	81.5	171.5	-59.1	177.5	0	0	0	106.4	S425 G426 V430 F454 P460 T476 G477 D478	S425-I463 CarbonylContact C-O 3.57Å; S425-I463 VanDerWaalsContact CB-O 3.31Å; S425-I463 WeakPolarHBondContact CB-O 3.4Å; S425-I463 PolarHBondContact OG-O 2.88Å; G426-I463 PolarHBondContact N-O 2.93Å; G426-I463 PolarHBondContact O-N 3.25Å; V430-I463 HydrophobicContact CG2-CD1 3.44Å; V430-I463 VanDerWaalsContact CG2-CD1 3.44Å; V430-I463 HydrophobicContact CG2-CG2 4.14Å; F454-I463 HydrophobicContact CE1-CD1 3.99Å; F454-I463 HydrophobicContact CZ-CD1 3.69Å; P460-I463 HydrophobicContact CG-CD1 3.77Å; P460-I463 HydrophobicContact CG-CG1 3.66Å; I463-T476 HydrophobicContact CG2-CG2 4.1Å; I463-G477 WeakPolarHBondContact CA-O 2.85Å; I463-G477 WeakPolarHBondContact CG2-O 3.17Å; I463-D478 HydrophobicContact CG1-CB 4.35Å
464	P	96.8	Very high	93.2	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.032	28%	0.282	C	S	.	.			trans	-77.5	-18.8	-167.5	31.5	-39.3	0	0	0	115.1	L410 G477 I518 F519	L410-P464 HydrophobicContact CB-CB 4.5Å; L410-P464 HydrophobicContact CD1-CB 3.87Å; P464-G477 WeakPolarHBondContact CD-O 3.24Å; P464-I518 WeakPolarHBondContact CG-O 3.43Å; P464-F519 HydrophobicContact CG-CD1 4.27Å
465	C	97.5	Very high	93.5	Very high	8 Å²	8	53.3 Å²	53.3	5%	0.054	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.1	-175.2	62.8	0	0	0	0	112.5	T476 G477 F519	C465-T476 WeakPolarHBondContact O-CA 3.1Å; C465-G477 PolarHBondContact O-N 2.84Å; C465-F519 WeakPolarHBondContact CB-O 3.27Å
466	F	98	Very high	93.9	Very high	25 Å²	25	50.1 Å²	50.1	11%	0.11	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	159.3	173.3	67.5	-92.8	0	0	0	111.9	A411 V423 S425 F468 I474 L475 T476	A411-F466 HydrophobicContact CB-CD1 3.9Å; A411-F466 HydrophobicContact CB-CE1 3.62Å; V423-F466 HydrophobicContact CB-CD2 4.44Å; V423-F466 HydrophobicContact CB-CE1 4.43Å; V423-F466 HydrophobicContact CB-CE2 3.68Å; V423-F466 HydrophobicContact CB-CZ 3.67Å; V423-F466 HydrophobicContact CG1-CD1 4.31Å; V423-F466 HydrophobicContact CG1-CD2 4.1Å; V423-F466 HydrophobicContact CG1-CE1 3.95Å; V423-F466 HydrophobicContact CG1-CE2 3.74Å; V423-F466 HydrophobicContact CG1-CG 4.38Å; V423-F466 HydrophobicContact CG1-CZ 3.65Å; V423-F466 WeakPolarHBondContact O-CZ 3.49Å; S425-F466 WeakPolarHBondContact OG-CD1 3.19Å; F466-F468 HydrophobicContact CD2-CE2 4.28Å; F466-F468 HydrophobicContact CE2-CD2 4.39Å; F466-F468 AromaticContact CE2-CE2 3.64Å; F466-F468 HydrophobicContact CE2-CE2 3.64Å; F466-F468 AromaticContact CE2-CZ 3.9Å; F466-F468 HydrophobicContact CE2-CZ 3.9Å; F466-I474 HydrophobicContact CB-CG2 4.29Å; F466-I474 HydrophobicContact CD2-CG2 4.27Å; F466-L475 CarbonylContact C-O 3.52Å; F466-L475 WeakPolarHBondContact CA-O 3.39Å; F466-L475 VanDerWaalsContact CB-O 3.24Å; F466-L475 WeakPolarHBondContact CB-O 3.48Å; F466-T476 HydrophobicContact CB-CG2 3.79Å
467	V	97.1	Very high	94.3	Very high	18 Å²	18	41.8 Å²	41.8	11%	0.109	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.2	171.1	-66.9	0	0	0	0	110.4	I474 L475 L521 V529	V467-I474 WeakPolarHBondContact O-CA 3.41Å; V467-L475 HydrophobicContact CG2-CB 3.95Å; V467-L475 HydrophobicContact CG2-CD1 4.34Å; V467-L475 HydrophobicContact CG2-CG 4.5Å; V467-L475 PolarHBondContact N-O 2.77Å; V467-L475 PolarHBondContact O-N 3.05Å; V467-L521 HydrophobicContact CG1-CB 3.87Å; V467-L521 WeakPolarHBondContact CG1-O 3.45Å; V467-L521 HydrophobicContact CG2-CB 4.2Å; V467-V529 HydrophobicContact CG2-CG1 4.33Å
468	F	95.7	Very high	94.5	Very high	25 Å²	25	39.5 Å²	39.5	11%	0.11	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.5	170.2	-60.6	-93.1	0	0	0	109.3	F414 N415 P416 V423 F466 I474 L523	F414-F468 VanDerWaalsContact C-CZ 3.47Å; F414-F468 WeakPolarHBondContact O-CE2 3.46Å; F414-F468 WeakPolarHBondContact O-CZ 3.5Å; N415-F468 HydrophobicContact CB-CD1 4.09Å; N415-F468 HydrophobicContact CB-CE1 3.71Å; N415-F468 HydrophobicContact CB-CZ 4.26Å; P416-F468 VanDerWaalsContact CD-CG 3.45Å; P416-F468 HydrophobicContact CG-CB 4.04Å; P416-F468 HydrophobicContact CG-CD2 4.23Å; P416-F468 HydrophobicContact CG-CG 4.27Å; V423-F468 HydrophobicContact CB-CE1 4.49Å; V423-F468 HydrophobicContact CB-CZ 4.01Å; V423-F468 HydrophobicContact CG2-CE1 3.64Å; V423-F468 HydrophobicContact CG2-CZ 3.62Å; F466-F468 HydrophobicContact CD2-CE2 4.28Å; F466-F468 HydrophobicContact CE2-CD2 4.39Å; F466-F468 AromaticContact CE2-CE2 3.64Å; F466-F468 HydrophobicContact CE2-CE2 3.64Å; F466-F468 AromaticContact CE2-CZ 3.9Å; F466-F468 HydrophobicContact CE2-CZ 3.9Å; F468-I474 HydrophobicContact CD1-CD1 3.85Å; F468-I474 HydrophobicContact CD1-CG1 3.43Å; F468-I474 VanDerWaalsContact CD1-CG1 3.43Å; F468-I474 HydrophobicContact CE1-CD1 3.72Å; F468-I474 HydrophobicContact CE1-CG1 3.78Å; F468-I474 HydrophobicContact CG-CG1 4.24Å; F468-L523 WeakPolarHBondContact O-CD2 3.02Å
469	L	93.3	Very high	94.9	Very high	34 Å²	34	33.4 Å²	33.4	18%	0.178	18%	0.175	C	C	.	.			trans	-92	160.5	177.5	-69.6	-178.2	0	0	0	112.7	D471 G472 D473 L475 L523 V529	L469-D471 WeakPolarHBondContact CB-OD1 3.34Å; L469-D471 PolarHBondContact O-N 2.55Å; L469-D471 VanDerWaalsContact O-N 3.14Å; L469-G472 PolarHBondContact O-N 2.92Å; L469-G472 VanDerWaalsContact O-N 3.11Å; L469-D473 PolarHBondContact N-O 3.05Å; L469-L475 HydrophobicContact CD1-CD1 4.19Å; L469-L475 HydrophobicContact CD1-CD2 4.02Å; L469-L475 HydrophobicContact CD1-CG 3.85Å; L469-L475 HydrophobicContact CD2-CD1 3.87Å; L469-L475 HydrophobicContact CD2-CG 4.14Å; L469-L475 HydrophobicContact CG-CD1 4.27Å; L469-L475 HydrophobicContact CG-CG 3.98Å; L469-L523 HydrophobicContact CD2-CD1 4.16Å; L469-V529 HydrophobicContact CD2-CG2 3.92Å
470	P	88.2	Confident	95	Very high	75 Å²	75	31.8 Å²	31.8	49%	0.487	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-1.7	177	-21.9	34.9	0	0	0	116.2	R417 L523	R417-P470 PolarHBondContact NH1-O 3.3Å; R417-P470 PolarHBondContact NH2-O 3.48Å; P470-L523 HydrophobicContact CG-CD2 4.25Å
471	D	85	Confident	95.2	Very high	111 Å²	111	31.7 Å²	31.7	59%	0.594	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-29.7	169.2	45.1	30.3	0	0	0	112.1	L469 D473	L469-D471 WeakPolarHBondContact CB-OD1 3.34Å; L469-D471 PolarHBondContact O-N 2.55Å; L469-D471 VanDerWaalsContact O-N 3.14Å; D471-D473 PolarHBondContact OD1-N 3.49Å
472	G	83.8	Confident	95.2	Very high	26 Å²	26	26.2 Å²	26.2	27%	0.268	15%	0.146	S	C	.	.	S	Bend	trans	115.9	-5.3	-176.7	0	0	0	0	0	114.1	L469	L469-G472 PolarHBondContact O-N 2.92Å; L469-G472 VanDerWaalsContact O-N 3.11Å
473	D	91.5	Very high	95.3	Very high	43 Å²	43	23 Å²	23	23%	0.23	13%	0.131	C	C	.	.			trans	-73.1	163.5	169.8	-87.5	19.1	0	0	0	110.6	L469 D471 T485 G487	L469-D473 PolarHBondContact N-O 3.05Å; D471-D473 PolarHBondContact OD1-N 3.49Å; D473-T485 HydrophobicContact CB-CG2 4.19Å; D473-G487 VanDerWaalsContact OD1-CA 3.25Å; D473-G487 WeakPolarHBondContact OD1-CA 3.36Å
474	I	96.3	Very high	95.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.5	-176.3	-68.8	148.1	0	0	0	109.5	V423 F432 F466 V467 F468 T476 W486	V423-I474 HydrophobicContact CG2-CD1 3.8Å; F432-I474 HydrophobicContact CD1-CD1 4.13Å; F432-I474 HydrophobicContact CE1-CD1 3.68Å; F466-I474 HydrophobicContact CB-CG2 4.29Å; F466-I474 HydrophobicContact CD2-CG2 4.27Å; V467-I474 WeakPolarHBondContact O-CA 3.41Å; F468-I474 HydrophobicContact CD1-CD1 3.85Å; F468-I474 HydrophobicContact CD1-CG1 3.43Å; F468-I474 VanDerWaalsContact CD1-CG1 3.43Å; F468-I474 HydrophobicContact CE1-CD1 3.72Å; F468-I474 HydrophobicContact CE1-CG1 3.78Å; F468-I474 HydrophobicContact CG-CG1 4.24Å; I474-T476 HydrophobicContact CG2-CG2 4.13Å; I474-W486 HydrophobicContact CB-CB 4.33Å; I474-W486 PolarHBondContact N-O 3.1Å; I474-W486 PolarHBondContact O-N 2.88Å
475	L	97.7	Very high	95.2	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131	169.6	-60.4	-178.3	0	0	0	109.6	F466 V467 L469 I483 L484 T485 L521 V529 L546	F466-L475 CarbonylContact C-O 3.52Å; F466-L475 WeakPolarHBondContact CA-O 3.39Å; F466-L475 VanDerWaalsContact CB-O 3.24Å; F466-L475 WeakPolarHBondContact CB-O 3.48Å; V467-L475 HydrophobicContact CG2-CB 3.95Å; V467-L475 HydrophobicContact CG2-CD1 4.34Å; V467-L475 HydrophobicContact CG2-CG 4.5Å; V467-L475 PolarHBondContact N-O 2.77Å; V467-L475 PolarHBondContact O-N 3.05Å; L469-L475 HydrophobicContact CD1-CD1 4.19Å; L469-L475 HydrophobicContact CD1-CD2 4.02Å; L469-L475 HydrophobicContact CD1-CG 3.85Å; L469-L475 HydrophobicContact CD2-CD1 3.87Å; L469-L475 HydrophobicContact CD2-CG 4.14Å; L469-L475 HydrophobicContact CG-CD1 4.27Å; L469-L475 HydrophobicContact CG-CG 3.98Å; L475-I483 HydrophobicContact CB-CG2 4.1Å; L475-I483 HydrophobicContact CD1-CG2 4.3Å; L475-I483 HydrophobicContact CD2-CG2 4.01Å; L475-I483 HydrophobicContact CG-CG2 4.37Å; L475-L484 WeakPolarHBondContact CA-O 3.45Å; L475-T485 HydrophobicContact CD2-CG2 3.93Å; L475-T485 VanDerWaalsContact CD2-OG1 3.27Å; L475-T485 WeakPolarHBondContact CD2-OG1 3.48Å; L475-L521 HydrophobicContact CB-CD1 4.22Å; L475-V529 HydrophobicContact CD1-CB 4.35Å; L475-V529 HydrophobicContact CD1-CG1 4.08Å; L475-V529 HydrophobicContact CD1-CG2 3.92Å; L475-L546 HydrophobicContact CD1-CD2 3.91Å; L475-L546 HydrophobicContact CD2-CD1 4.33Å; L475-L546 HydrophobicContact CD2-CD2 4.27Å
476	T	98.3	Very high	95.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.8	171.1	68.7	0	0	0	0	111	V430 I463 C465 F466 I474 L484 W486	V430-T476 HydrophobicContact CG2-CG2 4.29Å; I463-T476 HydrophobicContact CG2-CG2 4.1Å; C465-T476 WeakPolarHBondContact O-CA 3.1Å; F466-T476 HydrophobicContact CB-CG2 3.79Å; I474-T476 HydrophobicContact CG2-CG2 4.13Å; T476-L484 PolarHBondContact N-O 2.92Å; T476-L484 PolarHBondContact O-N 3.44Å; T476-W486 VanDerWaalsContact CG2-NE1 3.26Å; T476-W486 PolarHBondContact OG1-NE1 3.39Å
477	G	98	Very high	94.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	137.3	169.7	0	0	0	0	0	110.7	I463 P464 C465 L521	I463-G477 WeakPolarHBondContact CA-O 2.85Å; I463-G477 WeakPolarHBondContact CG2-O 3.17Å; P464-G477 WeakPolarHBondContact CD-O 3.24Å; C465-G477 PolarHBondContact O-N 2.84Å; G477-L521 VanDerWaalsContact N-CD1 3.33Å
478	D	97.8	Very high	94.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.146	C	C	.	.			trans	-114.6	172.7	-176.1	87.1	7.8	0	0	0	115.2	P460 F462 I463 E480 G481 N482 L484 S517 I518	P460-D478 HydrophobicContact CB-CB 3.69Å; P460-D478 HydrophobicContact CG-CB 3.7Å; F462-D478 CarbonylContact O-C 3.49Å; I463-D478 HydrophobicContact CG1-CB 4.35Å; D478-E480 VanDerWaalsContact C-N 3.26Å; D478-E480 PolarHBondContact O-N 2.89Å; D478-E480 WeakPolarHBondContact OD1-CA 3.31Å; D478-E480 PolarHBondContact OD1-N 3.34Å; D478-G481 PolarHBondContact OD1-N 2.91Å; D478-N482 PolarHBondContact N-O 2.85Å; D478-N482 PolarHBondContact OD1-N 2.85Å; D478-N482 PolarHBondContact OD1-ND2 3.36Å; D478-N482 WeakPolarHBondContact OD2-CB 3.31Å; D478-N482 PolarHBondContact OD2-ND2 2.94Å; D478-L484 HydrophobicContact CB-CD1 4.49Å; D478-S517 VanDerWaalsContact O-CA 3.32Å; D478-S517 WeakPolarHBondContact O-CA 3.31Å; D478-I518 PolarHBondContact O-N 3.18Å
479	S	97.4	Very high	92.9	Very high	19 Å²	19	29 Å²	29	13%	0.133	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.9	-179.8	62.5	0	0	0	0	115.6	K461 F462 S517	K461-S479 PolarHBondContact N-OG 2.74Å; F462-S479 PolarHBondContact N-OG 3.49Å; F462-S479 PolarHBondContact O-N 2.99Å; S479-S517 PolarHBondContact O-N 3.38Å
480	E	96.9	Very high	91.2	Very high	69 Å²	69	31.6 Å²	31.6	32%	0.322	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-3.7	-175.2	-40.9	-67.6	107.7	0	0	111.7	K458 P460 D478	K458-E480 WeakPolarHBondContact CE-OE2 3.14Å; K458-E480 IonicContact NZ-OE2 3.86Å; K458-E480 PolarHBondContact NZ-OE2 3.49Å; P460-E480 HydrophobicContact CB-CG 4.02Å; D478-E480 VanDerWaalsContact C-N 3.26Å; D478-E480 PolarHBondContact O-N 2.89Å; D478-E480 WeakPolarHBondContact OD1-CA 3.31Å; D478-E480 PolarHBondContact OD1-N 3.34Å
481	G	97.4	Very high	89.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	97.5	18.9	177.6	0	0	0	0	0	115.3	D478 H512 A513 H514 G516	D478-G481 PolarHBondContact OD1-N 2.91Å; G481-H512 PolarHBondContact O-ND1 3.35Å; G481-A513 PolarHBondContact O-N 2.89Å; G481-H514 WeakPolarHBondContact CA-O 3.36Å; G481-H514 PolarHBondContact O-N 2.86Å; G481-G516 WeakPolarHBondContact CA-O 3.48Å; G481-G516 PolarHBondContact N-O 2.81Å
482	N	97.7	Very high	87.5	Confident	19 Å²	19	30.1 Å²	30.1	10%	0.102	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.9	-179.2	-45.7	-67.1	0	0	0	112.6	D478 L484 Q510 A511 H512 I518	D478-N482 PolarHBondContact N-O 2.85Å; D478-N482 PolarHBondContact OD1-N 2.85Å; D478-N482 PolarHBondContact OD1-ND2 3.36Å; D478-N482 WeakPolarHBondContact OD2-CB 3.31Å; D478-N482 PolarHBondContact OD2-ND2 2.94Å; N482-L484 HydrophobicContact CB-CD2 4.01Å; N482-L484 HydrophobicContact CB-CG 4.49Å; N482-Q510 HydrophobicContact CB-CG 4.13Å; N482-Q510 PolarHBondContact OD1-NE2 3.35Å; N482-A511 CarbonylContact C-O 3.35Å; N482-A511 VanDerWaalsContact CA-O 3.28Å; N482-A511 WeakPolarHBondContact CA-O 3.4Å; N482-H512 PolarHBondContact OD1-ND1 2.79Å; N482-H512 VanDerWaalsContact OD1-ND1 3.09Å; N482-I518 VanDerWaalsContact C-CD1 3.48Å; N482-I518 WeakPolarHBondContact O-CD1 3.41Å
483	I	98.1	Very high	85.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.2	160.2	-57.2	175.2	0	0	0	106.9	L475 Q510 A511 A513 I518 L521 W542 L546	L475-I483 HydrophobicContact CB-CG2 4.1Å; L475-I483 HydrophobicContact CD1-CG2 4.3Å; L475-I483 HydrophobicContact CD2-CG2 4.01Å; L475-I483 HydrophobicContact CG-CG2 4.37Å; I483-Q510 WeakPolarHBondContact O-CA 3.41Å; I483-A511 PolarHBondContact N-O 3.24Å; I483-A511 PolarHBondContact O-N 2.77Å; I483-A513 HydrophobicContact CD1-CB 3.94Å; I483-A513 HydrophobicContact CG1-CB 3.92Å; I483-I518 HydrophobicContact CG1-CD1 3.54Å; I483-L521 HydrophobicContact CD1-CD2 4.28Å; I483-L521 HydrophobicContact CG1-CD2 4.44Å; I483-W542 HydrophobicContact CD1-CD2 4.17Å; I483-W542 HydrophobicContact CD1-CG 4.3Å; I483-W542 HydrophobicContact CD1-CZ2 4.32Å; I483-L546 HydrophobicContact CB-CD1 4.13Å; I483-L546 HydrophobicContact CD1-CD2 4.44Å; I483-L546 HydrophobicContact CG2-CD1 3.73Å; I483-L546 HydrophobicContact CG2-CD2 4.07Å
484	L	97	Very high	83.5	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.9	178.6	-51.2	173.4	0	0	0	109.2	F454 L475 T476 D478 N482 W486 I507 Q510	F454-L484 HydrophobicContact CE1-CD1 4.28Å; L475-L484 WeakPolarHBondContact CA-O 3.45Å; T476-L484 PolarHBondContact N-O 2.92Å; T476-L484 PolarHBondContact O-N 3.44Å; D478-L484 HydrophobicContact CB-CD1 4.49Å; N482-L484 HydrophobicContact CB-CD2 4.01Å; N482-L484 HydrophobicContact CB-CG 4.49Å; L484-W486 HydrophobicContact CD1-CZ2 4.39Å; L484-W486 VanDerWaalsContact O-CD1 3.31Å; L484-I507 HydrophobicContact CB-CD1 4.39Å; L484-I507 HydrophobicContact CB-CG2 4.41Å; L484-I507 HydrophobicContact CD1-CD1 3.97Å; L484-I507 HydrophobicContact CD2-CD1 4.39Å; L484-I507 HydrophobicContact CG-CD1 4.48Å; L484-Q510 HydrophobicContact CD2-CB 3.89Å; L484-Q510 HydrophobicContact CD2-CG 3.72Å
485	T	96	Very high	81	Confident	16 Å²	16	45.6 Å²	45.6	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.6	175.7	-48.1	0	0	0	0	109.8	D473 L475 I507 V508 A509	D473-T485 HydrophobicContact CB-CG2 4.19Å; L475-T485 HydrophobicContact CD2-CG2 3.93Å; L475-T485 VanDerWaalsContact CD2-OG1 3.27Å; L475-T485 WeakPolarHBondContact CD2-OG1 3.48Å; T485-I507 CarbonylContact O-C 3.6Å; T485-I507 VanDerWaalsContact O-CA 3.29Å; T485-I507 WeakPolarHBondContact O-CA 3.43Å; T485-V508 HydrophobicContact CG2-CG2 3.68Å; T485-V508 WeakPolarHBondContact O-CG2 3.49Å; T485-V508 PolarHBondContact O-N 3.5Å; T485-A509 PolarHBondContact N-O 3.49Å
486	W	95.1	Very high	78.2	Confident	1 Å²	1	51.5 Å²	51.5	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	115.6	-178.4	-60.7	82.3	0	0	0	110.7	V430 F432 F454 I474 T476 L484 G506 I507	V430-W486 HydrophobicContact CB-CZ2 4.45Å; V430-W486 HydrophobicContact CG2-CH2 4.38Å; V430-W486 HydrophobicContact CG2-CZ2 3.78Å; F432-W486 HydrophobicContact CE2-CE3 4.32Å; F432-W486 HydrophobicContact CZ-CB 4.17Å; F432-W486 HydrophobicContact CZ-CD2 4.12Å; F432-W486 HydrophobicContact CZ-CE3 4.05Å; F432-W486 HydrophobicContact CZ-CG 4.21Å; F454-W486 AromaticContact CD1-CH2 3.93Å; F454-W486 HydrophobicContact CD1-CH2 3.93Å; F454-W486 HydrophobicContact CD1-CZ2 4.28Å; F454-W486 HydrophobicContact CD2-CH2 4.09Å; F454-W486 AromaticContact CE1-CH2 3.67Å; F454-W486 HydrophobicContact CE1-CH2 3.67Å; F454-W486 AromaticContact CE1-CZ2 3.72Å; F454-W486 HydrophobicContact CE1-CZ2 3.72Å; F454-W486 AromaticContact CE2-CH2 3.85Å; F454-W486 HydrophobicContact CE2-CH2 3.85Å; F454-W486 HydrophobicContact CG-CH2 4.12Å; F454-W486 AromaticContact CZ-CH2 3.63Å; F454-W486 HydrophobicContact CZ-CH2 3.63Å; F454-W486 AromaticContact CZ-CZ2 3.85Å; F454-W486 HydrophobicContact CZ-CZ2 3.85Å; I474-W486 HydrophobicContact CB-CB 4.33Å; I474-W486 PolarHBondContact N-O 3.1Å; I474-W486 PolarHBondContact O-N 2.88Å; T476-W486 VanDerWaalsContact CG2-NE1 3.26Å; T476-W486 PolarHBondContact OG1-NE1 3.39Å; L484-W486 HydrophobicContact CD1-CZ2 4.39Å; L484-W486 VanDerWaalsContact O-CD1 3.31Å; W486-G506 WeakPolarHBondContact CA-O 3.45Å; W486-I507 HydrophobicContact CD2-CG1 3.9Å; W486-I507 HydrophobicContact CE3-CG1 3.79Å; W486-I507 HydrophobicContact CH2-CD1 3.82Å; W486-I507 HydrophobicContact CH2-CG1 3.65Å; W486-I507 HydrophobicContact CZ2-CD1 3.87Å; W486-I507 HydrophobicContact CZ2-CG1 3.76Å; W486-I507 HydrophobicContact CZ3-CD1 4.3Å; W486-I507 HydrophobicContact CZ3-CG1 3.65Å
487	G	90.6	Very high	75.4	Confident	3 Å²	3	55 Å²	55	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	159.6	176.9	0	0	0	0	0	113.4	D473 S489 G506	D473-G487 VanDerWaalsContact OD1-CA 3.25Å; D473-G487 WeakPolarHBondContact OD1-CA 3.36Å; G487-S489 PolarHBondContact O-N 2.8Å; G487-G506 PolarHBondContact N-O 3.36Å; G487-G506 PolarHBondContact O-N 3.22Å
488	R	85.4	Confident	72.6	Confident	124 Å²	124	66.7 Å²	66.7	47%	0.468	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.1	172.1	-69.5	173.4	90.3	136.7	0.6	109.5	E503 Y505	R488-E503 IonicContact CZ-OE1 3.89Å; R488-E503 IonicContact NE-OE1 3.2Å; R488-E503 PolarHBondContact NE-OE1 2.88Å; R488-E503 VanDerWaalsContact NE-OE1 3.15Å; R488-E503 IonicContact NH2-OE1 2.78Å; R488-E503 PolarHBondContact NH2-OE1 3.23Å; R488-E503 IonicContact NH2-OE2 2.79Å; R488-E503 PolarHBondContact NH2-OE2 2.77Å; R488-Y505 HydrophobicContact CG-CD1 4.09Å; R488-Y505 HydrophobicContact CG-CE1 3.41Å; R488-Y505 VanDerWaalsContact CG-CE1 3.41Å
489	S	69	Low	69.7	Low	61 Å²	61	70.7 Å²	70.7	43%	0.427	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.3	175.2	-171.1	0	0	0	0	110.5	G487 S491 E503 T504	G487-S489 PolarHBondContact O-N 2.8Å; S489-S491 PolarHBondContact O-N 2.98Å; S489-E503 WeakPolarHBondContact O-CA 3.36Å; S489-T504 PolarHBondContact N-O 3.34Å; S489-T504 PolarHBondContact O-N 3Å
490	A	59	Low	67	Low	88 Å²	88	73 Å²	73	73%	0.727	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-69.3	126.9	165.8	0	0	0	0	0	108.9	D492	A490-D492 PolarHBondContact O-N 2.88Å
491	S	52.6	Low	64.4	Low	48 Å²	48	73.8 Å²	73.8	34%	0.336	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-61	120.6	-176.6	56.4	0	0	0	0	111.6	S489 S493 K502	S489-S491 PolarHBondContact O-N 2.98Å; S491-S493 PolarHBondContact O-N 2.88Å; S491-K502 PolarHBondContact OG-N 3.08Å
492	D	41.9	Very low	62.6	Low	108 Å²	108	81.7 Å²	81.7	58%	0.578	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-51.4	127.2	-179.6	-171.2	15.2	0	0	0	111	A490 K494	A490-D492 PolarHBondContact O-N 2.88Å; D492-K494 VanDerWaalsContact CG-NZ 3.34Å; D492-K494 PolarHBondContact O-N 3.28Å; D492-K494 IonicContact OD1-NZ 2.84Å; D492-K494 PolarHBondContact OD1-NZ 2.89Å; D492-K494 VanDerWaalsContact OD1-NZ 3.11Å; D492-K494 IonicContact OD2-NZ 3.8Å; D492-K494 PolarHBondContact OD2-NZ 2.93Å
493	S	45.5	Very low	61.3	Low	109 Å²	109	84 Å²	84	76%	0.762	51%	0.511	S	S	*	.	S	Bend	trans	-77.7	16.6	-159.3	57.4	0	0	0	0	115.1	S491 T495	S491-S493 PolarHBondContact O-N 2.88Å; S493-T495 PolarHBondContact O-N 2.83Å
494	K	45.8	Very low	60.5	Low	159 Å²	159	86.6 Å²	86.6	69%	0.691	53%	0.527	S	S	*	.			trans	-87.6	4.1	-167.2	-64.2	-176.1	-173.5	108.8	0	115.5	D492	D492-K494 VanDerWaalsContact CG-NZ 3.34Å; D492-K494 PolarHBondContact O-N 3.28Å; D492-K494 IonicContact OD1-NZ 2.84Å; D492-K494 PolarHBondContact OD1-NZ 2.89Å; D492-K494 VanDerWaalsContact OD1-NZ 3.11Å; D492-K494 IonicContact OD2-NZ 3.8Å; D492-K494 PolarHBondContact OD2-NZ 2.93Å
495	T	43.1	Very low	60.1	Low	127 Å²	127	87 Å²	87	78%	0.779	53%	0.528	S	S	*	.			trans	-127.3	72.8	173.8	41	0	0	0	0	112.4	S493 G497	S493-T495 PolarHBondContact O-N 2.83Å; T495-G497 PolarHBondContact O-N 3.37Å
496	P	39.3	Very low	60	Low	127 Å²	127	86.9 Å²	86.9	83%	0.825	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	105.8	173.1	28.7	-34.1	0	0	0	110.2
497	G	40.7	Very low	59.9	Low	72 Å²	72	87.8 Å²	87.8	74%	0.742	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-176.5	-20.8	-179.3	0	0	0	0	0	118.2	T495	T495-G497 PolarHBondContact O-N 3.37Å
498	R	38.5	Very low	60	Low	247 Å²	247	92 Å²	92	93%	0.932	56%	0.56	S	S	*	*	S	Bend	trans	-138	140.6	168.7	-67.7	-168.5	177.3	-157.3	-2.1	110
499	G	36.9	Very low	60.4	Low	84 Å²	84	88 Å²	88	87%	0.866	55%	0.554	S	S	*	*	S	Bend	trans	-72.4	151.1	-160.5	0	0	0	0	0	116
500	G	40.4	Very low	61.6	Low	68 Å²	68	88.9 Å²	88.9	70%	0.701	55%	0.551	S	S	*	*	S	Bend	trans	84	126.2	175.9	0	0	0	0	0	113.6	K502	G500-K502 PolarHBondContact O-N 3.29Å
501	A	43.3	Very low	63.3	Low	86 Å²	86	85.6 Å²	85.6	71%	0.711	52%	0.524	S	S	*	.			trans	-63.9	104.9	168.3	0	0	0	0	0	108.5	E503	A501-E503 PolarHBondContact O-N 2.93Å; A501-E503 VanDerWaalsContact O-N 3.16Å
502	K	59.2	Low	65.3	Low	165 Å²	165	89.2 Å²	89.2	72%	0.717	54%	0.535	S	S	*	.			trans	-92.6	83.4	-164.7	-163.4	173.5	-171.7	176.8	0	109.1	S491 G500 T504	S491-K502 PolarHBondContact OG-N 3.08Å; G500-K502 PolarHBondContact O-N 3.29Å; K502-T504 PolarHBondContact O-N 3.08Å
503	E	69.2	Low	67.9	Low	67 Å²	67	84.5 Å²	84.5	31%	0.313	51%	0.512	S	S	.	.			trans	-49.9	130	-175.1	-21.5	155.1	94.1	0	0	110.7	K450 R488 S489 A501	K450-E503 WeakPolarHBondContact CD-O 3.35Å; K450-E503 WeakPolarHBondContact CE-O 3.39Å; K450-E503 PolarHBondContact NZ-O 3.05Å; K450-E503 IonicContact NZ-OE2 3.86Å; K450-E503 PolarHBondContact NZ-OE2 3.47Å; R488-E503 IonicContact CZ-OE1 3.89Å; R488-E503 IonicContact NE-OE1 3.2Å; R488-E503 PolarHBondContact NE-OE1 2.88Å; R488-E503 VanDerWaalsContact NE-OE1 3.15Å; R488-E503 IonicContact NH2-OE1 2.78Å; R488-E503 PolarHBondContact NH2-OE1 3.23Å; R488-E503 IonicContact NH2-OE2 2.79Å; R488-E503 PolarHBondContact NH2-OE2 2.77Å; S489-E503 WeakPolarHBondContact O-CA 3.36Å; A501-E503 PolarHBondContact O-N 2.93Å; A501-E503 VanDerWaalsContact O-N 3.16Å
504	T	82.3	Confident	70.4	Confident	55 Å²	55	79.5 Å²	79.5	34%	0.337	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	158.9	175.8	55.5	0	0	0	0	110.1	S489 K502	S489-T504 PolarHBondContact N-O 3.34Å; S489-T504 PolarHBondContact O-N 3Å; K502-T504 PolarHBondContact O-N 3.08Å
505	Y	89.6	Confident	72.7	Confident	11 Å²	11	78.1 Å²	78.1	4%	0.043	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.6	168.7	-72.3	-88.7	0	0	0	108	F432 K450 V453 R488	F432-Y505 HydrophobicContact CB-CD2 3.56Å; F432-Y505 HydrophobicContact CB-CE2 3.63Å; F432-Y505 HydrophobicContact CB-CG 4.26Å; F432-Y505 AromaticContact CD1-CD1 3.56Å; F432-Y505 HydrophobicContact CD1-CD1 3.56Å; F432-Y505 AromaticContact CD1-CD2 3.63Å; F432-Y505 HydrophobicContact CD1-CD2 3.63Å; F432-Y505 AromaticContact CD1-CE1 3.81Å; F432-Y505 HydrophobicContact CD1-CE1 3.81Å; F432-Y505 AromaticContact CD1-CE2 3.88Å; F432-Y505 HydrophobicContact CD1-CE2 3.88Å; F432-Y505 AromaticContact CD1-CG 3.45Å; F432-Y505 HydrophobicContact CD1-CG 3.45Å; F432-Y505 VanDerWaalsContact CD1-CG 3.45Å; F432-Y505 AromaticContact CD1-CZ 3.97Å; F432-Y505 AromaticContact CD2-CD2 3.85Å; F432-Y505 HydrophobicContact CD2-CD2 3.85Å; F432-Y505 AromaticContact CD2-CG 3.84Å; F432-Y505 HydrophobicContact CD2-CG 3.84Å; F432-Y505 AromaticContact CE1-CD1 3.52Å; F432-Y505 HydrophobicContact CE1-CD1 3.52Å; F432-Y505 HydrophobicContact CE1-CD2 4.27Å; F432-Y505 HydrophobicContact CE1-CE1 4.1Å; F432-Y505 AromaticContact CE1-CG 3.61Å; F432-Y505 HydrophobicContact CE1-CG 3.61Å; F432-Y505 VanDerWaalsContact CE2-CB 3.47Å; F432-Y505 HydrophobicContact CE2-CD2 4.48Å; F432-Y505 HydrophobicContact CE2-CG 4.01Å; F432-Y505 HydrophobicContact CG-CD1 4.18Å; F432-Y505 AromaticContact CG-CD2 3.39Å; F432-Y505 HydrophobicContact CG-CD2 3.39Å; F432-Y505 AromaticContact CG-CE2 3.84Å; F432-Y505 HydrophobicContact CG-CE2 3.84Å; F432-Y505 AromaticContact CG-CG 3.58Å; F432-Y505 HydrophobicContact CG-CG 3.58Å; F432-Y505 HydrophobicContact CZ-CD1 4.14Å; F432-Y505 AromaticContact CZ-CG 3.91Å; F432-Y505 HydrophobicContact CZ-CG 3.91Å; K450-Y505 HydrophobicContact CD-CD2 4.31Å; K450-Y505 HydrophobicContact CD-CE2 4.18Å; V453-Y505 PolarHBondContact N-O 2.97Å; R488-Y505 HydrophobicContact CG-CD1 4.09Å; R488-Y505 HydrophobicContact CG-CE1 3.41Å; R488-Y505 VanDerWaalsContact CG-CE1 3.41Å
506	G	92.1	Very high	75.2	Confident	15 Å²	15	72.8 Å²	72.8	16%	0.155	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	153.6	-175.9	0	0	0	0	0	111.4	W486 G487 V508	W486-G506 WeakPolarHBondContact CA-O 3.45Å; G487-G506 PolarHBondContact N-O 3.36Å; G487-G506 PolarHBondContact O-N 3.22Å; G506-V508 PolarHBondContact O-N 3.31Å
507	I	93.8	Very high	77.9	Confident	20 Å²	20	67.8 Å²	67.8	10%	0.103	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	117.6	178	-58.1	172.2	0	0	0	109	F454 Y457 L484 T485 W486 A509	F454-I507 HydrophobicContact CB-CD1 4.34Å; F454-I507 HydrophobicContact CD1-CD1 3.62Å; F454-I507 HydrophobicContact CE1-CD1 4.24Å; F454-I507 HydrophobicContact CG-CD1 4.27Å; Y457-I507 HydrophobicContact CD2-CB 3.62Å; Y457-I507 HydrophobicContact CD2-CD1 4Å; Y457-I507 HydrophobicContact CD2-CG1 4.39Å; Y457-I507 HydrophobicContact CD2-CG2 3.62Å; Y457-I507 HydrophobicContact CE2-CB 3.72Å; Y457-I507 HydrophobicContact CE2-CG2 3.46Å; Y457-I507 VanDerWaalsContact CE2-CG2 3.46Å; Y457-I507 HydrophobicContact CG-CD1 4.22Å; Y457-I507 HydrophobicContact CG-CG2 4.26Å; L484-I507 HydrophobicContact CB-CD1 4.39Å; L484-I507 HydrophobicContact CB-CG2 4.41Å; L484-I507 HydrophobicContact CD1-CD1 3.97Å; L484-I507 HydrophobicContact CD2-CD1 4.39Å; L484-I507 HydrophobicContact CG-CD1 4.48Å; T485-I507 CarbonylContact O-C 3.6Å; T485-I507 VanDerWaalsContact O-CA 3.29Å; T485-I507 WeakPolarHBondContact O-CA 3.43Å; W486-I507 HydrophobicContact CD2-CG1 3.9Å; W486-I507 HydrophobicContact CE3-CG1 3.79Å; W486-I507 HydrophobicContact CH2-CD1 3.82Å; W486-I507 HydrophobicContact CH2-CG1 3.65Å; W486-I507 HydrophobicContact CZ2-CD1 3.87Å; W486-I507 HydrophobicContact CZ2-CG1 3.76Å; W486-I507 HydrophobicContact CZ3-CD1 4.3Å; W486-I507 HydrophobicContact CZ3-CG1 3.65Å; I507-A509 WeakPolarHBondContact CG2-O 3.31Å
508	V	93.1	Very high	80.7	Confident	90 Å²	90	64.3 Å²	64.3	55%	0.545	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-32.2	177.5	-64.2	0	0	0	0	112.1	T485 G506	T485-V508 HydrophobicContact CG2-CG2 3.68Å; T485-V508 WeakPolarHBondContact O-CG2 3.49Å; T485-V508 PolarHBondContact O-N 3.5Å; G506-V508 PolarHBondContact O-N 3.31Å
509	A	92.4	Very high	83.5	Confident	41 Å²	41	55.2 Å²	55.2	34%	0.339	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156.9	177.5	0	0	0	0	0	111.9	T485 I507	T485-A509 PolarHBondContact N-O 3.49Å; I507-A509 WeakPolarHBondContact CG2-O 3.31Å
510	Q	94.3	Very high	86.4	Confident	80 Å²	80	51.6 Å²	51.6	37%	0.374	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	132.6	170.7	168.4	175.4	-12.2	0	0	108.5	Y457 N482 I483 L484	Y457-Q510 HydrophobicContact CD1-CB 4.24Å; Y457-Q510 HydrophobicContact CE1-CB 3.8Å; N482-Q510 HydrophobicContact CB-CG 4.13Å; N482-Q510 PolarHBondContact OD1-NE2 3.35Å; I483-Q510 WeakPolarHBondContact O-CA 3.41Å; L484-Q510 HydrophobicContact CD2-CB 3.89Å; L484-Q510 HydrophobicContact CD2-CG 3.72Å
511	A	95.3	Very high	89.1	Confident	19 Å²	19	49.2 Å²	49.2	16%	0.157	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145.2	163.2	0	0	0	0	0	109.4	N482 I483 L546	N482-A511 CarbonylContact C-O 3.35Å; N482-A511 VanDerWaalsContact CA-O 3.28Å; N482-A511 WeakPolarHBondContact CA-O 3.4Å; I483-A511 PolarHBondContact N-O 3.24Å; I483-A511 PolarHBondContact O-N 2.77Å; A511-L546 HydrophobicContact CB-CB 3.96Å; A511-L546 HydrophobicContact CB-CD1 3.82Å
512	H	95.9	Very high	91.7	Very high	123 Å²	123	46.2 Å²	46.2	57%	0.569	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.2	166.9	-172	62.3	0	0	0	108.2	G481 N482 H514	G481-H512 PolarHBondContact O-ND1 3.35Å; N482-H512 PolarHBondContact OD1-ND1 2.79Å; N482-H512 VanDerWaalsContact OD1-ND1 3.09Å; H512-H514 PolarHBondContact CE1-O 3.18Å; H512-H514 VanDerWaalsContact CE1-O 3.22Å; H512-H514 PolarHBondContact NE2-O 3.26Å
513	A	95.9	Very high	93.4	Very high	10 Å²	10	41.1 Å²	41.1	8%	0.083	23%	0.229	C	C	.	.			trans	-123.6	-34.7	-164.7	0	0	0	0	0	113.7	G481 I483 I518 W542	G481-A513 PolarHBondContact O-N 2.89Å; I483-A513 HydrophobicContact CD1-CB 3.94Å; I483-A513 HydrophobicContact CG1-CB 3.92Å; A513-I518 HydrophobicContact CB-CD1 3.95Å; A513-W542 HydrophobicContact CB-CH2 3.94Å; A513-W542 HydrophobicContact CB-CZ2 3.4Å; A513-W542 VanDerWaalsContact CB-CZ2 3.4Å
514	H	97.8	Very high	94.6	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.019	22%	0.219	C	C	.	.	S	Bend	trans	-144.7	155.5	-168	-74.5	-67.3	0	0	0	113.2	G481 H512 G516 I518 S531 G533 D536 R538	G481-H514 WeakPolarHBondContact CA-O 3.36Å; G481-H514 PolarHBondContact O-N 2.86Å; H512-H514 PolarHBondContact CE1-O 3.18Å; H512-H514 VanDerWaalsContact CE1-O 3.22Å; H512-H514 PolarHBondContact NE2-O 3.26Å; H514-G516 PolarHBondContact O-N 2.99Å; H514-I518 HydrophobicContact CB-CG1 4.34Å; H514-S531 PolarHBondContact CD2-OG 2.62Å; H514-S531 WeakPolarHBondContact NE2-CB 3.28Å; H514-S531 PolarHBondContact NE2-O 2.86Å; H514-S531 PolarHBondContact NE2-OG 3.31Å; H514-G533 PolarHBondContact CE1-N 3.2Å; H514-G533 WeakPolarHBondContact ND1-CA 3.39Å; H514-D536 VanDerWaalsContact CA-OD2 3.31Å; H514-D536 WeakPolarHBondContact CA-OD2 3.44Å; H514-D536 WeakPolarHBondContact CB-OD2 3.38Å; H514-D536 IonicContact CE1-OD2 3.48Å; H514-D536 IonicContact CG-OD2 3.15Å; H514-D536 IonicContact ND1-OD1 2.75Å; H514-D536 PolarHBondContact ND1-OD1 3.49Å; H514-D536 IonicContact ND1-OD2 2.77Å; H514-D536 PolarHBondContact ND1-OD2 2.78Å; H514-R538 PolarHBondContact CE1-O 3.41Å
515	E	94.6	Very high	95.1	Very high	129 Å²	129	43.8 Å²	43.8	60%	0.603	23%	0.231	S	C	*	.	S	Bend	trans	-76	94.1	167.1	-61.6	-161.1	171.8	0	0	111.2	R535 D536	E515-R535 HydrophobicContact CB-CG 4.16Å; E515-R535 VanDerWaalsContact O-CB 3.23Å; E515-R535 WeakPolarHBondContact O-CB 3.48Å; E515-R535 WeakPolarHBondContact O-CD 3.37Å; E515-R535 VanDerWaalsContact O-CG 3.3Å; E515-R535 WeakPolarHBondContact O-CG 3.31Å; E515-D536 HydrophobicContact CB-CB 4.06Å; E515-D536 HydrophobicContact CG-CB 4.34Å; E515-D536 PolarHBondContact N-OD2 2.91Å
516	G	94.5	Very high	95.1	Very high	15 Å²	15	48.4 Å²	48.4	16%	0.155	26%	0.256	C	S	.	.	S	Bend	trans	82	-166	-179	0	0	0	0	0	113.3	G481 H514 I518	G481-G516 WeakPolarHBondContact CA-O 3.48Å; G481-G516 PolarHBondContact N-O 2.81Å; H514-G516 PolarHBondContact O-N 2.99Å; G516-I518 PolarHBondContact O-N 2.92Å
517	S	96.9	Very high	95.1	Very high	22 Å²	22	49.3 Å²	49.3	15%	0.154	27%	0.266	C	S	.	.			trans	-51.9	124	-160.3	-163.2	0	0	0	0	114.5	D478 S479 F519 G534	D478-S517 VanDerWaalsContact O-CA 3.32Å; D478-S517 WeakPolarHBondContact O-CA 3.31Å; S479-S517 PolarHBondContact O-N 3.38Å; S517-F519 PolarHBondContact O-N 3.35Å; S517-G534 WeakPolarHBondContact O-CA 3.44Å; S517-G534 PolarHBondContact O-N 3.09Å
518	I	98.4	Very high	95.2	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	121.1	163.7	-45.3	-170.3	0	0	0	106.8	P464 D478 N482 I483 A513 H514 G516 A520 L521	P464-I518 WeakPolarHBondContact CG-O 3.43Å; D478-I518 PolarHBondContact O-N 3.18Å; N482-I518 VanDerWaalsContact C-CD1 3.48Å; N482-I518 WeakPolarHBondContact O-CD1 3.41Å; I483-I518 HydrophobicContact CG1-CD1 3.54Å; A513-I518 HydrophobicContact CB-CD1 3.95Å; H514-I518 HydrophobicContact CB-CG1 4.34Å; G516-I518 PolarHBondContact O-N 2.92Å; I518-A520 WeakPolarHBondContact CG2-O 3.26Å; I518-L521 HydrophobicContact CG2-CD2 4.44Å; I518-L521 HydrophobicContact CG2-CG 4.48Å
519	F	97.4	Very high	95.4	Very high	55 Å²	55	45 Å²	45	24%	0.241	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-25.3	-178.2	-74.8	-51.6	0	0	0	114	P464 C465 S517 G532 G534 V561 R562	P464-F519 HydrophobicContact CG-CD1 4.27Å; C465-F519 WeakPolarHBondContact CB-O 3.27Å; S517-F519 PolarHBondContact O-N 3.35Å; F519-G532 PolarHBondContact N-O 2.83Å; F519-G534 VanDerWaalsContact CE2-CA 3.42Å; F519-V561 WeakPolarHBondContact CB-O 3.33Å; F519-V561 WeakPolarHBondContact CD2-O 3.49Å; F519-R562 VanDerWaalsContact CE2-NH1 3.32Å
520	A	97.6	Very high	95.6	Very high	8 Å²	8	43 Å²	43	7%	0.066	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.7	179.2	0	0	0	0	0	111.2	I518 G532 V561 I564	I518-A520 WeakPolarHBondContact CG2-O 3.26Å; A520-G532 PolarHBondContact O-N 2.84Å; A520-V561 HydrophobicContact CB-CG1 4.47Å; A520-I564 HydrophobicContact CB-CB 4.49Å; A520-I564 HydrophobicContact CB-CD1 3.63Å; A520-I564 HydrophobicContact CB-CG1 3.78Å
521	L	98	Very high	95.8	Very high	19 Å²	19	39.2 Å²	39.2	10%	0.099	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.6	163	-75.1	172.2	0	0	0	107.4	V467 L475 G477 I483 I518 V529 L530	V467-L521 HydrophobicContact CG1-CB 3.87Å; V467-L521 WeakPolarHBondContact CG1-O 3.45Å; V467-L521 HydrophobicContact CG2-CB 4.2Å; L475-L521 HydrophobicContact CB-CD1 4.22Å; G477-L521 VanDerWaalsContact N-CD1 3.33Å; I483-L521 HydrophobicContact CD1-CD2 4.28Å; I483-L521 HydrophobicContact CG1-CD2 4.44Å; I518-L521 HydrophobicContact CG2-CD2 4.44Å; I518-L521 HydrophobicContact CG2-CG 4.48Å; L521-V529 HydrophobicContact CD2-CG1 4.05Å; L521-L530 CarbonylContact C-O 3.58Å; L521-L530 VanDerWaalsContact CA-O 3.28Å; L521-L530 WeakPolarHBondContact CA-O 3.33Å
522	C	96.9	Very high	95.9	Very high	23 Å²	23	38.3 Å²	38.3	16%	0.155	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122.3	174.3	-171.7	0	0	0	0	109.2	V529 L530 I564	C522-V529 CarbonylContact O-C 3.57Å; C522-V529 WeakPolarHBondContact O-CA 3.26Å; C522-L530 HydrophobicContact CB-CB 4.35Å; C522-L530 PolarHBondContact N-O 3.3Å; C522-L530 PolarHBondContact O-N 2.64Å; C522-I564 HydrophobicContact CB-CB 4.07Å; C522-I564 HydrophobicContact CB-CG2 3.91Å
523	L	95.6	Very high	95.9	Very high	57 Å²	57	32.4 Å²	32.4	30%	0.298	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	130.2	166.3	177.8	69.8	0	0	0	107.9	F468 L469 P470 V529	F468-L523 WeakPolarHBondContact O-CD2 3.02Å; L469-L523 HydrophobicContact CD2-CD1 4.16Å; P470-L523 HydrophobicContact CG-CD2 4.25Å; L523-V529 HydrophobicContact CD1-CG2 3.79Å
524	Q	94.6	Very high	95.6	Very high	21 Å²	21	32.9 Å²	32.9	10%	0.098	18%	0.177	C	C	.	.			trans	-91.5	160.2	176.6	-66	-173.9	-111.4	0	0	111.7	D526 G527 T528 L530 Q541 E566	Q524-D526 VanDerWaalsContact CB-OD1 3.32Å; Q524-D526 WeakPolarHBondContact CB-OD1 3.34Å; Q524-D526 PolarHBondContact O-N 3.49Å; Q524-D526 VanDerWaalsContact O-N 3.17Å; Q524-G527 PolarHBondContact O-N 3.27Å; Q524-T528 PolarHBondContact N-O 2.82Å; Q524-T528 PolarHBondContact OE1-OG1 3.46Å; Q524-T528 VanDerWaalsContact OE1-OG1 3.08Å; Q524-L530 HydrophobicContact CG-CD1 3.9Å; Q524-L530 HydrophobicContact CG-CG 4.14Å; Q524-L530 VanDerWaalsContact OE1-CG 3.23Å; Q524-Q541 VanDerWaalsContact OE1-NE2 3.15Å; Q524-E566 WeakPolarHBondContact CA-OE2 3.28Å
525	R	91.6	Very high	95.5	Very high	158 Å²	158	41.3 Å²	41.3	60%	0.596	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.5	178.2	-65.6	172.5	-158	117.2	-0.3	114.1	G527 E566 G567	R525-G527 VanDerWaalsContact C-N 3.31Å; R525-E566 VanDerWaalsContact CD-OE1 3.26Å; R525-E566 WeakPolarHBondContact CD-OE1 3.49Å; R525-E566 VanDerWaalsContact CG-OE1 3.31Å; R525-E566 WeakPolarHBondContact CG-OE1 3.06Å; R525-E566 WeakPolarHBondContact CG-OE2 3.29Å; R525-E566 IonicContact CZ-OE1 3.36Å; R525-E566 VanDerWaalsContact CZ-OE1 3.23Å; R525-E566 PolarHBondContact N-OE2 2.89Å; R525-E566 IonicContact NE-OE1 2.69Å; R525-E566 PolarHBondContact NE-OE1 2.74Å; R525-E566 VanDerWaalsContact NH1-CD 3.31Å; R525-E566 IonicContact NH1-OE1 3.53Å; R525-E566 PolarHBondContact NH1-OE1 3.37Å; R525-G567 VanDerWaalsContact CZ-O 3.3Å; R525-G567 PolarHBondContact NH1-O 3.16Å; R525-G567 PolarHBondContact NH2-O 3.34Å
526	D	90.9	Very high	95.5	Very high	107 Å²	107	36 Å²	36	57%	0.572	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-5.2	177.7	68.4	-2.4	0	0	0	113.8	Q524 T528	Q524-D526 VanDerWaalsContact CB-OD1 3.32Å; Q524-D526 WeakPolarHBondContact CB-OD1 3.34Å; Q524-D526 PolarHBondContact O-N 3.49Å; Q524-D526 VanDerWaalsContact O-N 3.17Å; D526-T528 WeakPolarHBondContact OD1-CB 3.36Å; D526-T528 PolarHBondContact OD1-N 2.78Å; D526-T528 PolarHBondContact OD1-OG1 3.08Å; D526-T528 PolarHBondContact OD2-OG1 2.94Å
527	G	91.4	Very high	95.6	Very high	34 Å²	34	38 Å²	38	35%	0.351	19%	0.188	S	C	.	.	S	Bend	trans	88.4	-0.8	-177.1	0	0	0	0	0	114.9	Q524 R525	Q524-G527 PolarHBondContact O-N 3.27Å; R525-G527 VanDerWaalsContact C-N 3.31Å
528	T	95.2	Very high	95.7	Very high	14 Å²	14	40.3 Å²	40.3	9%	0.086	19%	0.193	C	C	.	.			trans	-75.2	162.3	168.2	65.8	0	0	0	0	111.1	Q524 D526 Q541 W542 L549	Q524-T528 PolarHBondContact N-O 2.82Å; Q524-T528 PolarHBondContact OE1-OG1 3.46Å; Q524-T528 VanDerWaalsContact OE1-OG1 3.08Å; D526-T528 WeakPolarHBondContact OD1-CB 3.36Å; D526-T528 PolarHBondContact OD1-N 2.78Å; D526-T528 PolarHBondContact OD1-OG1 3.08Å; D526-T528 PolarHBondContact OD2-OG1 2.94Å; T528-Q541 PolarHBondContact OG1-NE2 3.23Å; T528-W542 WeakPolarHBondContact CA-O 3.49Å; T528-W542 WeakPolarHBondContact CB-O 3.49Å; T528-L549 HydrophobicContact CG2-CD1 4Å
529	V	97.3	Very high	95.6	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.5	-179.1	177.6	0	0	0	0	109.9	V467 L469 L475 L521 C522 L523 Q541 W542	V467-V529 HydrophobicContact CG2-CG1 4.33Å; L469-V529 HydrophobicContact CD2-CG2 3.92Å; L475-V529 HydrophobicContact CD1-CB 4.35Å; L475-V529 HydrophobicContact CD1-CG1 4.08Å; L475-V529 HydrophobicContact CD1-CG2 3.92Å; L521-V529 HydrophobicContact CD2-CG1 4.05Å; C522-V529 CarbonylContact O-C 3.57Å; C522-V529 WeakPolarHBondContact O-CA 3.26Å; L523-V529 HydrophobicContact CD1-CG2 3.79Å; V529-Q541 CarbonylContact O-C 3.45Å; V529-Q541 WeakPolarHBondContact O-CA 3.44Å; V529-W542 PolarHBondContact N-O 3.36Å; V529-W542 WeakPolarHBondContact O-CB 3.27Å; V529-W542 VanDerWaalsContact O-CD1 3.29Å; V529-W542 PolarHBondContact O-N 3.18Å
530	L	97.7	Very high	95.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.5	171.1	-64.3	162.7	0	0	0	110.1	L521 C522 Q524 V540 Q541 I564 L572 L586	L521-L530 CarbonylContact C-O 3.58Å; L521-L530 VanDerWaalsContact CA-O 3.28Å; L521-L530 WeakPolarHBondContact CA-O 3.33Å; C522-L530 HydrophobicContact CB-CB 4.35Å; C522-L530 PolarHBondContact N-O 3.3Å; C522-L530 PolarHBondContact O-N 2.64Å; Q524-L530 HydrophobicContact CG-CD1 3.9Å; Q524-L530 HydrophobicContact CG-CG 4.14Å; Q524-L530 VanDerWaalsContact OE1-CG 3.23Å; L530-V540 CarbonylContact C-O 3.48Å; L530-V540 WeakPolarHBondContact CA-O 3.25Å; L530-Q541 HydrophobicContact CD2-CB 3.86Å; L530-Q541 HydrophobicContact CD2-CG 4.05Å; L530-I564 HydrophobicContact CB-CD1 4.19Å; L530-I564 HydrophobicContact CB-CG2 4.27Å; L530-I564 HydrophobicContact CD1-CG2 3.79Å; L530-L572 HydrophobicContact CD1-CD1 3.78Å; L530-L572 HydrophobicContact CD1-CD2 3.48Å; L530-L572 VanDerWaalsContact CD1-CD2 3.48Å; L530-L572 HydrophobicContact CD1-CG 4.28Å; L530-L572 HydrophobicContact CD2-CD1 4.05Å; L530-L586 HydrophobicContact CD2-CD1 4.07Å
531	S	98.3	Very high	95.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.6	168.6	66.9	0	0	0	0	111.8	H514 L539 V540 W542	H514-S531 PolarHBondContact CD2-OG 2.62Å; H514-S531 WeakPolarHBondContact NE2-CB 3.28Å; H514-S531 PolarHBondContact NE2-O 2.86Å; H514-S531 PolarHBondContact NE2-OG 3.31Å; S531-L539 WeakPolarHBondContact O-CA 3.46Å; S531-V540 PolarHBondContact N-O 2.62Å; S531-V540 PolarHBondContact O-N 3.36Å; S531-W542 PolarHBondContact OG-NE1 3.09Å
532	G	97.8	Very high	95.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.3	-178.8	0	0	0	0	0	112.3	F519 A520	F519-G532 PolarHBondContact N-O 2.83Å; A520-G532 PolarHBondContact O-N 2.84Å
533	G	94.8	Very high	95.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	136.6	-175.7	0	0	0	0	0	114.6	H514 D536 R538 V561	H514-G533 PolarHBondContact CE1-N 3.2Å; H514-G533 WeakPolarHBondContact ND1-CA 3.39Å; G533-D536 WeakPolarHBondContact CA-OD1 3.41Å; G533-R538 PolarHBondContact N-O 2.97Å; G533-V561 PolarHBondContact O-N 2.92Å
534	G	90.6	Very high	95	Very high	19 Å²	19	40.6 Å²	40.6	20%	0.196	20%	0.2	C	C	.	.	S	Bend	trans	-93.7	-4.8	-170.2	0	0	0	0	0	116.9	S517 F519 A560	S517-G534 WeakPolarHBondContact O-CA 3.44Å; S517-G534 PolarHBondContact O-N 3.09Å; F519-G534 VanDerWaalsContact CE2-CA 3.42Å; G534-A560 WeakPolarHBondContact O-CB 3.03Å
535	R	94.6	Very high	94.6	Very high	182 Å²	182	43.4 Å²	43.4	69%	0.687	24%	0.236	S	C	*	.	S	Bend	trans	-137.4	-40.8	175.3	135.3	-174.4	-65.9	154.8	-1.9	112.7	E515 R537	E515-R535 HydrophobicContact CB-CG 4.16Å; E515-R535 VanDerWaalsContact O-CB 3.23Å; E515-R535 WeakPolarHBondContact O-CB 3.48Å; E515-R535 WeakPolarHBondContact O-CD 3.37Å; E515-R535 VanDerWaalsContact O-CG 3.3Å; E515-R535 WeakPolarHBondContact O-CG 3.31Å; R535-R537 PolarHBondContact O-N 3.15Å
536	D	96.1	Very high	94.6	Very high	18 Å²	18	37.2 Å²	37.2	10%	0.096	21%	0.214	C	C	.	.	S	Bend	trans	-73.3	-11.3	173.3	58.2	-4.7	0	0	0	113.5	H514 E515 G533 R538	H514-D536 VanDerWaalsContact CA-OD2 3.31Å; H514-D536 WeakPolarHBondContact CA-OD2 3.44Å; H514-D536 WeakPolarHBondContact CB-OD2 3.38Å; H514-D536 IonicContact CE1-OD2 3.48Å; H514-D536 IonicContact CG-OD2 3.15Å; H514-D536 IonicContact ND1-OD1 2.75Å; H514-D536 PolarHBondContact ND1-OD1 3.49Å; H514-D536 IonicContact ND1-OD2 2.77Å; H514-D536 PolarHBondContact ND1-OD2 2.78Å; E515-D536 HydrophobicContact CB-CB 4.06Å; E515-D536 HydrophobicContact CG-CB 4.34Å; E515-D536 PolarHBondContact N-OD2 2.91Å; G533-D536 WeakPolarHBondContact CA-OD1 3.41Å; D536-R538 PolarHBondContact O-N 2.94Å; D536-R538 PolarHBondContact OD1-N 2.86Å; D536-R538 IonicContact OD2-NH1 2.81Å
537	R	96.8	Very high	94.8	Very high	56 Å²	56	36.4 Å²	36.4	21%	0.211	21%	0.213	C	C	.	.			trans	61.1	9.8	-179.9	-45.7	175.4	-72.5	-123.8	11.4	114.4	R535 E553 I554 E556	R535-R537 PolarHBondContact O-N 3.15Å; R537-E553 HydrophobicContact CB-CG 4.11Å; R537-E553 IonicContact CZ-OE1 3.38Å; R537-E553 IonicContact NE-OE1 3.48Å; R537-E553 PolarHBondContact NE-OE1 3.14Å; R537-E553 IonicContact NH2-OE1 3.54Å; R537-E553 PolarHBondContact NH2-OE1 3.24Å; R537-I554 HydrophobicContact CB-CB 4.31Å; R537-I554 WeakPolarHBondContact CD-O 3Å; R537-I554 PolarHBondContact NE-O 3.49Å; R537-I554 WeakPolarHBondContact O-CG1 3.5Å; R537-I554 PolarHBondContact O-N 2.66Å; R537-E556 IonicContact CZ-OE2 3.75Å; R537-E556 VanDerWaalsContact NH1-CG 3.26Å; R537-E556 IonicContact NH1-OE2 2.65Å; R537-E556 PolarHBondContact NH1-OE2 3.36Å; R537-E556 IonicContact NH2-OE2 3.63Å
538	R	97.1	Very high	94.9	Very high	70 Å²	70	37.4 Å²	37.4	26%	0.264	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	146.8	-175.7	-77.7	162.7	68.8	-130.3	11	111.5	H514 G533 D536 V540 E551 A552 E553	H514-R538 PolarHBondContact CE1-O 3.41Å; G533-R538 PolarHBondContact N-O 2.97Å; D536-R538 PolarHBondContact O-N 2.94Å; D536-R538 PolarHBondContact OD1-N 2.86Å; D536-R538 IonicContact OD2-NH1 2.81Å; R538-V540 HydrophobicContact CB-CG2 4.39Å; R538-E551 IonicContact CZ-OE1 2.66Å; R538-E551 IonicContact CZ-OE2 3.89Å; R538-E551 IonicContact NE-OE1 2.92Å; R538-E551 PolarHBondContact NE-OE1 2.78Å; R538-E551 IonicContact NH2-OE1 3.18Å; R538-E551 PolarHBondContact NH2-OE1 2.79Å; R538-E551 IonicContact NH2-OE2 3.56Å; R538-E551 PolarHBondContact NH2-OE2 3.19Å; R538-A552 CarbonylContact C-O 3.59Å; R538-A552 WeakPolarHBondContact CA-O 3.07Å; R538-E553 HydrophobicContact CG-CB 4.17Å; R538-E553 HydrophobicContact CG-CG 4.06Å
539	L	97.4	Very high	95	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.2	168.8	-168.7	72.7	0	0	0	106.5	S531 E551 A552 V561 I564 L572 V574 L586 F590	S531-L539 WeakPolarHBondContact O-CA 3.46Å; L539-E551 CarbonylContact O-C 3.54Å; L539-E551 VanDerWaalsContact O-CA 3.24Å; L539-E551 WeakPolarHBondContact O-CA 3.32Å; L539-A552 PolarHBondContact N-O 3.21Å; L539-A552 PolarHBondContact O-N 3.03Å; L539-V561 HydrophobicContact CD1-CG1 4.45Å; L539-I564 HydrophobicContact CD1-CD1 3.43Å; L539-I564 VanDerWaalsContact CD1-CD1 3.43Å; L539-I564 HydrophobicContact CD1-CG1 3.7Å; L539-I564 HydrophobicContact CD1-CG2 4.47Å; L539-L572 HydrophobicContact CD2-CD1 3.99Å; L539-V574 HydrophobicContact CD2-CG2 3.95Å; L539-L586 HydrophobicContact CB-CD2 4.28Å; L539-L586 HydrophobicContact CD2-CD2 3.81Å; L539-L586 HydrophobicContact CG-CD2 4.12Å; L539-F590 HydrophobicContact CD2-CE1 4.48Å; L539-F590 HydrophobicContact CD2-CE2 3.89Å; L539-F590 HydrophobicContact CD2-CZ 3.51Å
540	V	97.8	Very high	94.9	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.9	-174.9	-175.5	0	0	0	0	109.9	L530 S531 R538 W542 A548 E551	L530-V540 CarbonylContact C-O 3.48Å; L530-V540 WeakPolarHBondContact CA-O 3.25Å; S531-V540 PolarHBondContact N-O 2.62Å; S531-V540 PolarHBondContact O-N 3.36Å; R538-V540 HydrophobicContact CB-CG2 4.39Å; V540-W542 HydrophobicContact CB-CZ2 4.07Å; V540-W542 HydrophobicContact CG1-CD2 4.26Å; V540-W542 HydrophobicContact CG1-CH2 4.32Å; V540-W542 HydrophobicContact CG1-CZ2 3.56Å; V540-W542 PolarHBondContact O-NE1 3.22Å; V540-A548 HydrophobicContact CG1-CB 4.12Å; V540-E551 HydrophobicContact CG2-CB 4.04Å
541	Q	97.5	Very high	94.8	Very high	22 Å²	22	50.7 Å²	50.7	10%	0.103	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132	174.3	-166.2	-175.3	22.1	0	0	110.7	Q524 T528 V529 L530 L549 Q550 L586	Q524-Q541 VanDerWaalsContact OE1-NE2 3.15Å; T528-Q541 PolarHBondContact OG1-NE2 3.23Å; V529-Q541 CarbonylContact O-C 3.45Å; V529-Q541 WeakPolarHBondContact O-CA 3.44Å; L530-Q541 HydrophobicContact CD2-CB 3.86Å; L530-Q541 HydrophobicContact CD2-CG 4.05Å; Q541-L549 PolarHBondContact O-N 3.47Å; Q541-Q550 HydrophobicContact CB-CB 4.48Å; Q541-Q550 PolarHBondContact N-O 2.79Å; Q541-L586 HydrophobicContact CB-CD1 3.66Å; Q541-L586 HydrophobicContact CG-CD1 4.42Å
542	W	96.8	Very high	94.7	Very high	19 Å²	19	51.3 Å²	51.3	7%	0.072	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.9	-175.7	-56.6	88.8	0	0	0	110.3	I483 A513 T528 V529 S531 V540 L546 V547 A548	I483-W542 HydrophobicContact CD1-CD2 4.17Å; I483-W542 HydrophobicContact CD1-CG 4.3Å; I483-W542 HydrophobicContact CD1-CZ2 4.32Å; A513-W542 HydrophobicContact CB-CH2 3.94Å; A513-W542 HydrophobicContact CB-CZ2 3.4Å; A513-W542 VanDerWaalsContact CB-CZ2 3.4Å; T528-W542 WeakPolarHBondContact CA-O 3.49Å; T528-W542 WeakPolarHBondContact CB-O 3.49Å; V529-W542 PolarHBondContact N-O 3.36Å; V529-W542 WeakPolarHBondContact O-CB 3.27Å; V529-W542 VanDerWaalsContact O-CD1 3.29Å; V529-W542 PolarHBondContact O-N 3.18Å; S531-W542 PolarHBondContact OG-NE1 3.09Å; V540-W542 HydrophobicContact CB-CZ2 4.07Å; V540-W542 HydrophobicContact CG1-CD2 4.26Å; V540-W542 HydrophobicContact CG1-CH2 4.32Å; V540-W542 HydrophobicContact CG1-CZ2 3.56Å; V540-W542 PolarHBondContact O-NE1 3.22Å; W542-L546 HydrophobicContact CB-CD2 4.28Å; W542-L546 HydrophobicContact CE3-CB 4.21Å; W542-L546 VanDerWaalsContact CE3-O 3.3Å; W542-L546 WeakPolarHBondContact CZ3-O 3.25Å; W542-V547 CarbonylContact C-O 3.51Å; W542-V547 WeakPolarHBondContact CA-O 3.45Å; W542-A548 HydrophobicContact CE3-CB 4.06Å; W542-A548 HydrophobicContact CH2-CB 4.18Å; W542-A548 HydrophobicContact CZ3-CB 3.82Å
543	G	93.8	Very high	94.6	Very high	6 Å²	6	56 Å²	56	6%	0.062	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-178.4	169.5	0	0	0	0	0	112.7	G545 L546 V547	G543-G545 PolarHBondContact O-N 2.86Å; G543-L546 PolarHBondContact O-N 2.8Å; G543-L546 VanDerWaalsContact O-N 3.07Å; G543-V547 PolarHBondContact N-O 2.95Å
544	P	87.9	Confident	94.8	Very high	118 Å²	118	56 Å²	56	77%	0.766	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	135.7	175.8	-27.7	35.8	0	0	0	112.5	L546	P544-L546 VanDerWaalsContact C-N 3.32Å
545	G	85.8	Confident	95	Very high	81 Å²	81	57.4 Å²	57.4	84%	0.835	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	11.3	-177.1	0	0	0	0	0	115.5	G543	G543-G545 PolarHBondContact O-N 2.86Å
546	L	91.6	Very high	95	Very high	28 Å²	28	55 Å²	55	15%	0.147	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	45.3	-176.8	-54.4	176.2	0	0	0	113.1	L475 I483 A511 W542 G543 P544	L475-L546 HydrophobicContact CD1-CD2 3.91Å; L475-L546 HydrophobicContact CD2-CD1 4.33Å; L475-L546 HydrophobicContact CD2-CD2 4.27Å; I483-L546 HydrophobicContact CB-CD1 4.13Å; I483-L546 HydrophobicContact CD1-CD2 4.44Å; I483-L546 HydrophobicContact CG2-CD1 3.73Å; I483-L546 HydrophobicContact CG2-CD2 4.07Å; A511-L546 HydrophobicContact CB-CB 3.96Å; A511-L546 HydrophobicContact CB-CD1 3.82Å; W542-L546 HydrophobicContact CB-CD2 4.28Å; W542-L546 HydrophobicContact CE3-CB 4.21Å; W542-L546 VanDerWaalsContact CE3-O 3.3Å; W542-L546 WeakPolarHBondContact CZ3-O 3.25Å; G543-L546 PolarHBondContact O-N 2.8Å; G543-L546 VanDerWaalsContact O-N 3.07Å; P544-L546 VanDerWaalsContact C-N 3.32Å
547	V	93.9	Very high	94.8	Very high	89 Å²	89	59.9 Å²	59.9	54%	0.539	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.4	165.4	-178.9	0	0	0	0	108.7	W542 G543	W542-V547 CarbonylContact C-O 3.51Å; W542-V547 WeakPolarHBondContact CA-O 3.45Å; G543-V547 PolarHBondContact N-O 2.95Å
548	A	95.1	Very high	94.8	Very high	55 Å²	55	57.8 Å²	57.8	46%	0.455	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	134.3	174.7	0	0	0	0	0	110.7	V540 W542	V540-A548 HydrophobicContact CG1-CB 4.12Å; W542-A548 HydrophobicContact CE3-CB 4.06Å; W542-A548 HydrophobicContact CH2-CB 4.18Å; W542-A548 HydrophobicContact CZ3-CB 3.82Å
549	L	95.5	Very high	94.7	Very high	94 Å²	94	55 Å²	55	49%	0.492	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-48.4	-176.4	-58.7	-179.5	0	0	0	112.4	T528 Q541	T528-L549 HydrophobicContact CG2-CD1 4Å; Q541-L549 PolarHBondContact O-N 3.47Å
550	Q	95.4	Very high	94.7	Very high	102 Å²	102	55.4 Å²	55.4	48%	0.477	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	158	-177.9	-66.5	-170.2	12.8	0	0	109.7	Q541 L586	Q541-Q550 HydrophobicContact CB-CB 4.48Å; Q541-Q550 PolarHBondContact N-O 2.79Å; Q550-L586 HydrophobicContact CB-CB 4.3Å; Q550-L586 HydrophobicContact CB-CD1 3.89Å
551	E	95.4	Very high	94.7	Very high	103 Å²	103	55.2 Å²	55.2	48%	0.481	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	154	176.1	60.3	175.2	-87.7	0	0	111.9	R538 L539 V540	R538-E551 IonicContact CZ-OE1 2.66Å; R538-E551 IonicContact CZ-OE2 3.89Å; R538-E551 IonicContact NE-OE1 2.92Å; R538-E551 PolarHBondContact NE-OE1 2.78Å; R538-E551 IonicContact NH2-OE1 3.18Å; R538-E551 PolarHBondContact NH2-OE1 2.79Å; R538-E551 IonicContact NH2-OE2 3.56Å; R538-E551 PolarHBondContact NH2-OE2 3.19Å; L539-E551 CarbonylContact O-C 3.54Å; L539-E551 VanDerWaalsContact O-CA 3.24Å; L539-E551 WeakPolarHBondContact O-CA 3.32Å; V540-E551 HydrophobicContact CG2-CB 4.04Å
552	A	96.6	Very high	94.7	Very high	13 Å²	13	55.7 Å²	55.7	11%	0.107	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	157.5	170.1	0	0	0	0	0	109.9	R538 L539 L586 F590	R538-A552 CarbonylContact C-O 3.59Å; R538-A552 WeakPolarHBondContact CA-O 3.07Å; L539-A552 PolarHBondContact N-O 3.21Å; L539-A552 PolarHBondContact O-N 3.03Å; A552-L586 HydrophobicContact CB-CD2 3.87Å; A552-F590 HydrophobicContact CB-CE2 4.08Å
553	E	96.7	Very high	94.7	Very high	98 Å²	98	55 Å²	55	46%	0.458	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137	175.5	-163.9	-172.8	142.5	0	0	111.2	R537 R538	R537-E553 HydrophobicContact CB-CG 4.11Å; R537-E553 IonicContact CZ-OE1 3.38Å; R537-E553 IonicContact NE-OE1 3.48Å; R537-E553 PolarHBondContact NE-OE1 3.14Å; R537-E553 IonicContact NH2-OE1 3.54Å; R537-E553 PolarHBondContact NH2-OE1 3.24Å; R538-E553 HydrophobicContact CG-CB 4.17Å; R538-E553 HydrophobicContact CG-CG 4.06Å
554	I	97.6	Very high	94.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.32	C	S	.	.			trans	-81	129.7	173.8	-58.3	-51	0	0	0	110.3	R537 E556 F558 V561 V574 T576 L582 F590	R537-I554 HydrophobicContact CB-CB 4.31Å; R537-I554 WeakPolarHBondContact CD-O 3Å; R537-I554 PolarHBondContact NE-O 3.49Å; R537-I554 WeakPolarHBondContact O-CG1 3.5Å; R537-I554 PolarHBondContact O-N 2.66Å; I554-E556 PolarHBondContact O-N 3.24Å; I554-F558 HydrophobicContact CG2-CB 3.99Å; I554-F558 HydrophobicContact CG2-CD2 4.44Å; I554-V561 HydrophobicContact CG1-CG2 3.83Å; I554-V574 HydrophobicContact CD1-CG1 4.13Å; I554-V574 HydrophobicContact CG1-CG1 4.24Å; I554-T576 HydrophobicContact CG2-CG2 4.19Å; I554-L582 HydrophobicContact CD1-CD1 4.15Å; I554-L582 HydrophobicContact CG2-CD1 3.6Å; I554-F590 HydrophobicContact CD1-CB 4.15Å; I554-F590 HydrophobicContact CD1-CD2 3.5Å; I554-F590 HydrophobicContact CD1-CE2 4.08Å; I554-F590 HydrophobicContact CD1-CG 3.82Å
555	P	95.3	Very high	95.3	Very high	49 Å²	49	50.3 Å²	50.3	32%	0.318	29%	0.287	S	S	.	.			trans	-54.3	136.9	179.1	-28.7	34.7	0	0	0	114.2	H557 F558	P555-H557 PolarHBondContact O-N 3.1Å; P555-F558 HydrophobicContact CB-CD2 3.97Å; P555-F558 HydrophobicContact CB-CE2 4.29Å; P555-F558 HydrophobicContact CG-CD2 4.19Å; P555-F558 HydrophobicContact CG-CE2 4.29Å; P555-F558 PolarHBondContact O-N 2.87Å
556	E	94.3	Very high	95.7	Very high	130 Å²	130	47.9 Å²	47.9	61%	0.607	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-53.4	-34.3	-171.7	-177.5	157.6	157.7	0	0	114.8	R537 I554 F558 G559 K578	R537-E556 IonicContact CZ-OE2 3.75Å; R537-E556 VanDerWaalsContact NH1-CG 3.26Å; R537-E556 IonicContact NH1-OE2 2.65Å; R537-E556 PolarHBondContact NH1-OE2 3.36Å; R537-E556 IonicContact NH2-OE2 3.63Å; I554-E556 PolarHBondContact O-N 3.24Å; E556-F558 PolarHBondContact O-N 2.81Å; E556-G559 PolarHBondContact O-N 3.03Å; E556-K578 PolarHBondContact O-NZ 2.81Å
557	H	93.2	Very high	95.6	Very high	122 Å²	122	46.6 Å²	46.6	57%	0.565	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-66.7	-19.8	179.6	59.5	-99.7	0	0	0	113.2	P555 K578	P555-H557 PolarHBondContact O-N 3.1Å; H557-K578 WeakPolarHBondContact O-CD 3.38Å; H557-K578 PolarHBondContact O-NZ 2.94Å; H557-K578 VanDerWaalsContact O-NZ 3.15Å
558	F	95.6	Very high	95	Very high	11 Å²	11	48.2 Å²	48.2	5%	0.048	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-90.8	-10.7	170.3	-56.7	-57.9	0	0	0	114.3	I554 P555 E556 T576 K578 A580 L582 P592 Q595	I554-F558 HydrophobicContact CG2-CB 3.99Å; I554-F558 HydrophobicContact CG2-CD2 4.44Å; P555-F558 HydrophobicContact CB-CD2 3.97Å; P555-F558 HydrophobicContact CB-CE2 4.29Å; P555-F558 HydrophobicContact CG-CD2 4.19Å; P555-F558 HydrophobicContact CG-CE2 4.29Å; P555-F558 PolarHBondContact O-N 2.87Å; E556-F558 PolarHBondContact O-N 2.81Å; F558-T576 HydrophobicContact CB-CG2 4.07Å; F558-T576 WeakPolarHBondContact O-CB 3.44Å; F558-T576 PolarHBondContact O-OG1 2.95Å; F558-K578 WeakPolarHBondContact O-CB 3.32Å; F558-K578 PolarHBondContact O-N 2.86Å; F558-A580 HydrophobicContact CD1-CB 3.78Å; F558-A580 HydrophobicContact CE1-CB 4.37Å; F558-L582 HydrophobicContact CB-CD1 4.27Å; F558-L582 HydrophobicContact CD1-CD2 3.91Å; F558-L582 HydrophobicContact CD2-CD1 3.74Å; F558-L582 HydrophobicContact CD2-CD2 3.82Å; F558-L582 HydrophobicContact CD2-CG 4.45Å; F558-L582 HydrophobicContact CE1-CD2 3.92Å; F558-L582 HydrophobicContact CE2-CD1 4.29Å; F558-L582 HydrophobicContact CE2-CD2 3.81Å; F558-L582 HydrophobicContact CG-CD1 4.1Å; F558-L582 HydrophobicContact CG-CD2 3.87Å; F558-L582 HydrophobicContact CZ-CD2 3.87Å; F558-P592 HydrophobicContact CE1-CB 3.98Å; F558-P592 HydrophobicContact CE1-CG 4.34Å; F558-P592 HydrophobicContact CZ-CB 3.83Å; F558-P592 HydrophobicContact CZ-CG 3.8Å; F558-Q595 HydrophobicContact CE1-CG 4.41Å
559	G	95.9	Very high	94.5	Very high	11 Å²	11	48.6 Å²	48.6	11%	0.113	26%	0.262	C	S	.	.			trans	77.9	-152.2	-178.9	0	0	0	0	0	113.7	E556	E556-G559 PolarHBondContact O-N 3.03Å
560	A	96.7	Very high	94.1	Very high	9 Å²	9	48.5 Å²	48.5	7%	0.074	27%	0.269	C	S	.	.	S	Bend	trans	-92.7	166	-173.6	0	0	0	0	0	112.8	G534 T576 T577	G534-A560 WeakPolarHBondContact O-CB 3.03Å; A560-T576 CarbonylContact O-C 3.56Å; A560-T576 VanDerWaalsContact O-CA 3.26Å; A560-T576 WeakPolarHBondContact O-CA 3.39Å; A560-T576 WeakPolarHBondContact O-CB 3.49Å; A560-T577 HydrophobicContact CB-CG2 4.03Å; A560-T577 PolarHBondContact N-OG1 2.87Å; A560-T577 PolarHBondContact O-N 3.04Å
561	V	97.7	Very high	93.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	133.7	175.4	-179.4	0	0	0	0	109.9	F519 A520 G533 L539 I554 I564 V574	F519-V561 WeakPolarHBondContact CB-O 3.33Å; F519-V561 WeakPolarHBondContact CD2-O 3.49Å; A520-V561 HydrophobicContact CB-CG1 4.47Å; G533-V561 PolarHBondContact O-N 2.92Å; L539-V561 HydrophobicContact CD1-CG1 4.45Å; I554-V561 HydrophobicContact CG1-CG2 3.83Å; V561-I564 HydrophobicContact CG1-CD1 4.24Å; V561-I564 HydrophobicContact CG1-CG1 3.81Å; V561-V574 HydrophobicContact CG1-CG1 4.09Å; V561-V574 HydrophobicContact CG2-CG1 4.1Å
562	R	97.3	Very high	93.9	Very high	31 Å²	31	40.7 Å²	40.7	12%	0.117	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-40.8	173.6	175.7	66	81.1	-132.2	4	113	G259 R260 S262 F519 G575 T577	G259-R562 WeakPolarHBondContact O-CG 3.36Å; G259-R562 PolarHBondContact O-NE 2.99Å; R260-R562 PolarHBondContact O-NH2 2.75Å; S262-R562 WeakPolarHBondContact O-CD 3.37Å; S262-R562 WeakPolarHBondContact O-CG 3.49Å; S262-R562 PolarHBondContact O-NE 3.42Å; F519-R562 VanDerWaalsContact CE2-NH1 3.32Å; R562-G575 WeakPolarHBondContact CA-O 3.09Å; R562-G575 WeakPolarHBondContact CB-O 3.11Å; R562-G575 PolarHBondContact N-O 3.4Å; R562-T577 HydrophobicContact CB-CG2 4.42Å
563	A	97.4	Very high	93.9	Very high	5 Å²	5	40.1 Å²	40.1	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.7	-179.8	0	0	0	0	0	110.1	Y257 L266 V574 G575	Y257-A563 WeakPolarHBondContact OH-CB 3.34Å; L266-A563 HydrophobicContact CB-CB 3.89Å; L266-A563 HydrophobicContact CD2-CB 4.32Å; A563-V574 WeakPolarHBondContact O-CA 3.25Å; A563-G575 PolarHBondContact N-O 2.8Å; A563-G575 PolarHBondContact O-N 3.41Å
564	I	97.8	Very high	93.9	Very high	16 Å²	16	35.4 Å²	35.4	8%	0.082	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137	-179.1	-55	160.7	0	0	0	107.1	A520 C522 L530 L539 V561 L573	A520-I564 HydrophobicContact CB-CB 4.49Å; A520-I564 HydrophobicContact CB-CD1 3.63Å; A520-I564 HydrophobicContact CB-CG1 3.78Å; C522-I564 HydrophobicContact CB-CB 4.07Å; C522-I564 HydrophobicContact CB-CG2 3.91Å; L530-I564 HydrophobicContact CB-CD1 4.19Å; L530-I564 HydrophobicContact CB-CG2 4.27Å; L530-I564 HydrophobicContact CD1-CG2 3.79Å; L539-I564 HydrophobicContact CD1-CD1 3.43Å; L539-I564 VanDerWaalsContact CD1-CD1 3.43Å; L539-I564 HydrophobicContact CD1-CG1 3.7Å; L539-I564 HydrophobicContact CD1-CG2 4.47Å; V561-I564 HydrophobicContact CG1-CD1 4.24Å; V561-I564 HydrophobicContact CG1-CG1 3.81Å; I564-L573 CarbonylContact C-O 3.59Å; I564-L573 WeakPolarHBondContact CA-O 3.26Å
565	A	96.1	Very high	94	Very high	9 Å²	9	35.4 Å²	35.4	7%	0.074	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.3	167.9	0	0	0	0	0	111	L266 V268 L573	L266-A565 HydrophobicContact CD2-CB 4.5Å; L266-A565 HydrophobicContact CG-CB 4.13Å; V268-A565 HydrophobicContact CG2-CB 4.36Å; A565-L573 HydrophobicContact CB-CB 4.38Å; A565-L573 PolarHBondContact N-O 3.17Å; A565-L573 PolarHBondContact O-N 2.84Å
566	E	94.6	Very high	94.1	Very high	30 Å²	30	33.1 Å²	33.1	14%	0.14	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	122.1	174.5	-169.5	-173.8	157.2	0	0	110.3	Q524 R525	Q524-E566 WeakPolarHBondContact CA-OE2 3.28Å; R525-E566 VanDerWaalsContact CD-OE1 3.26Å; R525-E566 WeakPolarHBondContact CD-OE1 3.49Å; R525-E566 VanDerWaalsContact CG-OE1 3.31Å; R525-E566 WeakPolarHBondContact CG-OE1 3.06Å; R525-E566 WeakPolarHBondContact CG-OE2 3.29Å; R525-E566 IonicContact CZ-OE1 3.36Å; R525-E566 VanDerWaalsContact CZ-OE1 3.23Å; R525-E566 PolarHBondContact N-OE2 2.89Å; R525-E566 IonicContact NE-OE1 2.69Å; R525-E566 PolarHBondContact NE-OE1 2.74Å; R525-E566 VanDerWaalsContact NH1-CD 3.31Å; R525-E566 IonicContact NH1-OE1 3.53Å; R525-E566 PolarHBondContact NH1-OE1 3.37Å
567	G	89.1	Confident	94.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	17%	0.172	C	C	.	.			trans	-83.1	-150.6	176.4	0	0	0	0	0	112.8	R525 E571	R525-G567 VanDerWaalsContact CZ-O 3.3Å; R525-G567 PolarHBondContact NH1-O 3.16Å; R525-G567 PolarHBondContact NH2-O 3.34Å; G567-E571 WeakPolarHBondContact CA-O 3.4Å; G567-E571 PolarHBondContact N-O 2.88Å
568	L	82.4	Confident	94.4	Very high	124 Å²	124	26.9 Å²	26.9	65%	0.649	16%	0.163	S	C	*	.	S	Bend	trans	-92.3	133.7	175.2	-63.9	176	0	0	0	110.6	E571	L568-E571 VanDerWaalsContact O-CB 3.26Å; L568-E571 WeakPolarHBondContact O-CB 3.38Å; L568-E571 PolarHBondContact O-N 3.49Å
569	G	84.9	Confident	94.5	Very high	63 Å²	63	26.8 Å²	26.8	65%	0.649	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	-131.8	-173.9	0	0	0	0	0	111.8	E571	G569-E571 VanDerWaalsContact C-N 3.3Å
570	S	85.6	Confident	94.5	Very high	92 Å²	92	26.3 Å²	26.3	64%	0.643	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	1	176.9	53.5	0	0	0	0	114.3
571	E	91.6	Very high	94.5	Very high	36 Å²	36	25.9 Å²	25.9	17%	0.168	16%	0.155	C	C	.	.			trans	-67	137.9	-175.8	-179.5	174.8	107.1	0	0	112.6	G567 L568 G569 R583	G567-E571 WeakPolarHBondContact CA-O 3.4Å; G567-E571 PolarHBondContact N-O 2.88Å; L568-E571 VanDerWaalsContact O-CB 3.26Å; L568-E571 WeakPolarHBondContact O-CB 3.38Å; L568-E571 PolarHBondContact O-N 3.49Å; G569-E571 VanDerWaalsContact C-N 3.3Å; E571-R583 VanDerWaalsContact CD-NE 3.25Å; E571-R583 HydrophobicContact CG-CG 4.17Å; E571-R583 IonicContact OE1-CZ 2.76Å; E571-R583 IonicContact OE1-NE 3.91Å; E571-R583 IonicContact OE1-NH2 2.86Å; E571-R583 IonicContact OE2-CZ 3.18Å; E571-R583 IonicContact OE2-NE 2.82Å; E571-R583 PolarHBondContact OE2-NE 3.22Å; E571-R583 IonicContact OE2-NH2 3.54Å; E571-R583 PolarHBondContact OE2-NH2 3.18Å
572	L	95.4	Very high	94.4	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.3	174.7	-60	-179.8	0	0	0	110.6	L530 L539 G584 L586 F590	L530-L572 HydrophobicContact CD1-CD1 3.78Å; L530-L572 HydrophobicContact CD1-CD2 3.48Å; L530-L572 VanDerWaalsContact CD1-CD2 3.48Å; L530-L572 HydrophobicContact CD1-CG 4.28Å; L530-L572 HydrophobicContact CD2-CD1 4.05Å; L539-L572 HydrophobicContact CD2-CD1 3.99Å; L572-G584 PolarHBondContact N-O 3.03Å; L572-G584 PolarHBondContact O-N 2.86Å; L572-G584 VanDerWaalsContact O-N 3.08Å; L572-L586 HydrophobicContact CD1-CD1 4.41Å; L572-L586 HydrophobicContact CD1-CD2 4.26Å; L572-L586 HydrophobicContact CD1-CG 3.95Å; L572-F590 HydrophobicContact CB-CE1 3.89Å; L572-F590 HydrophobicContact CB-CZ 4.07Å; L572-F590 HydrophobicContact CD1-CZ 4.37Å
573	L	96.6	Very high	94.3	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.8	176.4	-68.8	160.4	0	0	0	109.3	L266 V268 V274 I564 A565 L581 L582 R583	L266-L573 HydrophobicContact CD2-CB 4.22Å; V268-L573 HydrophobicContact CG2-CD1 3.48Å; V268-L573 VanDerWaalsContact CG2-CD1 3.48Å; V274-L573 HydrophobicContact CB-CD1 4.37Å; V274-L573 HydrophobicContact CG1-CD1 3.94Å; V274-L573 HydrophobicContact CG2-CD1 3.49Å; V274-L573 VanDerWaalsContact CG2-CD1 3.49Å; V274-L573 HydrophobicContact CG2-CD2 4.3Å; I564-L573 CarbonylContact C-O 3.59Å; I564-L573 WeakPolarHBondContact CA-O 3.26Å; A565-L573 HydrophobicContact CB-CB 4.38Å; A565-L573 PolarHBondContact N-O 3.17Å; A565-L573 PolarHBondContact O-N 2.84Å; L573-L581 HydrophobicContact CB-CD1 4.4Å; L573-L582 WeakPolarHBondContact CA-O 3.31Å; L573-R583 HydrophobicContact CD2-CB 4Å; L573-R583 HydrophobicContact CD2-CG 4.06Å
574	V	97.8	Very high	94.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	111.1	-173.4	180	0	0	0	0	109.9	L539 I554 V561 A563 T576 L582 F590	L539-V574 HydrophobicContact CD2-CG2 3.95Å; I554-V574 HydrophobicContact CD1-CG1 4.13Å; I554-V574 HydrophobicContact CG1-CG1 4.24Å; V561-V574 HydrophobicContact CG1-CG1 4.09Å; V561-V574 HydrophobicContact CG2-CG1 4.1Å; A563-V574 WeakPolarHBondContact O-CA 3.25Å; V574-T576 HydrophobicContact CG1-CG2 4.3Å; V574-L582 HydrophobicContact CB-CB 4.42Å; V574-L582 PolarHBondContact N-O 3.37Å; V574-L582 PolarHBondContact O-N 3.25Å; V574-F590 HydrophobicContact CB-CD1 4.5Å; V574-F590 HydrophobicContact CB-CE1 4.49Å; V574-F590 HydrophobicContact CG2-CD1 3.97Å; V574-F590 HydrophobicContact CG2-CE1 3.53Å; V574-F590 HydrophobicContact CG2-CZ 3.9Å
575	G	98.2	Very high	93.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129.7	169.4	0	0	0	0	0	110	R562 A563	R562-G575 WeakPolarHBondContact CA-O 3.09Å; R562-G575 WeakPolarHBondContact CB-O 3.11Å; R562-G575 PolarHBondContact N-O 3.4Å; A563-G575 PolarHBondContact N-O 2.8Å; A563-G575 PolarHBondContact O-N 3.41Å
576	T	98.3	Very high	93.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	166	-171	79.8	0	0	0	0	114.1	G259 I554 F558 A560 V574 K578 N579 A580 L582	G259-T576 VanDerWaalsContact CA-O 3.29Å; G259-T576 WeakPolarHBondContact CA-O 3.38Å; I554-T576 HydrophobicContact CG2-CG2 4.19Å; F558-T576 HydrophobicContact CB-CG2 4.07Å; F558-T576 WeakPolarHBondContact O-CB 3.44Å; F558-T576 PolarHBondContact O-OG1 2.95Å; A560-T576 CarbonylContact O-C 3.56Å; A560-T576 VanDerWaalsContact O-CA 3.26Å; A560-T576 WeakPolarHBondContact O-CA 3.39Å; A560-T576 WeakPolarHBondContact O-CB 3.49Å; V574-T576 HydrophobicContact CG1-CG2 4.3Å; T576-K578 PolarHBondContact O-N 3.16Å; T576-K578 PolarHBondContact OG1-N 2.98Å; T576-N579 PolarHBondContact O-N 2.8Å; T576-A580 PolarHBondContact N-O 2.88Å; T576-L582 HydrophobicContact CG2-CD1 3.76Å; T576-L582 HydrophobicContact CG2-CG 3.92Å
577	T	97	Very high	93.8	Very high	35 Å²	35	32.2 Å²	32.2	22%	0.215	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-16	178	60.4	0	0	0	0	114.6	A560 R562	A560-T577 HydrophobicContact CB-CG2 4.03Å; A560-T577 PolarHBondContact N-OG1 2.87Å; A560-T577 PolarHBondContact O-N 3.04Å; R562-T577 HydrophobicContact CB-CG2 4.42Å
578	K	96.6	Very high	93.9	Very high	87 Å²	87	40 Å²	40	38%	0.378	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	42.4	173	-67.5	177.5	164.6	177.5	0	112.4	E556 H557 F558 T576 A580 T598	E556-K578 PolarHBondContact O-NZ 2.81Å; H557-K578 WeakPolarHBondContact O-CD 3.38Å; H557-K578 PolarHBondContact O-NZ 2.94Å; H557-K578 VanDerWaalsContact O-NZ 3.15Å; F558-K578 WeakPolarHBondContact O-CB 3.32Å; F558-K578 PolarHBondContact O-N 2.86Å; T576-K578 PolarHBondContact O-N 3.16Å; T576-K578 PolarHBondContact OG1-N 2.98Å; K578-A580 PolarHBondContact O-N 3.31Å; K578-T598 HydrophobicContact CB-CG2 3.75Å; K578-T598 HydrophobicContact CG-CG2 4.26Å
579	N	97.4	Very high	94.4	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.043	22%	0.217	C	C	.	.	S	Bend	trans	55.3	24.1	169	-70.5	-1.1	0	0	0	116.4	Y257 G259 R260 T576 H597 T598	Y257-N579 PolarHBondContact N-O 2.88Å; Y257-N579 CarbonylContact O-C 3.56Å; Y257-N579 WeakPolarHBondContact O-CA 3.39Å; Y257-N579 WeakPolarHBondContact O-CB 3.35Å; Y257-N579 PolarHBondContact O-OD1 2.98Å; Y257-N579 VanDerWaalsContact O-OD1 3.1Å; G259-N579 PolarHBondContact N-OD1 2.76Å; R260-N579 WeakPolarHBondContact CB-OD1 3.13Å; R260-N579 PolarHBondContact N-OD1 3.39Å; T576-N579 PolarHBondContact O-N 2.8Å; N579-H597 WeakPolarHBondContact CB-O 3.08Å; N579-H597 PolarHBondContact ND2-O 2.94Å; N579-T598 HydrophobicContact CB-CG2 4.21Å
580	A	96.6	Very high	94.9	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.017	19%	0.191	C	C	.	.			trans	-101.6	150.9	173.3	0	0	0	0	0	111.4	Y257 F558 T576 K578 L582 I594 Q595	Y257-A580 VanDerWaalsContact CD1-O 3.29Å; Y257-A580 WeakPolarHBondContact CD1-O 3.34Å; F558-A580 HydrophobicContact CD1-CB 3.78Å; F558-A580 HydrophobicContact CE1-CB 4.37Å; T576-A580 PolarHBondContact N-O 2.88Å; K578-A580 PolarHBondContact O-N 3.31Å; A580-L582 HydrophobicContact CB-CD2 4.12Å; A580-I594 CarbonylContact C-O 3.55Å; A580-I594 WeakPolarHBondContact CA-O 3.37Å; A580-Q595 HydrophobicContact CB-CG 4.34Å
581	L	96.5	Very high	95.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.2	164.8	176.5	62.3	0	0	0	108	L266 V274 Y276 L573 V593 I594	L266-L581 HydrophobicContact CD1-CD1 3.6Å; L266-L581 HydrophobicContact CD1-CD2 4.26Å; L266-L581 HydrophobicContact CD2-CD1 3.55Å; L266-L581 HydrophobicContact CG-CD1 4.23Å; V274-L581 HydrophobicContact CG1-CD2 3.99Å; Y276-L581 HydrophobicContact CD1-CD2 4.19Å; Y276-L581 HydrophobicContact CE1-CD2 4.15Å; L573-L581 HydrophobicContact CB-CD1 4.4Å; L581-V593 HydrophobicContact CB-CG2 4.31Å; L581-V593 HydrophobicContact CD2-CG2 4.03Å; L581-V593 HydrophobicContact CG-CG2 3.81Å; L581-V593 WeakPolarHBondContact O-CG2 3.46Å; L581-V593 PolarHBondContact O-N 2.88Å; L581-I594 HydrophobicContact CB-CB 4.01Å; L581-I594 HydrophobicContact CB-CG1 4.4Å; L581-I594 HydrophobicContact CD2-CG1 4.27Å; L581-I594 PolarHBondContact N-O 3.31Å; L581-I594 PolarHBondContact O-N 2.86Å
582	L	96.1	Very high	95.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	151.2	179.1	-43.4	179.7	0	0	0	110.6	I554 F558 L573 V574 T576 A580 F590 S591 P592	I554-L582 HydrophobicContact CD1-CD1 4.15Å; I554-L582 HydrophobicContact CG2-CD1 3.6Å; F558-L582 HydrophobicContact CB-CD1 4.27Å; F558-L582 HydrophobicContact CD1-CD2 3.91Å; F558-L582 HydrophobicContact CD2-CD1 3.74Å; F558-L582 HydrophobicContact CD2-CD2 3.82Å; F558-L582 HydrophobicContact CD2-CG 4.45Å; F558-L582 HydrophobicContact CE1-CD2 3.92Å; F558-L582 HydrophobicContact CE2-CD1 4.29Å; F558-L582 HydrophobicContact CE2-CD2 3.81Å; F558-L582 HydrophobicContact CG-CD1 4.1Å; F558-L582 HydrophobicContact CG-CD2 3.87Å; F558-L582 HydrophobicContact CZ-CD2 3.87Å; L573-L582 WeakPolarHBondContact CA-O 3.31Å; V574-L582 HydrophobicContact CB-CB 4.42Å; V574-L582 PolarHBondContact N-O 3.37Å; V574-L582 PolarHBondContact O-N 3.25Å; T576-L582 HydrophobicContact CG2-CD1 3.76Å; T576-L582 HydrophobicContact CG2-CG 3.92Å; A580-L582 HydrophobicContact CB-CD2 4.12Å; L582-F590 HydrophobicContact CB-CB 4.05Å; L582-F590 HydrophobicContact CB-CD1 4.39Å; L582-F590 HydrophobicContact CD1-CB 4.16Å; L582-S591 CarbonylContact C-O 3.21Å; L582-S591 WeakPolarHBondContact CA-O 3.44Å; L582-P592 HydrophobicContact CD2-CB 3.92Å
583	R	94.2	Very high	95.2	Very high	74 Å²	74	34.6 Å²	34.6	28%	0.279	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.8	177.5	-176.2	-173	-176.7	174	14.6	108.9	P287 E571 L573 S591 V593	P287-R583 PolarHBondContact O-NH1 3.03Å; E571-R583 VanDerWaalsContact CD-NE 3.25Å; E571-R583 HydrophobicContact CG-CG 4.17Å; E571-R583 IonicContact OE1-CZ 2.76Å; E571-R583 IonicContact OE1-NE 3.91Å; E571-R583 IonicContact OE1-NH2 2.86Å; E571-R583 IonicContact OE2-CZ 3.18Å; E571-R583 IonicContact OE2-NE 2.82Å; E571-R583 PolarHBondContact OE2-NE 3.22Å; E571-R583 IonicContact OE2-NH2 3.54Å; E571-R583 PolarHBondContact OE2-NH2 3.18Å; L573-R583 HydrophobicContact CD2-CB 4Å; L573-R583 HydrophobicContact CD2-CG 4.06Å; R583-S591 PolarHBondContact N-O 2.88Å; R583-S591 PolarHBondContact O-N 3.05Å; R583-S591 PolarHBondContact O-OG 3.48Å; R583-V593 HydrophobicContact CB-CG1 3.64Å; R583-V593 HydrophobicContact CB-CG2 4.2Å
584	G	93.7	Very high	95.1	Very high	17 Å²	17	34.9 Å²	34.9	18%	0.175	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.1	-156.5	-179	0	0	0	0	0	113.4	L572 G589	L572-G584 PolarHBondContact N-O 3.03Å; L572-G584 PolarHBondContact O-N 2.86Å; L572-G584 VanDerWaalsContact O-N 3.08Å; G584-G589 VanDerWaalsContact CA-O 3.24Å; G584-G589 WeakPolarHBondContact CA-O 3.22Å
585	D	94.2	Very high	94.9	Very high	38 Å²	38	37.2 Å²	37.2	20%	0.203	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	174.4	171.4	68.2	59.7	0	0	0	110.7	A587 Q588 G589	D585-A587 VanDerWaalsContact C-N 3.28Å; D585-A587 PolarHBondContact O-N 3.21Å; D585-A587 WeakPolarHBondContact OD1-CA 3.3Å; D585-A587 WeakPolarHBondContact OD1-CB 3.14Å; D585-A587 PolarHBondContact OD1-N 2.83Å; D585-Q588 PolarHBondContact OD1-N 3.09Å; D585-G589 PolarHBondContact N-O 3.36Å; D585-G589 VanDerWaalsContact N-O 3.16Å; D585-G589 CarbonylContact O-C 3.54Å; D585-G589 VanDerWaalsContact O-CA 3.31Å; D585-G589 WeakPolarHBondContact O-CA 3.29Å; D585-G589 PolarHBondContact O-N 3.09Å
586	L	94.9	Very high	94.8	Very high	21 Å²	21	37.9 Å²	37.9	11%	0.11	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.4	-175.6	-64.2	173.4	0	0	0	114.2	L530 L539 Q541 Q550 A552 L572	L530-L586 HydrophobicContact CD2-CD1 4.07Å; L539-L586 HydrophobicContact CB-CD2 4.28Å; L539-L586 HydrophobicContact CD2-CD2 3.81Å; L539-L586 HydrophobicContact CG-CD2 4.12Å; Q541-L586 HydrophobicContact CB-CD1 3.66Å; Q541-L586 HydrophobicContact CG-CD1 4.42Å; Q550-L586 HydrophobicContact CB-CB 4.3Å; Q550-L586 HydrophobicContact CB-CD1 3.89Å; A552-L586 HydrophobicContact CB-CD2 3.87Å; L572-L586 HydrophobicContact CD1-CD1 4.41Å; L572-L586 HydrophobicContact CD1-CD2 4.26Å; L572-L586 HydrophobicContact CD1-CG 3.95Å
587	A	93.4	Very high	94.8	Very high	74 Å²	74	38 Å²	38	61%	0.612	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-32.4	-177.6	0	0	0	0	0	112.9	D585	D585-A587 VanDerWaalsContact C-N 3.28Å; D585-A587 PolarHBondContact O-N 3.21Å; D585-A587 WeakPolarHBondContact OD1-CA 3.3Å; D585-A587 WeakPolarHBondContact OD1-CB 3.14Å; D585-A587 PolarHBondContact OD1-N 2.83Å
588	Q	90.9	Very high	94.8	Very high	163 Å²	163	37.6 Å²	37.6	76%	0.762	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-14.3	177.5	-56.7	-52.9	-74.3	0	0	113.2	D585	D585-Q588 PolarHBondContact OD1-N 3.09Å
589	G	93.1	Very high	94.8	Very high	26 Å²	26	36 Å²	36	27%	0.268	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	78.9	-162.2	-173.6	0	0	0	0	0	112.6	G584 D585	G584-G589 VanDerWaalsContact CA-O 3.24Å; G584-G589 WeakPolarHBondContact CA-O 3.22Å; D585-G589 PolarHBondContact N-O 3.36Å; D585-G589 VanDerWaalsContact N-O 3.16Å; D585-G589 CarbonylContact O-C 3.54Å; D585-G589 VanDerWaalsContact O-CA 3.31Å; D585-G589 WeakPolarHBondContact O-CA 3.29Å; D585-G589 PolarHBondContact O-N 3.09Å
590	F	94.8	Very high	94.9	Very high	25 Å²	25	36.8 Å²	36.8	11%	0.11	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.2	-165.3	-69.8	-84.8	0	0	0	112.9	L539 A552 I554 L572 V574 L582	L539-F590 HydrophobicContact CD2-CE1 4.48Å; L539-F590 HydrophobicContact CD2-CE2 3.89Å; L539-F590 HydrophobicContact CD2-CZ 3.51Å; A552-F590 HydrophobicContact CB-CE2 4.08Å; I554-F590 HydrophobicContact CD1-CB 4.15Å; I554-F590 HydrophobicContact CD1-CD2 3.5Å; I554-F590 HydrophobicContact CD1-CE2 4.08Å; I554-F590 HydrophobicContact CD1-CG 3.82Å; L572-F590 HydrophobicContact CB-CE1 3.89Å; L572-F590 HydrophobicContact CB-CZ 4.07Å; L572-F590 HydrophobicContact CD1-CZ 4.37Å; V574-F590 HydrophobicContact CB-CD1 4.5Å; V574-F590 HydrophobicContact CB-CE1 4.49Å; V574-F590 HydrophobicContact CG2-CD1 3.97Å; V574-F590 HydrophobicContact CG2-CE1 3.53Å; V574-F590 HydrophobicContact CG2-CZ 3.9Å; L582-F590 HydrophobicContact CB-CB 4.05Å; L582-F590 HydrophobicContact CB-CD1 4.39Å; L582-F590 HydrophobicContact CD1-CB 4.16Å
591	S	92.5	Very high	94.9	Very high	68 Å²	68	36.7 Å²	36.7	48%	0.476	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149.7	173.9	59.3	0	0	0	0	111.4	L582 R583	L582-S591 CarbonylContact C-O 3.21Å; L582-S591 WeakPolarHBondContact CA-O 3.44Å; R583-S591 PolarHBondContact N-O 2.88Å; R583-S591 PolarHBondContact O-N 3.05Å; R583-S591 PolarHBondContact O-OG 3.48Å
592	P	93.4	Very high	95	Very high	53 Å²	53	40.5 Å²	40.5	34%	0.344	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.5	178.1	29.9	-34.7	0	0	0	111.9	F558 L582 Q595	F558-P592 HydrophobicContact CE1-CB 3.98Å; F558-P592 HydrophobicContact CE1-CG 4.34Å; F558-P592 HydrophobicContact CZ-CB 3.83Å; F558-P592 HydrophobicContact CZ-CG 3.8Å; L582-P592 HydrophobicContact CD2-CB 3.92Å; P592-Q595 HydrophobicContact CB-CG 3.83Å
593	V	92.2	Very high	95.1	Very high	35 Å²	35	40.6 Å²	40.6	21%	0.212	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-23.9	170	-67	0	0	0	0	113.1	Y285 L581 R583	Y285-V593 HydrophobicContact CE1-CB 3.98Å; Y285-V593 HydrophobicContact CE1-CG2 4.01Å; L581-V593 HydrophobicContact CB-CG2 4.31Å; L581-V593 HydrophobicContact CD2-CG2 4.03Å; L581-V593 HydrophobicContact CG-CG2 3.81Å; L581-V593 WeakPolarHBondContact O-CG2 3.46Å; L581-V593 PolarHBondContact O-N 2.88Å; R583-V593 HydrophobicContact CB-CG1 3.64Å; R583-V593 HydrophobicContact CB-CG2 4.2Å
594	I	95.1	Very high	95.3	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.6	165.7	-54.4	-72.9	0	0	0	107.9	W253 Y276 Y285 A580 L581	W253-I594 HydrophobicContact CZ2-CD1 3.91Å; Y276-I594 HydrophobicContact CE1-CG1 4.33Å; Y276-I594 WeakPolarHBondContact OH-CD1 3.49Å; Y276-I594 WeakPolarHBondContact OH-CG1 3.32Å; Y285-I594 HydrophobicContact CD1-CG1 4.47Å; Y285-I594 HydrophobicContact CG-CD1 4.49Å; A580-I594 CarbonylContact C-O 3.55Å; A580-I594 WeakPolarHBondContact CA-O 3.37Å; L581-I594 HydrophobicContact CB-CB 4.01Å; L581-I594 HydrophobicContact CB-CG1 4.4Å; L581-I594 HydrophobicContact CD2-CG1 4.27Å; L581-I594 PolarHBondContact N-O 3.31Å; L581-I594 PolarHBondContact O-N 2.86Å
595	Q	95	Very high	95.5	Very high	49 Å²	49	36.7 Å²	36.7	23%	0.229	21%	0.212	C	C	.	.			trans	-131.2	161	171.8	-68.1	178.1	-104.5	0	0	109.5	G256 F558 A580 P592 W625 L632	G256-Q595 WeakPolarHBondContact CA-O 3.36Å; G256-Q595 PolarHBondContact N-O 3.39Å; F558-Q595 HydrophobicContact CE1-CG 4.41Å; A580-Q595 HydrophobicContact CB-CG 4.34Å; P592-Q595 HydrophobicContact CB-CG 3.83Å; Q595-W625 HydrophobicContact CB-CH2 4.18Å; Q595-W625 HydrophobicContact CB-CZ3 4.22Å; Q595-L632 VanDerWaalsContact NE2-CD2 3.31Å
596	G	95.1	Very high	95.7	Very high	15 Å²	15	36.1 Å²	36.1	16%	0.155	21%	0.21	C	C	.	.			trans	-170.2	176.1	175.5	0	0	0	0	0	110.8
597	H	98.2	Very high	95.9	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	21%	0.206	C	C	.	.			trans	-75.4	167.5	177.6	-74	-100.5	0	0	0	111.7	N579 L601 T615 D619 Q621 C623 A863	N579-H597 WeakPolarHBondContact CB-O 3.08Å; N579-H597 PolarHBondContact ND2-O 2.94Å; H597-L601 HydrophobicContact CB-CD1 4.06Å; H597-L601 HydrophobicContact CB-CD2 3.69Å; H597-L601 HydrophobicContact CB-CG 3.99Å; H597-T615 PolarHBondContact NE2-OG1 2.64Å; H597-D619 WeakPolarHBondContact CA-OD2 3.41Å; H597-D619 VanDerWaalsContact CB-OD2 3.3Å; H597-D619 WeakPolarHBondContact CB-OD2 3.24Å; H597-D619 IonicContact CE1-OD1 3.63Å; H597-D619 IonicContact CG-OD1 3.78Å; H597-D619 IonicContact CG-OD2 3.68Å; H597-D619 IonicContact ND1-OD1 3.66Å; H597-D619 PolarHBondContact ND1-OD1 3.35Å; H597-D619 IonicContact ND1-OD2 3.57Å; H597-D619 PolarHBondContact ND1-OD2 3.32Å; H597-Q621 PolarHBondContact CE1-O 3.04Å; H597-C623 VanDerWaalsContact CE1-SG 3.6Å; H597-C623 PolarHBondContact NE2-SG 2.89Å; H597-A863 HydrophobicContact CB-CB 4.47Å; H597-A863 WeakPolarHBondContact O-CB 3.38Å
598	T	97.2	Very high	96.1	Very high	27 Å²	27	34.4 Å²	34.4	17%	0.166	19%	0.193	C	C	.	.	S	Bend	trans	-119.4	-4.8	-172.9	64	0	0	0	0	114	R260 K578 N579 D619	R260-T598 WeakPolarHBondContact CD-O 3.37Å; R260-T598 VanDerWaalsContact CZ-O 3.23Å; R260-T598 PolarHBondContact NE-O 3.03Å; R260-T598 PolarHBondContact NH1-O 3.2Å; K578-T598 HydrophobicContact CB-CG2 3.75Å; K578-T598 HydrophobicContact CG-CG2 4.26Å; N579-T598 HydrophobicContact CB-CG2 4.21Å; T598-D619 PolarHBondContact N-OD2 3.48Å; T598-D619 WeakPolarHBondContact OG1-CB 3.22Å; T598-D619 PolarHBondContact OG1-OD2 3.35Å
599	D	97.4	Very high	96.4	Very high	54 Å²	54	30 Å²	30	29%	0.289	18%	0.181	S	C	.	.	S	Bend	trans	-150.4	-177	179.3	-137.8	-59.2	0	0	0	110	R260 L601 H618 D619	R260-D599 IonicContact CZ-OD2 3.53Å; R260-D599 IonicContact NH1-OD2 2.7Å; R260-D599 PolarHBondContact NH1-OD2 3.37Å; R260-D599 IonicContact NH2-OD2 3.52Å; R260-D599 PolarHBondContact NH2-OD2 3.08Å; D599-L601 PolarHBondContact O-N 2.93Å; D599-H618 HydrophobicContact CB-CB 4.11Å; D599-D619 HydrophobicContact CB-CB 3.85Å
600	E	97.9	Very high	96.6	Very high	24 Å²	24	32.2 Å²	32.2	11%	0.112	18%	0.184	C	C	.	.			trans	-60.5	128.1	-169.3	179.1	169.5	-156.1	0	0	114.9	G617 H618 G860 K861	E600-G617 CarbonylContact O-C 3.57Å; E600-G617 WeakPolarHBondContact O-CA 3.26Å; E600-H618 HydrophobicContact CB-CB 4.3Å; E600-H618 WeakPolarHBondContact O-CB 3.38Å; E600-H618 PolarHBondContact O-CD2 3.24Å; E600-H618 PolarHBondContact O-N 2.84Å; E600-H618 IonicContact OE2-CE1 3.99Å; E600-H618 PolarHBondContact OE2-CE1 2.83Å; E600-H618 IonicContact OE2-ND1 2.95Å; E600-G860 WeakPolarHBondContact CA-O 3.37Å; E600-K861 HydrophobicContact CB-CG 3.97Å; E600-K861 HydrophobicContact CG-CG 3.75Å; E600-K861 WeakPolarHBondContact OE1-CE 3.48Å; E600-K861 WeakPolarHBondContact OE1-CG 3.5Å; E600-K861 IonicContact OE1-NZ 3.81Å; E600-K861 PolarHBondContact OE1-NZ 3.23Å; E600-K861 VanDerWaalsContact OE2-CE 3.29Å; E600-K861 WeakPolarHBondContact OE2-CE 3.45Å; E600-K861 IonicContact OE2-NZ 3.74Å; E600-K861 PolarHBondContact OE2-NZ 3.35Å
601	L	97.4	Very high	96.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	141.5	-175.1	-75.6	175.9	0	0	0	113.6	H597 D599 T844 L858 G860 I865	H597-L601 HydrophobicContact CB-CD1 4.06Å; H597-L601 HydrophobicContact CB-CD2 3.69Å; H597-L601 HydrophobicContact CB-CG 3.99Å; D599-L601 PolarHBondContact O-N 2.93Å; L601-T844 WeakPolarHBondContact O-CB 3.46Å; L601-T844 WeakPolarHBondContact O-CG2 3.29Å; L601-T844 PolarHBondContact O-OG1 3.05Å; L601-L858 HydrophobicContact CB-CB 4.21Å; L601-L858 HydrophobicContact CB-CD1 4.16Å; L601-L858 HydrophobicContact CD1-CD2 4.3Å; L601-G860 PolarHBondContact N-O 3.39Å; L601-G860 VanDerWaalsContact N-O 3.08Å; L601-I865 HydrophobicContact CD1-CG1 4.03Å
602	W	98.2	Very high	96.9	Very high	81 Å²	81	31.7 Å²	31.7	31%	0.307	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	-43.5	175.9	-77.4	93.1	0	0	0	113.9	L604 C616 H618 L643 N799 T844	W602-L604 PolarHBondContact O-N 2.96Å; W602-C616 PolarHBondContact N-O 2.93Å; W602-H618 AromaticContact CD1-NE2 3.65Å; W602-H618 AromaticContact NE1-NE2 3.95Å; W602-L643 CarbonylContact C-O 3.56Å; W602-L643 HydrophobicContact CB-CD2 4.44Å; W602-L643 WeakPolarHBondContact CB-O 3.49Å; W602-N799 HydrophobicContact CZ3-CB 4.43Å; W602-T844 HydrophobicContact CD2-CG2 3.85Å; W602-T844 HydrophobicContact CE3-CG2 3.98Å; W602-T844 HydrophobicContact CH2-CG2 3.75Å; W602-T844 HydrophobicContact CZ2-CG2 3.61Å; W602-T844 HydrophobicContact CZ3-CG2 3.93Å
603	G	97.9	Very high	97.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125	-176.1	0	0	0	0	0	111.9	T615 C616 L643 L858	G603-T615 WeakPolarHBondContact O-CA 3.42Å; G603-C616 PolarHBondContact N-O 3.35Å; G603-C616 PolarHBondContact O-N 2.83Å; G603-L643 VanDerWaalsContact CA-O 3.23Å; G603-L643 WeakPolarHBondContact CA-O 3.16Å; G603-L643 PolarHBondContact N-O 2.83Å; G603-L643 VanDerWaalsContact N-O 3.1Å; G603-L858 WeakPolarHBondContact O-CD1 3.45Å
604	L	98.8	Very high	97.4	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	126	172.9	174.1	64.4	0	0	0	110.6	W602 F613 L614 T615 R847 V856 L858	W602-L604 PolarHBondContact O-N 2.96Å; L604-F613 HydrophobicContact CD1-CB 4.44Å; L604-F613 HydrophobicContact CD1-CD2 4.08Å; L604-L614 WeakPolarHBondContact CA-O 3.45Å; L604-T615 HydrophobicContact CD1-CG2 3.88Å; L604-R847 HydrophobicContact CB-CG 4.44Å; L604-R847 HydrophobicContact CD2-CB 3.93Å; L604-R847 HydrophobicContact CD2-CG 3.82Å; L604-R847 HydrophobicContact CG-CB 4.1Å; L604-R847 HydrophobicContact CG-CG 3.73Å; L604-V856 HydrophobicContact CD1-CB 4.26Å; L604-V856 HydrophobicContact CD1-CG1 3.75Å; L604-V856 HydrophobicContact CD2-CB 4.14Å; L604-V856 HydrophobicContact CD2-CG1 4.01Å; L604-V856 WeakPolarHBondContact CD2-O 3.31Å; L604-L858 HydrophobicContact CB-CD1 3.71Å; L604-L858 HydrophobicContact CB-CD2 4.43Å; L604-L858 HydrophobicContact CB-CG 4.04Å; L604-L858 HydrophobicContact CD2-CD2 4.5Å; L604-L858 HydrophobicContact CD2-CG 4.2Å
605	C	98.6	Very high	97.6	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.027	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.1	163.8	58.6	0	0	0	0	111.4	F613 L614 A645 F647	C605-F613 CarbonylContact O-C 3.55Å; C605-F613 WeakPolarHBondContact O-CA 3.48Å; C605-F613 WeakPolarHBondContact O-CB 3.3Å; C605-L614 PolarHBondContact N-O 2.97Å; C605-L614 VanDerWaalsContact N-O 3.1Å; C605-L614 PolarHBondContact O-N 3.16Å; C605-A645 WeakPolarHBondContact CB-O 3.45Å; C605-F647 HydrophobicContact CB-CD2 4.2Å; C605-F647 VanDerWaalsContact SG-CD2 3.57Å; C605-F647 VanDerWaalsContact SG-CE2 3.55Å
606	T	98.6	Very high	97.8	Very high	26 Å²	26	24.9 Å²	24.9	16%	0.16	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.4	177.4	39.1	0	0	0	0	109.6	F613 F647 R847 F848	T606-F613 HydrophobicContact CG2-CB 3.87Å; T606-F647 WeakPolarHBondContact O-CD2 3.26Å; T606-R847 HydrophobicContact CG2-CB 4.03Å; T606-F848 WeakPolarHBondContact CB-O 3.24Å; T606-F848 WeakPolarHBondContact CG2-O 3.42Å; T606-F848 PolarHBondContact OG1-O 2.82Å
607	H	98.6	Very high	97.9	Very high	7 Å²	7	24.2 Å²	24.2	3%	0.032	13%	0.127	C	C	.	.			trans	-69.7	136.2	-178.1	-175.5	-88.1	0	0	0	110.2	S609 Q610 R612 F647 G651 H850	H607-S609 PolarHBondContact CE1-OG 3.35Å; H607-S609 VanDerWaalsContact CE1-OG 3.28Å; H607-S609 PolarHBondContact ND1-N 2.98Å; H607-S609 PolarHBondContact O-N 2.87Å; H607-Q610 HydrophobicContact CB-CB 4.44Å; H607-Q610 VanDerWaalsContact ND1-CB 3.34Å; H607-Q610 WeakPolarHBondContact ND1-CB 3.22Å; H607-Q610 WeakPolarHBondContact ND1-CG 3.36Å; H607-Q610 PolarHBondContact ND1-N 2.77Å; H607-R612 HydrophobicContact CB-CB 4Å; H607-R612 WeakPolarHBondContact CB-O 3.29Å; H607-R612 PolarHBondContact N-O 2.83Å; H607-F647 HydrophobicContact CB-CD2 4.44Å; H607-F647 HydrophobicContact CB-CE2 4.2Å; H607-F647 HydrophobicContact CB-CZ 4.38Å; H607-F647 AromaticContact CD2-CD1 3.97Å; H607-F647 AromaticContact CD2-CE1 3.85Å; H607-G651 WeakPolarHBondContact NE2-CA 3.47Å; H607-H850 WeakPolarHBondContact O-CB 3.22Å
608	P	97.7	Very high	97.8	Very high	53 Å²	53	27.3 Å²	27.3	34%	0.344	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.7	-167.4	26.3	-36.5	0	0	0	115.5	F647 H850	P608-F647 HydrophobicContact CG-CB 4.46Å; P608-H850 WeakPolarHBondContact O-CB 3.31Å
609	S	97.1	Very high	97.8	Very high	71 Å²	71	27.2 Å²	27.2	50%	0.497	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-149.3	14.5	-173.4	60	0	0	0	0	114.9	H607	H607-S609 PolarHBondContact CE1-OG 3.35Å; H607-S609 VanDerWaalsContact CE1-OG 3.28Å; H607-S609 PolarHBondContact ND1-N 2.98Å; H607-S609 PolarHBondContact O-N 2.87Å
610	Q	96.9	Very high	97.8	Very high	72 Å²	72	30.6 Å²	30.6	34%	0.336	15%	0.148	S	C	.	.	S	Bend	trans	-147	157.2	-179.8	-60.2	174.7	13.7	0	0	109.6	H607 R612 H850	H607-Q610 HydrophobicContact CB-CB 4.44Å; H607-Q610 VanDerWaalsContact ND1-CB 3.34Å; H607-Q610 WeakPolarHBondContact ND1-CB 3.22Å; H607-Q610 WeakPolarHBondContact ND1-CG 3.36Å; H607-Q610 PolarHBondContact ND1-N 2.77Å; Q610-R612 HydrophobicContact CB-CG 4.43Å; Q610-R612 PolarHBondContact O-N 3.32Å; Q610-R612 VanDerWaalsContact OE1-CD 3.27Å; Q610-H850 PolarHBondContact O-ND1 3.29Å
611	N	95.4	Very high	97.8	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.144	15%	0.152	C	C	.	.	S	Bend	trans	-79.5	51.6	171.9	-70.1	-41.1	0	0	0	112.3	G627 E628 H850	N611-G627 WeakPolarHBondContact O-CA 3.39Å; N611-G627 PolarHBondContact O-N 2.59Å; N611-E628 HydrophobicContact CB-CG 3.83Å; N611-E628 WeakPolarHBondContact CB-OE1 3.18Å; N611-E628 PolarHBondContact ND2-OE1 3.33Å; N611-H850 PolarHBondContact OD1-CE1 2.52Å; N611-H850 PolarHBondContact OD1-ND1 2.95Å
612	R	97.7	Very high	97.8	Very high	54 Å²	54	31.3 Å²	31.3	20%	0.204	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	150.7	171.1	-67.3	-176.7	179.4	169.9	-5.7	110	H607 Q610 L624 W625 E669	H607-R612 HydrophobicContact CB-CB 4Å; H607-R612 WeakPolarHBondContact CB-O 3.29Å; H607-R612 PolarHBondContact N-O 2.83Å; Q610-R612 HydrophobicContact CB-CG 4.43Å; Q610-R612 PolarHBondContact O-N 3.32Å; Q610-R612 VanDerWaalsContact OE1-CD 3.27Å; R612-L624 HydrophobicContact CB-CD1 4.32Å; R612-W625 VanDerWaalsContact CA-O 3.22Å; R612-W625 WeakPolarHBondContact CA-O 3.44Å; R612-W625 WeakPolarHBondContact CB-O 3.39Å; R612-E669 IonicContact CZ-OE1 2.66Å; R612-E669 IonicContact NH1-OE1 3.91Å; R612-E669 PolarHBondContact NH1-OE1 2.74Å; R612-E669 IonicContact NH2-OE1 2.64Å
613	F	98.8	Very high	97.8	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	153.2	174.8	64.9	-93	0	0	0	110.4	Y255 L604 C605 T606 T615 W625 V856 I865	Y255-F613 HydrophobicContact CD2-CZ 4.35Å; Y255-F613 HydrophobicContact CE1-CZ 4.26Å; Y255-F613 HydrophobicContact CE2-CE1 4.22Å; Y255-F613 AromaticContact CE2-CZ 3.69Å; Y255-F613 HydrophobicContact CE2-CZ 3.69Å; Y255-F613 AromaticContact CZ-CE1 3.99Å; Y255-F613 AromaticContact CZ-CZ 3.62Å; Y255-F613 WeakPolarHBondContact OH-CE1 3.25Å; L604-F613 HydrophobicContact CD1-CB 4.44Å; L604-F613 HydrophobicContact CD1-CD2 4.08Å; C605-F613 CarbonylContact O-C 3.55Å; C605-F613 WeakPolarHBondContact O-CA 3.48Å; C605-F613 WeakPolarHBondContact O-CB 3.3Å; T606-F613 HydrophobicContact CG2-CB 3.87Å; F613-T615 HydrophobicContact CD2-CG2 4.08Å; F613-T615 HydrophobicContact CE2-CG2 4.2Å; F613-W625 HydrophobicContact CD1-CB 4.21Å; F613-W625 HydrophobicContact CD2-CB 4.02Å; F613-W625 AromaticContact CD2-CD1 3.66Å; F613-W625 HydrophobicContact CD2-CG 4.11Å; F613-W625 HydrophobicContact CE1-CB 3.81Å; F613-W625 HydrophobicContact CE2-CB 3.59Å; F613-W625 AromaticContact CE2-CD1 3.28Å; F613-W625 HydrophobicContact CE2-CD2 4.4Å; F613-W625 AromaticContact CE2-CG 3.48Å; F613-W625 HydrophobicContact CE2-CG 3.48Å; F613-W625 VanDerWaalsContact CE2-CG 3.48Å; F613-W625 HydrophobicContact CG-CB 4.31Å; F613-W625 HydrophobicContact CZ-CB 3.48Å; F613-W625 VanDerWaalsContact CZ-CB 3.48Å; F613-W625 AromaticContact CZ-CG 3.74Å; F613-W625 HydrophobicContact CZ-CG 3.74Å; F613-W625 PolarHBondContact N-O 3.4Å; F613-W625 PolarHBondContact O-N 3.38Å; F613-V856 HydrophobicContact CD1-CG2 3.89Å; F613-V856 HydrophobicContact CD2-CG1 4Å; F613-V856 HydrophobicContact CE1-CG2 4.17Å; F613-V856 HydrophobicContact CE2-CG1 4Å; F613-V856 HydrophobicContact CG-CG1 4.36Å; F613-V856 HydrophobicContact CG-CG2 4.08Å; F613-V856 HydrophobicContact CZ-CG1 4.33Å; F613-I865 HydrophobicContact CE2-CD1 4.34Å; F613-I865 HydrophobicContact CE2-CG2 3.89Å; F613-I865 HydrophobicContact CZ-CG2 4.22Å
614	L	98.8	Very high	97.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.2	-175.6	170.4	145.5	0	0	0	110.7	L604 C605 L622 C623 L624 W634 A645 F647 V654	L604-L614 WeakPolarHBondContact CA-O 3.45Å; C605-L614 PolarHBondContact N-O 2.97Å; C605-L614 VanDerWaalsContact N-O 3.1Å; C605-L614 PolarHBondContact O-N 3.16Å; L614-L622 HydrophobicContact CD1-CD1 3.91Å; L614-L622 HydrophobicContact CD1-CD2 4.46Å; L614-L622 HydrophobicContact CD1-CG 4.08Å; L614-L622 HydrophobicContact CD2-CD1 3.71Å; L614-L622 HydrophobicContact CG-CD1 3.96Å; L614-C623 CarbonylContact C-O 3.53Å; L614-C623 VanDerWaalsContact CA-O 3.24Å; L614-C623 WeakPolarHBondContact CA-O 3.42Å; L614-L624 HydrophobicContact CB-CD1 4.03Å; L614-W634 HydrophobicContact CD1-CH2 3.9Å; L614-A645 HydrophobicContact CD2-CB 3.42Å; L614-A645 VanDerWaalsContact CD2-CB 3.42Å; L614-F647 HydrophobicContact CB-CE2 3.99Å; L614-F647 HydrophobicContact CB-CZ 3.94Å; L614-V654 HydrophobicContact CD1-CG1 4.02Å; L614-V654 HydrophobicContact CD1-CG2 4.17Å; L614-V654 HydrophobicContact CD2-CG2 4.16Å
615	T	98.8	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.5	-179.5	60.2	0	0	0	0	113.2	H597 G603 L604 F613 C623 W625 L858 I865	H597-T615 PolarHBondContact NE2-OG1 2.64Å; G603-T615 WeakPolarHBondContact O-CA 3.42Å; L604-T615 HydrophobicContact CD1-CG2 3.88Å; F613-T615 HydrophobicContact CD2-CG2 4.08Å; F613-T615 HydrophobicContact CE2-CG2 4.2Å; T615-C623 PolarHBondContact N-O 3.22Å; T615-C623 PolarHBondContact O-N 3.28Å; T615-W625 PolarHBondContact OG1-NE1 2.62Å; T615-L858 HydrophobicContact CG2-CD2 3.76Å; T615-I865 HydrophobicContact CG2-CD1 3.85Å; T615-I865 HydrophobicContact CG2-CG1 4.43Å
616	C	98.3	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	158	168.8	61.5	0	0	0	0	112.9	W602 G603 Q621 L622 G642	W602-C616 PolarHBondContact N-O 2.93Å; G603-C616 PolarHBondContact N-O 3.35Å; G603-C616 PolarHBondContact O-N 2.83Å; C616-Q621 WeakPolarHBondContact CA-O 3.43Å; C616-Q621 WeakPolarHBondContact CB-O 3.46Å; C616-L622 HydrophobicContact CB-CD1 3.84Å; C616-G642 VanDerWaalsContact SG-C 3.59Å
617	G	96.8	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	-164.2	-176.5	0	0	0	0	0	114.8	E600 D619 R620 G642	E600-G617 CarbonylContact O-C 3.57Å; E600-G617 WeakPolarHBondContact O-CA 3.26Å; G617-D619 PolarHBondContact O-N 3.07Å; G617-R620 PolarHBondContact O-N 3.03Å; G617-G642 WeakPolarHBondContact CA-O 3.43Å; G617-G642 PolarHBondContact N-O 2.94Å
618	H	97.9	Very high	97.1	Very high	67 Å²	67	34.1 Å²	34.1	31%	0.31	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.1	-172	-69.1	-170.2	0	0	0	113.8	D599 E600 W602 R620 T641	D599-H618 HydrophobicContact CB-CB 4.11Å; E600-H618 HydrophobicContact CB-CB 4.3Å; E600-H618 WeakPolarHBondContact O-CB 3.38Å; E600-H618 PolarHBondContact O-CD2 3.24Å; E600-H618 PolarHBondContact O-N 2.84Å; E600-H618 IonicContact OE2-CE1 3.99Å; E600-H618 PolarHBondContact OE2-CE1 2.83Å; E600-H618 IonicContact OE2-ND1 2.95Å; W602-H618 AromaticContact CD1-NE2 3.65Å; W602-H618 AromaticContact NE1-NE2 3.95Å; H618-R620 PolarHBondContact O-N 3.45Å; H618-T641 VanDerWaalsContact CD2-CG2 3.44Å; H618-T641 WeakPolarHBondContact CD2-CG2 3.35Å
619	D	96.9	Very high	96.6	Very high	24 Å²	24	33.2 Å²	33.2	13%	0.128	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	0	170.8	67.6	-2.1	0	0	0	114.1	H597 T598 D599 G617 Q621	H597-D619 WeakPolarHBondContact CA-OD2 3.41Å; H597-D619 VanDerWaalsContact CB-OD2 3.3Å; H597-D619 WeakPolarHBondContact CB-OD2 3.24Å; H597-D619 IonicContact CE1-OD1 3.63Å; H597-D619 IonicContact CG-OD1 3.78Å; H597-D619 IonicContact CG-OD2 3.68Å; H597-D619 IonicContact ND1-OD1 3.66Å; H597-D619 PolarHBondContact ND1-OD1 3.35Å; H597-D619 IonicContact ND1-OD2 3.57Å; H597-D619 PolarHBondContact ND1-OD2 3.32Å; T598-D619 PolarHBondContact N-OD2 3.48Å; T598-D619 WeakPolarHBondContact OG1-CB 3.22Å; T598-D619 PolarHBondContact OG1-OD2 3.35Å; D599-D619 HydrophobicContact CB-CB 3.85Å; G617-D619 PolarHBondContact O-N 3.07Å; D619-Q621 PolarHBondContact O-N 3.26Å; D619-Q621 VanDerWaalsContact O-N 3.16Å; D619-Q621 PolarHBondContact OD1-N 3.25Å; D619-Q621 VanDerWaalsContact OD1-N 3.16Å
620	R	97.5	Very high	96.4	Very high	125 Å²	125	31.2 Å²	31.2	47%	0.472	15%	0.147	S	C	.	.			trans	62.4	12.4	179.3	-44.3	-175.8	-165.7	169.9	10.1	114.5	G617 H618 L638 K639	G617-R620 PolarHBondContact O-N 3.03Å; H618-R620 PolarHBondContact O-N 3.45Å; R620-L638 HydrophobicContact CB-CB 4.19Å; R620-L638 WeakPolarHBondContact CB-O 3.25Å; R620-L638 WeakPolarHBondContact CD-O 3.35Å; R620-L638 VanDerWaalsContact O-CB 3.26Å; R620-L638 WeakPolarHBondContact O-CB 3.41Å; R620-L638 WeakPolarHBondContact O-CG 3.26Å; R620-L638 PolarHBondContact O-N 2.75Å; R620-K639 PolarHBondContact NH1-O 2.89Å
621	Q	97.1	Very high	96.1	Very high	40 Å²	40	29.5 Å²	29.5	19%	0.187	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	133.4	168	-59.8	-57.7	-67.5	0	0	109.2	H597 C616 D619 D637	H597-Q621 PolarHBondContact CE1-O 3.04Å; C616-Q621 WeakPolarHBondContact CA-O 3.43Å; C616-Q621 WeakPolarHBondContact CB-O 3.46Å; D619-Q621 PolarHBondContact O-N 3.26Å; D619-Q621 VanDerWaalsContact O-N 3.16Å; D619-Q621 PolarHBondContact OD1-N 3.25Å; D619-Q621 VanDerWaalsContact OD1-N 3.16Å; Q621-D637 PolarHBondContact NE2-OD1 2.81Å
622	L	98.1	Very high	96.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	115.1	158.5	-176.1	68.7	0	0	0	107.1	L614 C616 W634 S635 I636 L638 V656 L666	L614-L622 HydrophobicContact CD1-CD1 3.91Å; L614-L622 HydrophobicContact CD1-CD2 4.46Å; L614-L622 HydrophobicContact CD1-CG 4.08Å; L614-L622 HydrophobicContact CD2-CD1 3.71Å; L614-L622 HydrophobicContact CG-CD1 3.96Å; C616-L622 HydrophobicContact CB-CD1 3.84Å; L622-W634 HydrophobicContact CD2-CH2 4.2Å; L622-W634 HydrophobicContact CD2-CZ3 4.11Å; L622-W634 HydrophobicContact CG-CH2 4.44Å; L622-W634 HydrophobicContact CG-CZ3 4.07Å; L622-S635 CarbonylContact O-C 3.57Å; L622-S635 WeakPolarHBondContact O-CA 3.31Å; L622-I636 HydrophobicContact CB-CB 4.4Å; L622-I636 HydrophobicContact CD2-CD1 4.36Å; L622-I636 PolarHBondContact N-O 3.08Å; L622-I636 PolarHBondContact O-N 2.9Å; L622-L638 HydrophobicContact CB-CD1 4.05Å; L622-L638 HydrophobicContact CB-CD2 4.07Å; L622-L638 HydrophobicContact CB-CG 3.95Å; L622-L638 HydrophobicContact CD2-CD2 4.3Å; L622-V656 HydrophobicContact CD1-CG1 4.12Å; L622-V656 HydrophobicContact CD1-CG2 3.82Å; L622-V656 HydrophobicContact CD2-CG2 4.02Å; L622-L666 HydrophobicContact CD2-CD1 4Å; L622-L666 HydrophobicContact CD2-CD2 3.83Å
623	C	98.4	Very high	96	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.041	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.7	-173	-67.6	0	0	0	0	110.5	H597 L614 T615 W625 L632	H597-C623 VanDerWaalsContact CE1-SG 3.6Å; H597-C623 PolarHBondContact NE2-SG 2.89Å; L614-C623 CarbonylContact C-O 3.53Å; L614-C623 VanDerWaalsContact CA-O 3.24Å; L614-C623 WeakPolarHBondContact CA-O 3.42Å; T615-C623 PolarHBondContact N-O 3.22Å; T615-C623 PolarHBondContact O-N 3.28Å; C623-W625 HydrophobicContact CB-CZ2 3.79Å; C623-L632 HydrophobicContact CB-CD1 3.59Å
624	L	98.6	Very high	95.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.2	164.7	-175.7	68.9	0	0	0	109	R612 L614 A633 W634 F647 T668	R612-L624 HydrophobicContact CB-CD1 4.32Å; L614-L624 HydrophobicContact CB-CD1 4.03Å; L624-A633 HydrophobicContact CD2-CB 4.36Å; L624-A633 HydrophobicContact CG-CB 4.35Å; L624-A633 WeakPolarHBondContact O-CB 3.48Å; L624-A633 PolarHBondContact O-N 3Å; L624-W634 HydrophobicContact CB-CD2 3.69Å; L624-W634 HydrophobicContact CB-CE3 4.07Å; L624-W634 HydrophobicContact CB-CG 4.18Å; L624-W634 HydrophobicContact CB-CH2 4.15Å; L624-W634 HydrophobicContact CB-CZ2 3.78Å; L624-W634 HydrophobicContact CB-CZ3 4.28Å; L624-W634 HydrophobicContact CD2-CZ2 4.01Å; L624-W634 VanDerWaalsContact CD2-NE1 3.29Å; L624-W634 HydrophobicContact CG-CZ2 4.44Å; L624-W634 PolarHBondContact N-O 2.92Å; L624-W634 PolarHBondContact O-N 2.81Å; L624-F647 HydrophobicContact CD1-CZ 3.92Å; L624-T668 HydrophobicContact CD2-CG2 4.09Å
625	W	98.4	Very high	95.7	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.011	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.3	179.4	-52.7	89.3	0	0	0	110.9	Y255 Q595 R612 F613 T615 C623 A631 L632 I865	Y255-W625 HydrophobicContact CD1-CD2 4.21Å; Y255-W625 AromaticContact CD1-CE3 3.51Å; Y255-W625 HydrophobicContact CD1-CE3 3.51Å; Y255-W625 HydrophobicContact CD1-CH2 4.5Å; Y255-W625 AromaticContact CD1-CZ3 3.68Å; Y255-W625 HydrophobicContact CD1-CZ3 3.68Å; Y255-W625 HydrophobicContact CE1-CD2 4.26Å; Y255-W625 AromaticContact CE1-CE3 3.65Å; Y255-W625 HydrophobicContact CE1-CE3 3.65Å; Y255-W625 HydrophobicContact CE1-CZ3 4.26Å; Q595-W625 HydrophobicContact CB-CH2 4.18Å; Q595-W625 HydrophobicContact CB-CZ3 4.22Å; R612-W625 VanDerWaalsContact CA-O 3.22Å; R612-W625 WeakPolarHBondContact CA-O 3.44Å; R612-W625 WeakPolarHBondContact CB-O 3.39Å; F613-W625 HydrophobicContact CD1-CB 4.21Å; F613-W625 HydrophobicContact CD2-CB 4.02Å; F613-W625 AromaticContact CD2-CD1 3.66Å; F613-W625 HydrophobicContact CD2-CG 4.11Å; F613-W625 HydrophobicContact CE1-CB 3.81Å; F613-W625 HydrophobicContact CE2-CB 3.59Å; F613-W625 AromaticContact CE2-CD1 3.28Å; F613-W625 HydrophobicContact CE2-CD2 4.4Å; F613-W625 AromaticContact CE2-CG 3.48Å; F613-W625 HydrophobicContact CE2-CG 3.48Å; F613-W625 VanDerWaalsContact CE2-CG 3.48Å; F613-W625 HydrophobicContact CG-CB 4.31Å; F613-W625 HydrophobicContact CZ-CB 3.48Å; F613-W625 VanDerWaalsContact CZ-CB 3.48Å; F613-W625 AromaticContact CZ-CG 3.74Å; F613-W625 HydrophobicContact CZ-CG 3.74Å; F613-W625 PolarHBondContact N-O 3.4Å; F613-W625 PolarHBondContact O-N 3.38Å; T615-W625 PolarHBondContact OG1-NE1 2.62Å; C623-W625 HydrophobicContact CB-CZ2 3.79Å; W625-A631 WeakPolarHBondContact CA-O 3.44Å; W625-L632 HydrophobicContact CD2-CD1 4.07Å; W625-L632 HydrophobicContact CE3-CB 4.04Å; W625-L632 HydrophobicContact CE3-CD1 4.03Å; W625-L632 HydrophobicContact CH2-CB 4.49Å; W625-L632 HydrophobicContact CH2-CD1 3.99Å; W625-L632 HydrophobicContact CZ2-CD1 4.03Å; W625-L632 HydrophobicContact CZ3-CB 3.85Å; W625-L632 HydrophobicContact CZ3-CD1 4Å; W625-I865 HydrophobicContact CD2-CD1 4.46Å; W625-I865 HydrophobicContact CZ2-CD1 3.77Å
626	D	95.6	Very high	95.6	Very high	42 Å²	42	34.1 Å²	34.1	23%	0.225	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.9	160.6	-174	-20.4	0	0	0	108.5	Y255 E628 S629 H630 A631	Y255-D626 PolarHBondContact OH-O 2.83Å; D626-E628 WeakPolarHBondContact OD1-CA 3.43Å; D626-E628 PolarHBondContact OD1-N 2.87Å; D626-S629 WeakPolarHBondContact CB-OG 3.33Å; D626-S629 PolarHBondContact OD1-N 2.81Å; D626-S629 WeakPolarHBondContact OD2-CB 3.07Å; D626-S629 PolarHBondContact OD2-OG 3.5Å; D626-H630 CarbonylContact O-C 3.58Å; D626-H630 WeakPolarHBondContact O-CA 3.49Å; D626-H630 PolarHBondContact O-N 3.49Å; D626-H630 VanDerWaalsContact O-N 3.08Å; D626-A631 PolarHBondContact N-O 2.83Å; D626-A631 PolarHBondContact O-N 2.96Å; D626-A631 VanDerWaalsContact O-N 3.09Å
627	G	93.3	Very high	95.5	Very high	7 Å²	7	40 Å²	40	7%	0.072	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-9.5	178.8	0	0	0	0	0	114.3	N611 H630 Q867	N611-G627 WeakPolarHBondContact O-CA 3.39Å; N611-G627 PolarHBondContact O-N 2.59Å; G627-H630 PolarHBondContact O-CE1 2.83Å; G627-H630 PolarHBondContact O-ND1 2.8Å; G627-Q867 PolarHBondContact O-NE2 3.06Å; G627-Q867 PolarHBondContact O-OE1 2.88Å
628	E	90.6	Very high	95.5	Very high	123 Å²	123	40.6 Å²	40.6	58%	0.575	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-43.9	169	-76.6	173.7	-149	0	0	110.6	N611 D626 H630	N611-E628 HydrophobicContact CB-CG 3.83Å; N611-E628 WeakPolarHBondContact CB-OE1 3.18Å; N611-E628 PolarHBondContact ND2-OE1 3.33Å; D626-E628 WeakPolarHBondContact OD1-CA 3.43Å; D626-E628 PolarHBondContact OD1-N 2.87Å; E628-H630 VanDerWaalsContact C-N 3.35Å
629	S	88.7	Confident	95.4	Very high	34 Å²	34	44.2 Å²	44.2	24%	0.238	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	15.1	172	77.4	0	0	0	0	113.6	P291 D626 A631	P291-S629 WeakPolarHBondContact CB-O 3.48Å; P291-S629 WeakPolarHBondContact CG-O 3.4Å; P291-S629 WeakPolarHBondContact O-CB 3.49Å; D626-S629 WeakPolarHBondContact CB-OG 3.33Å; D626-S629 PolarHBondContact OD1-N 2.81Å; D626-S629 WeakPolarHBondContact OD2-CB 3.07Å; D626-S629 PolarHBondContact OD2-OG 3.5Å; S629-A631 WeakPolarHBondContact O-CB 3.28Å; S629-A631 PolarHBondContact O-N 3.31Å
630	H	92.6	Very high	95.3	Very high	30 Å²	30	45.3 Å²	45.3	14%	0.139	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	37.2	37.4	174.3	-54.1	-63	0	0	0	116.4	D252 W253 Y255 P291 D626 G627 E628 Q867	D252-H630 IonicContact OD2-CE1 3.44Å; W253-H630 HydrophobicContact CD2-CB 3.62Å; W253-H630 AromaticContact CD2-CD2 3.73Å; W253-H630 AromaticContact CD2-CG 3.55Å; W253-H630 AromaticContact CD2-ND1 3.99Å; W253-H630 VanDerWaalsContact CE2-CB 3.49Å; W253-H630 AromaticContact CE2-CG 3.98Å; W253-H630 HydrophobicContact CE3-CB 4.09Å; W253-H630 AromaticContact CE3-CD2 3.31Å; W253-H630 AromaticContact CE3-CG 3.67Å; W253-H630 AromaticContact CE3-NE2 3.7Å; W253-H630 HydrophobicContact CG-CB 3.92Å; W253-H630 AromaticContact CG-CG 3.8Å; W253-H630 AromaticContact CG-ND1 3.79Å; W253-H630 HydrophobicContact CH2-CB 4.3Å; W253-H630 HydrophobicContact CZ2-CB 3.88Å; W253-H630 HydrophobicContact CZ3-CB 4.39Å; W253-H630 AromaticContact CZ3-CD2 3.57Å; Y255-H630 HydrophobicContact CE1-CB 4.44Å; Y255-H630 WeakPolarHBondContact CE1-O 3.3Å; Y255-H630 WeakPolarHBondContact OH-CA 3.38Å; P291-H630 HydrophobicContact CB-CB 4.13Å; D626-H630 CarbonylContact O-C 3.58Å; D626-H630 WeakPolarHBondContact O-CA 3.49Å; D626-H630 PolarHBondContact O-N 3.49Å; D626-H630 VanDerWaalsContact O-N 3.08Å; G627-H630 PolarHBondContact O-CE1 2.83Å; G627-H630 PolarHBondContact O-ND1 2.8Å; E628-H630 VanDerWaalsContact C-N 3.35Å; H630-Q867 PolarHBondContact ND1-OE1 2.88Å
631	A	90.9	Very high	95.3	Very high	36 Å²	36	40.2 Å²	40.2	30%	0.298	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	161.8	-166	0	0	0	0	0	112	W625 D626 S629 A633	W625-A631 WeakPolarHBondContact CA-O 3.44Å; D626-A631 PolarHBondContact N-O 2.83Å; D626-A631 PolarHBondContact O-N 2.96Å; D626-A631 VanDerWaalsContact O-N 3.09Å; S629-A631 WeakPolarHBondContact O-CB 3.28Å; S629-A631 PolarHBondContact O-N 3.31Å; A631-A633 PolarHBondContact O-N 2.66Å
632	L	94.5	Very high	95.3	Very high	36 Å²	36	38.3 Å²	38.3	19%	0.188	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	112.1	172.5	-174.1	72.6	0	0	0	109.1	Q595 C623 W625 W634	Q595-L632 VanDerWaalsContact NE2-CD2 3.31Å; C623-L632 HydrophobicContact CB-CD1 3.59Å; W625-L632 HydrophobicContact CD2-CD1 4.07Å; W625-L632 HydrophobicContact CE3-CB 4.04Å; W625-L632 HydrophobicContact CE3-CD1 4.03Å; W625-L632 HydrophobicContact CH2-CB 4.49Å; W625-L632 HydrophobicContact CH2-CD1 3.99Å; W625-L632 HydrophobicContact CZ2-CD1 4.03Å; W625-L632 HydrophobicContact CZ3-CB 3.85Å; W625-L632 HydrophobicContact CZ3-CD1 4Å; L632-W634 VanDerWaalsContact CD1-O 3.29Å; L632-W634 WeakPolarHBondContact CD1-O 3.34Å
633	A	95.1	Very high	95.3	Very high	43 Å²	43	39.2 Å²	39.2	36%	0.355	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-40.6	174.1	0	0	0	0	0	111	L624 A631	L624-A633 HydrophobicContact CD2-CB 4.36Å; L624-A633 HydrophobicContact CG-CB 4.35Å; L624-A633 WeakPolarHBondContact O-CB 3.48Å; L624-A633 PolarHBondContact O-N 3Å; A631-A633 PolarHBondContact O-N 2.66Å
634	W	96.4	Very high	95.3	Very high	12 Å²	12	39.4 Å²	39.4	5%	0.045	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	159.6	166.4	52.9	-107.7	0	0	0	112.4	L614 L622 L624 L632 I636 T668 R671	L614-W634 HydrophobicContact CD1-CH2 3.9Å; L622-W634 HydrophobicContact CD2-CH2 4.2Å; L622-W634 HydrophobicContact CD2-CZ3 4.11Å; L622-W634 HydrophobicContact CG-CH2 4.44Å; L622-W634 HydrophobicContact CG-CZ3 4.07Å; L624-W634 HydrophobicContact CB-CD2 3.69Å; L624-W634 HydrophobicContact CB-CE3 4.07Å; L624-W634 HydrophobicContact CB-CG 4.18Å; L624-W634 HydrophobicContact CB-CH2 4.15Å; L624-W634 HydrophobicContact CB-CZ2 3.78Å; L624-W634 HydrophobicContact CB-CZ3 4.28Å; L624-W634 HydrophobicContact CD2-CZ2 4.01Å; L624-W634 VanDerWaalsContact CD2-NE1 3.29Å; L624-W634 HydrophobicContact CG-CZ2 4.44Å; L624-W634 PolarHBondContact N-O 2.92Å; L624-W634 PolarHBondContact O-N 2.81Å; L632-W634 VanDerWaalsContact CD1-O 3.29Å; L632-W634 WeakPolarHBondContact CD1-O 3.34Å; W634-I636 HydrophobicContact CE3-CD1 4.06Å; W634-I636 HydrophobicContact CE3-CG1 3.81Å; W634-I636 HydrophobicContact CH2-CD1 4.13Å; W634-I636 HydrophobicContact CZ3-CD1 3.61Å; W634-I636 HydrophobicContact CZ3-CG1 3.76Å; W634-T668 PolarHBondContact NE1-O 3.48Å; W634-R671 HydrophobicContact CD2-CG 3.89Å; W634-R671 HydrophobicContact CE3-CG 4.49Å; W634-R671 HydrophobicContact CG-CG 3.99Å; W634-R671 HydrophobicContact CZ2-CG 4.37Å
635	S	96.2	Very high	95.3	Very high	49 Å²	49	39.8 Å²	39.8	34%	0.343	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	161.5	161.2	68	0	0	0	0	112.5	L622	L622-S635 CarbonylContact O-C 3.57Å; L622-S635 WeakPolarHBondContact O-CA 3.31Å
636	I	96.4	Very high	95.3	Very high	38 Å²	38	40.7 Å²	40.7	20%	0.195	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.3	175.5	-52.4	172.9	0	0	0	108.8	L622 W634 L638 L666 R671	L622-I636 HydrophobicContact CB-CB 4.4Å; L622-I636 HydrophobicContact CD2-CD1 4.36Å; L622-I636 PolarHBondContact N-O 3.08Å; L622-I636 PolarHBondContact O-N 2.9Å; W634-I636 HydrophobicContact CE3-CD1 4.06Å; W634-I636 HydrophobicContact CE3-CG1 3.81Å; W634-I636 HydrophobicContact CH2-CD1 4.13Å; W634-I636 HydrophobicContact CZ3-CD1 3.61Å; W634-I636 HydrophobicContact CZ3-CG1 3.76Å; I636-L638 PolarHBondContact O-N 2.77Å; I636-L666 HydrophobicContact CD1-CD2 3.56Å; I636-R671 HydrophobicContact CD1-CB 3.85Å; I636-R671 HydrophobicContact CG1-CB 4.49Å
637	D	95.9	Very high	95.5	Very high	125 Å²	125	39.2 Å²	39.2	67%	0.668	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	106	167.5	-71.9	-73	0	0	0	110.7	Q621	Q621-D637 PolarHBondContact NE2-OD1 2.81Å
638	L	96	Very high	95.7	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.063	21%	0.214	C	C	.	.			trans	-72.7	146.7	171.9	-60	177	0	0	0	110.9	R620 L622 I636 E640 L658 L664	R620-L638 HydrophobicContact CB-CB 4.19Å; R620-L638 WeakPolarHBondContact CB-O 3.25Å; R620-L638 WeakPolarHBondContact CD-O 3.35Å; R620-L638 VanDerWaalsContact O-CB 3.26Å; R620-L638 WeakPolarHBondContact O-CB 3.41Å; R620-L638 WeakPolarHBondContact O-CG 3.26Å; R620-L638 PolarHBondContact O-N 2.75Å; L622-L638 HydrophobicContact CB-CD1 4.05Å; L622-L638 HydrophobicContact CB-CD2 4.07Å; L622-L638 HydrophobicContact CB-CG 3.95Å; L622-L638 HydrophobicContact CD2-CD2 4.3Å; I636-L638 PolarHBondContact O-N 2.77Å; L638-E640 VanDerWaalsContact CB-O 3.24Å; L638-E640 WeakPolarHBondContact CB-O 3.03Å; L638-E640 PolarHBondContact O-N 3.5Å; L638-L658 HydrophobicContact CD1-CD2 4.07Å; L638-L664 HydrophobicContact CD2-CD1 3.97Å
639	K	95.4	Very high	96	Very high	142 Å²	142	36 Å²	36	62%	0.617	20%	0.203	S	C	*	.	S	Bend	trans	-62.9	-32.5	174	-64.4	171.5	-174.4	166.7	0	111.9	R620	R620-K639 PolarHBondContact NH1-O 2.89Å
640	E	95.9	Very high	96.4	Very high	47 Å²	47	37.3 Å²	37.3	22%	0.22	21%	0.213	C	C	.	.	S	Bend	trans	-135.2	173.7	-170.4	-70.7	162	-111.3	0	0	110.1	L638 L658 T660 R662	L638-E640 VanDerWaalsContact CB-O 3.24Å; L638-E640 WeakPolarHBondContact CB-O 3.03Å; L638-E640 PolarHBondContact O-N 3.5Å; E640-L658 HydrophobicContact CB-CD1 4.2Å; E640-T660 WeakPolarHBondContact OE2-CB 3.28Å; E640-T660 WeakPolarHBondContact OE2-CG2 3.37Å; E640-T660 PolarHBondContact OE2-OG1 2.83Å; E640-R662 VanDerWaalsContact OE1-CD 3.3Å; E640-R662 WeakPolarHBondContact OE1-CD 3.22Å; E640-R662 IonicContact OE1-CZ 3.98Å; E640-R662 IonicContact OE1-NE 3.89Å; E640-R662 IonicContact OE1-NH1 3.56Å; E640-R662 PolarHBondContact OE1-NH1 3.22Å
641	T	97.5	Very high	96.6	Very high	19 Å²	19	36 Å²	36	12%	0.117	21%	0.208	C	C	.	.			trans	-78.6	123.9	-177	-68.3	0	0	0	0	110.8	H618 L643 L658 N659	H618-T641 VanDerWaalsContact CD2-CG2 3.44Å; H618-T641 WeakPolarHBondContact CD2-CG2 3.35Å; T641-L643 HydrophobicContact CG2-CD2 3.82Å; T641-L643 HydrophobicContact CG2-CG 4.27Å; T641-L658 CarbonylContact O-C 3.55Å; T641-L658 VanDerWaalsContact O-CA 3.24Å; T641-L658 WeakPolarHBondContact O-CA 3.35Å; T641-L658 WeakPolarHBondContact O-CB 3.28Å; T641-N659 HydrophobicContact CG2-CB 4.43Å; T641-N659 PolarHBondContact N-OD1 2.73Å; T641-N659 PolarHBondContact O-N 2.74Å; T641-N659 PolarHBondContact O-OD1 2.86Å
642	G	97.7	Very high	96.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	139.2	168.5	0	0	0	0	0	111.5	C616 G617	C616-G642 VanDerWaalsContact SG-C 3.59Å; G617-G642 WeakPolarHBondContact CA-O 3.43Å; G617-G642 PolarHBondContact N-O 2.94Å
643	L	98.1	Very high	97	Very high	19 Å²	19	35.1 Å²	35.1	10%	0.099	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	-29.8	-176.2	-65.9	178	0	0	0	113.5	W602 G603 T641 G657 N659 Q683	W602-L643 CarbonylContact C-O 3.56Å; W602-L643 HydrophobicContact CB-CD2 4.44Å; W602-L643 WeakPolarHBondContact CB-O 3.49Å; G603-L643 VanDerWaalsContact CA-O 3.23Å; G603-L643 WeakPolarHBondContact CA-O 3.16Å; G603-L643 PolarHBondContact N-O 2.83Å; G603-L643 VanDerWaalsContact N-O 3.1Å; T641-L643 HydrophobicContact CG2-CD2 3.82Å; T641-L643 HydrophobicContact CG2-CG 4.27Å; L643-G657 PolarHBondContact N-O 2.76Å; L643-N659 HydrophobicContact CD1-CB 3.72Å; L643-N659 HydrophobicContact CG-CB 4.23Å; L643-Q683 HydrophobicContact CD1-CB 3.71Å; L643-Q683 HydrophobicContact CD1-CG 4.34Å
644	C	98.4	Very high	97.2	Very high	10 Å²	10	33 Å²	33	7%	0.068	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	154.7	178.7	56.2	0	0	0	0	110.9	V656 G657 L684 S685 V686	C644-V656 CarbonylContact O-C 3.59Å; C644-V656 WeakPolarHBondContact O-CA 3.47Å; C644-G657 PolarHBondContact N-O 3.02Å; C644-G657 PolarHBondContact O-N 3.21Å; C644-L684 PolarHBondContact SG-O 3.04Å; C644-L684 VanDerWaalsContact SG-O 3.32Å; C644-S685 WeakPolarHBondContact CB-O 3.19Å; C644-V686 VanDerWaalsContact SG-CA 3.56Å; C644-V686 PolarHBondContact SG-N 3.28Å
645	A	98.5	Very high	97.3	Very high	8 Å²	8	32.5 Å²	32.5	7%	0.066	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.8	174.5	0	0	0	0	0	110.4	C605 L614 V654 A655 V656	C605-A645 WeakPolarHBondContact CB-O 3.45Å; L614-A645 HydrophobicContact CD2-CB 3.42Å; L614-A645 VanDerWaalsContact CD2-CB 3.42Å; A645-V654 HydrophobicContact CB-CG2 4.38Å; A645-A655 CarbonylContact C-O 3.57Å; A645-A655 WeakPolarHBondContact CA-O 3.38Å; A645-A655 WeakPolarHBondContact CB-O 3.34Å; A645-V656 HydrophobicContact CB-CG2 4.23Å
646	D	98.6	Very high	97.4	Very high	22 Å²	22	30.1 Å²	30.1	12%	0.118	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	137.7	176.3	-157.6	63.4	0	0	0	108.6	A655 V687 R688 Y689	D646-A655 PolarHBondContact N-O 3.23Å; D646-A655 PolarHBondContact O-N 2.97Å; D646-V687 HydrophobicContact CB-CG2 4.08Å; D646-V687 WeakPolarHBondContact CB-O 3.34Å; D646-R688 IonicContact OD1-NH1 2.61Å; D646-R688 PolarHBondContact OD1-NH1 2.84Å; D646-R688 VanDerWaalsContact OD1-NH1 3.08Å; D646-R688 VanDerWaalsContact OD2-CA 3.31Å; D646-R688 WeakPolarHBondContact OD2-CA 3.44Å; D646-Y689 PolarHBondContact OD2-N 2.77Å
647	F	98.6	Very high	97.5	Very high	12 Å²	12	28.3 Å²	28.3	5%	0.053	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	142.7	177.1	-78.4	-83.5	0	0	0	110.5	C605 T606 H607 P608 L614 L624 V654 T668 Y689	C605-F647 HydrophobicContact CB-CD2 4.2Å; C605-F647 VanDerWaalsContact SG-CD2 3.57Å; C605-F647 VanDerWaalsContact SG-CE2 3.55Å; T606-F647 WeakPolarHBondContact O-CD2 3.26Å; H607-F647 HydrophobicContact CB-CD2 4.44Å; H607-F647 HydrophobicContact CB-CE2 4.2Å; H607-F647 HydrophobicContact CB-CZ 4.38Å; H607-F647 AromaticContact CD2-CD1 3.97Å; H607-F647 AromaticContact CD2-CE1 3.85Å; P608-F647 HydrophobicContact CG-CB 4.46Å; L614-F647 HydrophobicContact CB-CE2 3.99Å; L614-F647 HydrophobicContact CB-CZ 3.94Å; L624-F647 HydrophobicContact CD1-CZ 3.92Å; F647-V654 HydrophobicContact CD1-CB 3.83Å; F647-V654 HydrophobicContact CD1-CG2 4.12Å; F647-V654 HydrophobicContact CD2-CG2 4.49Å; F647-V654 HydrophobicContact CE1-CB 3.85Å; F647-V654 HydrophobicContact CE1-CG2 4.15Å; F647-V654 HydrophobicContact CG-CB 4.45Å; F647-V654 HydrophobicContact CG-CG2 4.29Å; F647-V654 HydrophobicContact CZ-CB 4.5Å; F647-V654 HydrophobicContact CZ-CG2 4.36Å; F647-T668 HydrophobicContact CE1-CG2 3.95Å; F647-Y689 VanDerWaalsContact C-CD2 3.46Å; F647-Y689 WeakPolarHBondContact O-CD2 3.24Å
648	H	98.3	Very high	97.6	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.037	13%	0.129	C	C	.	.			trans	-63.1	144.8	163.1	178.7	-104.4	0	0	0	109	S650 G651 V653 Y689 G693	H648-S650 PolarHBondContact ND1-N 3.36Å; H648-S650 PolarHBondContact ND1-OG 3.24Å; H648-S650 PolarHBondContact O-N 3.02Å; H648-G651 PolarHBondContact O-N 3.04Å; H648-V653 HydrophobicContact CB-CG2 3.54Å; H648-V653 PolarHBondContact N-O 3.15Å; H648-Y689 HydrophobicContact CB-CD1 4.27Å; H648-Y689 HydrophobicContact CB-CD2 4.15Å; H648-Y689 HydrophobicContact CB-CE1 4.09Å; H648-Y689 HydrophobicContact CB-CE2 3.96Å; H648-Y689 HydrophobicContact CB-CG 4.28Å; H648-Y689 AromaticContact CD2-CD1 3.71Å; H648-Y689 AromaticContact CD2-CE1 3.84Å; H648-G693 WeakPolarHBondContact NE2-CA 3.23Å; H648-G693 PolarHBondContact NE2-O 3.01Å
649	P	97.2	Very high	97.7	Very high	53 Å²	53	25 Å²	25	34%	0.344	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-18	-174.9	-30	37.6	0	0	0	116.2	G651 S690	P649-G651 VanDerWaalsContact C-N 3.32Å; P649-S690 WeakPolarHBondContact CG-O 3.2Å
650	S	96.4	Very high	97.7	Very high	63 Å²	63	20.7 Å²	20.7	44%	0.441	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-13	171.8	69.2	0	0	0	0	114.7	H648 A652	H648-S650 PolarHBondContact ND1-N 3.36Å; H648-S650 PolarHBondContact ND1-OG 3.24Å; H648-S650 PolarHBondContact O-N 3.02Å; S650-A652 PolarHBondContact O-N 2.91Å; S650-A652 VanDerWaalsContact O-N 3.12Å; S650-A652 PolarHBondContact OG-N 3.09Å
651	G	96.9	Very high	97.7	Very high	3 Å²	3	18.4 Å²	18.4	3%	0.031	12%	0.117	C	C	.	.	S	Bend	trans	75.6	-19.9	-173	0	0	0	0	0	115.2	H607 H648 P649 V653 T668	H607-G651 WeakPolarHBondContact NE2-CA 3.47Å; H648-G651 PolarHBondContact O-N 3.04Å; P649-G651 VanDerWaalsContact C-N 3.32Å; G651-V653 VanDerWaalsContact C-N 3.29Å; G651-V653 PolarHBondContact O-N 3.45Å; G651-T668 WeakPolarHBondContact O-CB 3.43Å; G651-T668 PolarHBondContact O-OG1 3.41Å
652	A	96.3	Very high	97.8	Very high	48 Å²	48	18.9 Å²	18.9	40%	0.397	12%	0.117	S	C	.	.	S	Bend	trans	-64.3	-26.5	-173.1	0	0	0	0	0	114.7	S650 T668	S650-A652 PolarHBondContact O-N 2.91Å; S650-A652 VanDerWaalsContact O-N 3.12Å; S650-A652 PolarHBondContact OG-N 3.09Å; A652-T668 PolarHBondContact O-N 3.5Å; A652-T668 PolarHBondContact O-OG1 3.18Å
653	V	97.9	Very high	97.8	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.024	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	156.2	176.5	-55	0	0	0	0	112	H648 G651 V665 L666	H648-V653 HydrophobicContact CB-CG2 3.54Å; H648-V653 PolarHBondContact N-O 3.15Å; G651-V653 VanDerWaalsContact C-N 3.29Å; G651-V653 PolarHBondContact O-N 3.45Å; V653-V665 HydrophobicContact CB-CG1 3.82Å; V653-V665 HydrophobicContact CG1-CG1 4.38Å; V653-V665 HydrophobicContact CG2-CG1 3.92Å; V653-L666 CarbonylContact C-O 3.57Å; V653-L666 WeakPolarHBondContact CA-O 3.37Å; V653-L666 VanDerWaalsContact CB-O 3.31Å; V653-L666 WeakPolarHBondContact CB-O 3.39Å
654	V	98.4	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.5	176.4	64.7	0	0	0	0	110.7	L614 A645 F647 V656 V665 L666	L614-V654 HydrophobicContact CD1-CG1 4.02Å; L614-V654 HydrophobicContact CD1-CG2 4.17Å; L614-V654 HydrophobicContact CD2-CG2 4.16Å; A645-V654 HydrophobicContact CB-CG2 4.38Å; F647-V654 HydrophobicContact CD1-CB 3.83Å; F647-V654 HydrophobicContact CD1-CG2 4.12Å; F647-V654 HydrophobicContact CD2-CG2 4.49Å; F647-V654 HydrophobicContact CE1-CB 3.85Å; F647-V654 HydrophobicContact CE1-CG2 4.15Å; F647-V654 HydrophobicContact CG-CB 4.45Å; F647-V654 HydrophobicContact CG-CG2 4.29Å; F647-V654 HydrophobicContact CZ-CB 4.5Å; F647-V654 HydrophobicContact CZ-CG2 4.36Å; V654-V656 HydrophobicContact CG2-CG2 4.5Å; V654-V665 WeakPolarHBondContact O-CA 3.49Å; V654-L666 HydrophobicContact CG1-CB 4.16Å; V654-L666 PolarHBondContact N-O 3.11Å; V654-L666 PolarHBondContact O-N 3.49Å
655	A	98.4	Very high	97.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	140.9	169.9	0	0	0	0	0	109.8	A645 D646 L664 V687 Y689 L696	A645-A655 CarbonylContact C-O 3.57Å; A645-A655 WeakPolarHBondContact CA-O 3.38Å; A645-A655 WeakPolarHBondContact CB-O 3.34Å; D646-A655 PolarHBondContact N-O 3.23Å; D646-A655 PolarHBondContact O-N 2.97Å; A655-L664 CarbonylContact C-O 3.57Å; A655-L664 WeakPolarHBondContact CA-O 3.4Å; A655-V687 HydrophobicContact CB-CG2 4.26Å; A655-Y689 HydrophobicContact CB-CD2 4.49Å; A655-Y689 HydrophobicContact CB-CE2 3.54Å; A655-L696 HydrophobicContact CB-CD1 4.16Å; A655-L696 HydrophobicContact CB-CD2 4.12Å
656	V	98.6	Very high	97.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	118.9	179.3	-172.5	0	0	0	0	109.9	L622 C644 A645 V654 L658 W663 L664 L666	L622-V656 HydrophobicContact CD1-CG1 4.12Å; L622-V656 HydrophobicContact CD1-CG2 3.82Å; L622-V656 HydrophobicContact CD2-CG2 4.02Å; C644-V656 CarbonylContact O-C 3.59Å; C644-V656 WeakPolarHBondContact O-CA 3.47Å; A645-V656 HydrophobicContact CB-CG2 4.23Å; V654-V656 HydrophobicContact CG2-CG2 4.5Å; V656-L658 HydrophobicContact CG1-CD2 4Å; V656-W663 CarbonylContact O-C 3.54Å; V656-W663 VanDerWaalsContact O-CA 3.23Å; V656-W663 WeakPolarHBondContact O-CA 3.35Å; V656-W663 WeakPolarHBondContact O-CB 3.29Å; V656-L664 PolarHBondContact N-O 2.65Å; V656-L664 PolarHBondContact O-N 3.43Å; V656-L666 HydrophobicContact CB-CD1 4.45Å; V656-L666 HydrophobicContact CG2-CD1 3.82Å
657	G	98.4	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136	175.9	0	0	0	0	0	112.4	L643 C644	L643-G657 PolarHBondContact N-O 2.76Å; C644-G657 PolarHBondContact N-O 3.02Å; C644-G657 PolarHBondContact O-N 3.21Å
658	L	98.4	Very high	97.5	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	171.4	-174.1	-45	-179.7	0	0	0	112.2	L638 E640 T641 V656 T660 R662 L664 L684	L638-L658 HydrophobicContact CD1-CD2 4.07Å; E640-L658 HydrophobicContact CB-CD1 4.2Å; T641-L658 CarbonylContact O-C 3.55Å; T641-L658 VanDerWaalsContact O-CA 3.24Å; T641-L658 WeakPolarHBondContact O-CA 3.35Å; T641-L658 WeakPolarHBondContact O-CB 3.28Å; V656-L658 HydrophobicContact CG1-CD2 4Å; L658-T660 PolarHBondContact O-N 3.06Å; L658-T660 VanDerWaalsContact O-N 3.13Å; L658-R662 WeakPolarHBondContact CA-O 3.5Å; L658-R662 HydrophobicContact CB-CB 4.44Å; L658-R662 WeakPolarHBondContact CB-O 3.35Å; L658-R662 HydrophobicContact CD1-CB 4.16Å; L658-R662 HydrophobicContact CD1-CG 3.98Å; L658-R662 WeakPolarHBondContact CG-O 3.32Å; L658-R662 PolarHBondContact N-O 3.4Å; L658-L664 HydrophobicContact CD1-CD1 4.34Å; L658-L664 HydrophobicContact CD1-CG 4.23Å; L658-L684 PolarHBondContact O-N 3.13Å; L658-L684 VanDerWaalsContact O-N 3.08Å
659	N	97.1	Very high	97.3	Very high	65 Å²	65	23 Å²	23	35%	0.348	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	10.5	-173.1	73.1	-42.2	0	0	0	116.6	T641 L643 Q683	T641-N659 HydrophobicContact CG2-CB 4.43Å; T641-N659 PolarHBondContact N-OD1 2.73Å; T641-N659 PolarHBondContact O-N 2.74Å; T641-N659 PolarHBondContact O-OD1 2.86Å; L643-N659 HydrophobicContact CD1-CB 3.72Å; L643-N659 HydrophobicContact CG-CB 4.23Å; N659-Q683 HydrophobicContact CB-CB 4.44Å
660	T	96.3	Very high	97.2	Very high	50 Å²	50	24.2 Å²	24.2	31%	0.307	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	5.4	-171.6	55.7	0	0	0	0	114.7	E640 L658 R662 N681 E682	E640-T660 WeakPolarHBondContact OE2-CB 3.28Å; E640-T660 WeakPolarHBondContact OE2-CG2 3.37Å; E640-T660 PolarHBondContact OE2-OG1 2.83Å; L658-T660 PolarHBondContact O-N 3.06Å; L658-T660 VanDerWaalsContact O-N 3.13Å; T660-R662 VanDerWaalsContact OG1-CB 3.31Å; T660-R662 WeakPolarHBondContact OG1-CB 3.32Å; T660-R662 PolarHBondContact OG1-N 3.24Å; T660-N681 CarbonylContact O-C 3.37Å; T660-N681 WeakPolarHBondContact O-CA 3.31Å; T660-E682 CarbonylContact C-O 3.57Å
661	G	96.6	Very high	97.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	86	-7.5	-168	0	0	0	0	0	112.9	D679 E682	G661-D679 VanDerWaalsContact CA-O 3.25Å; G661-D679 WeakPolarHBondContact CA-O 3.33Å; G661-D679 PolarHBondContact O-N 2.83Å; G661-E682 WeakPolarHBondContact CA-O 3.49Å; G661-E682 PolarHBondContact N-O 2.89Å
662	R	97.9	Very high	97.1	Very high	28 Å²	28	33.4 Å²	33.4	11%	0.106	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.5	172	-170.2	175	179.8	-169.8	-2.6	111.3	E640 L658 T660 D676 V677 I678 L684	E640-R662 VanDerWaalsContact OE1-CD 3.3Å; E640-R662 WeakPolarHBondContact OE1-CD 3.22Å; E640-R662 IonicContact OE1-CZ 3.98Å; E640-R662 IonicContact OE1-NE 3.89Å; E640-R662 IonicContact OE1-NH1 3.56Å; E640-R662 PolarHBondContact OE1-NH1 3.22Å; L658-R662 WeakPolarHBondContact CA-O 3.5Å; L658-R662 HydrophobicContact CB-CB 4.44Å; L658-R662 WeakPolarHBondContact CB-O 3.35Å; L658-R662 HydrophobicContact CD1-CB 4.16Å; L658-R662 HydrophobicContact CD1-CG 3.98Å; L658-R662 WeakPolarHBondContact CG-O 3.32Å; L658-R662 PolarHBondContact N-O 3.4Å; T660-R662 VanDerWaalsContact OG1-CB 3.31Å; T660-R662 WeakPolarHBondContact OG1-CB 3.32Å; T660-R662 PolarHBondContact OG1-N 3.24Å; R662-D676 IonicContact CZ-OD1 3.7Å; R662-D676 VanDerWaalsContact CZ-OD1 3.23Å; R662-D676 IonicContact CZ-OD2 3.65Å; R662-D676 IonicContact NE-OD1 3.2Å; R662-D676 PolarHBondContact NE-OD1 3.38Å; R662-D676 IonicContact NE-OD2 3.88Å; R662-D676 IonicContact NH2-OD1 2.87Å; R662-D676 PolarHBondContact NH2-OD1 3.48Å; R662-D676 IonicContact NH2-OD2 2.69Å; R662-D676 PolarHBondContact NH2-OD2 2.68Å; R662-V677 CarbonylContact C-O 3.5Å; R662-V677 VanDerWaalsContact CA-O 3.31Å; R662-V677 WeakPolarHBondContact CA-O 3.47Å; R662-I678 HydrophobicContact CB-CG1 3.97Å; R662-I678 HydrophobicContact CG-CG1 3.91Å; R662-L684 WeakPolarHBondContact O-CD1 3.32Å
663	W	98.1	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155	171.6	58	-81.8	0	0	0	111.1	V656 V665 V677 D679 L684 L696 I698 Y708 S717	V656-W663 CarbonylContact O-C 3.54Å; V656-W663 VanDerWaalsContact O-CA 3.23Å; V656-W663 WeakPolarHBondContact O-CA 3.35Å; V656-W663 WeakPolarHBondContact O-CB 3.29Å; W663-V665 HydrophobicContact CE3-CG2 4.17Å; W663-V665 HydrophobicContact CZ3-CG2 3.67Å; W663-V677 HydrophobicContact CD2-CB 4.15Å; W663-V677 HydrophobicContact CH2-CB 4.36Å; W663-V677 HydrophobicContact CH2-CG2 4.3Å; W663-V677 HydrophobicContact CZ2-CB 3.66Å; W663-V677 HydrophobicContact CZ2-CG1 3.65Å; W663-V677 HydrophobicContact CZ2-CG2 4.02Å; W663-V677 PolarHBondContact N-O 3.39Å; W663-V677 PolarHBondContact O-N 3.39Å; W663-D679 PolarHBondContact NE1-OD2 2.79Å; W663-L684 HydrophobicContact CB-CD1 3.73Å; W663-L684 HydrophobicContact CG-CD1 4.22Å; W663-L696 HydrophobicContact CE3-CD2 4.08Å; W663-L696 HydrophobicContact CH2-CD2 3.97Å; W663-L696 HydrophobicContact CZ3-CD2 3.49Å; W663-L696 VanDerWaalsContact CZ3-CD2 3.49Å; W663-I698 HydrophobicContact CD2-CD1 3.43Å; W663-I698 VanDerWaalsContact CD2-CD1 3.43Å; W663-I698 HydrophobicContact CE3-CD1 3.96Å; W663-I698 HydrophobicContact CG-CD1 3.76Å; W663-I698 HydrophobicContact CH2-CD1 4.16Å; W663-I698 HydrophobicContact CZ2-CD1 3.67Å; W663-I698 HydrophobicContact CZ3-CD1 4.28Å; W663-Y708 HydrophobicContact CH2-CD1 4.12Å; W663-Y708 HydrophobicContact CH2-CD2 4.31Å; W663-Y708 HydrophobicContact CH2-CE1 4.24Å; W663-Y708 HydrophobicContact CH2-CE2 4.47Å; W663-Y708 HydrophobicContact CH2-CG 4.16Å; W663-Y708 HydrophobicContact CZ2-CD1 4.04Å; W663-Y708 AromaticContact CZ2-CD2 3.85Å; W663-Y708 HydrophobicContact CZ2-CD2 3.85Å; W663-Y708 AromaticContact CZ2-CE1 3.77Å; W663-Y708 HydrophobicContact CZ2-CE1 3.77Å; W663-Y708 AromaticContact CZ2-CE2 3.61Å; W663-Y708 HydrophobicContact CZ2-CE2 3.61Å; W663-Y708 HydrophobicContact CZ2-CG 4.09Å; W663-Y708 AromaticContact CZ2-CZ 3.56Å; W663-S717 WeakPolarHBondContact CH2-OG 3.37Å
664	L	97.9	Very high	97	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	152.9	-177.1	-53.1	177.4	0	0	0	110	L638 A655 V656 L658 L666 I673 S675 D676	L638-L664 HydrophobicContact CD2-CD1 3.97Å; A655-L664 CarbonylContact C-O 3.57Å; A655-L664 WeakPolarHBondContact CA-O 3.4Å; V656-L664 PolarHBondContact N-O 2.65Å; V656-L664 PolarHBondContact O-N 3.43Å; L658-L664 HydrophobicContact CD1-CD1 4.34Å; L658-L664 HydrophobicContact CD1-CG 4.23Å; L664-L666 HydrophobicContact CB-CD1 3.74Å; L664-L666 HydrophobicContact CD1-CD1 4.4Å; L664-I673 HydrophobicContact CD1-CD1 4.19Å; L664-I673 HydrophobicContact CD2-CG2 4.11Å; L664-S675 CarbonylContact C-O 3.58Å; L664-S675 VanDerWaalsContact CA-O 3.31Å; L664-S675 WeakPolarHBondContact CA-O 3.44Å; L664-D676 HydrophobicContact CD2-CB 4.04Å; L664-D676 VanDerWaalsContact CD2-OD1 3.24Å; L664-D676 WeakPolarHBondContact CD2-OD1 3.1Å
665	V	98.1	Very high	96.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129	157.8	-177.5	0	0	0	0	107.5	V653 V654 W663 I673 V674 S675	V653-V665 HydrophobicContact CB-CG1 3.82Å; V653-V665 HydrophobicContact CG1-CG1 4.38Å; V653-V665 HydrophobicContact CG2-CG1 3.92Å; V654-V665 WeakPolarHBondContact O-CA 3.49Å; W663-V665 HydrophobicContact CE3-CG2 4.17Å; W663-V665 HydrophobicContact CZ3-CG2 3.67Å; V665-I673 CarbonylContact O-C 3.4Å; V665-V674 PolarHBondContact O-N 3.4Å; V665-S675 PolarHBondContact N-O 3.45Å; V665-S675 PolarHBondContact O-N 2.8Å
666	L	97.8	Very high	96.7	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145	178.3	-59.7	91.9	0	0	0	110.5	L622 I636 V653 V654 V656 L664 E672 I673	L622-L666 HydrophobicContact CD2-CD1 4Å; L622-L666 HydrophobicContact CD2-CD2 3.83Å; I636-L666 HydrophobicContact CD1-CD2 3.56Å; V653-L666 CarbonylContact C-O 3.57Å; V653-L666 WeakPolarHBondContact CA-O 3.37Å; V653-L666 VanDerWaalsContact CB-O 3.31Å; V653-L666 WeakPolarHBondContact CB-O 3.39Å; V654-L666 HydrophobicContact CG1-CB 4.16Å; V654-L666 PolarHBondContact N-O 3.11Å; V654-L666 PolarHBondContact O-N 3.49Å; V656-L666 HydrophobicContact CB-CD1 4.45Å; V656-L666 HydrophobicContact CG2-CD1 3.82Å; L664-L666 HydrophobicContact CB-CD1 3.74Å; L664-L666 HydrophobicContact CD1-CD1 4.4Å; L666-E672 VanDerWaalsContact CA-O 3.27Å; L666-E672 WeakPolarHBondContact CA-O 3.32Å; L666-I673 HydrophobicContact CD2-CG1 3.93Å; L666-I673 HydrophobicContact CG-CG1 4.04Å
667	D	97	Very high	96.6	Very high	44 Å²	44	44.3 Å²	44.3	24%	0.235	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	131.5	165	-176.2	-66.2	0	0	0	109.8	E669 T670 R671 E672 V674	D667-E669 VanDerWaalsContact C-N 3.3Å; D667-E669 PolarHBondContact O-N 2.7Å; D667-E669 PolarHBondContact OD1-N 2.91Å; D667-T670 WeakPolarHBondContact CB-OG1 3.38Å; D667-T670 PolarHBondContact OD1-N 3.41Å; D667-R671 VanDerWaalsContact O-CA 3.29Å; D667-R671 WeakPolarHBondContact O-CA 3.29Å; D667-R671 PolarHBondContact O-N 2.87Å; D667-R671 VanDerWaalsContact O-N 3.1Å; D667-E672 PolarHBondContact N-O 2.84Å; D667-V674 HydrophobicContact CB-CG2 4.15Å
668	T	96	Very high	96.6	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.018	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.3	-173.3	-59.5	0	0	0	0	113.2	L624 W634 F647 G651 A652	L624-T668 HydrophobicContact CD2-CG2 4.09Å; W634-T668 PolarHBondContact NE1-O 3.48Å; F647-T668 HydrophobicContact CE1-CG2 3.95Å; G651-T668 WeakPolarHBondContact O-CB 3.43Å; G651-T668 PolarHBondContact O-OG1 3.41Å; A652-T668 PolarHBondContact O-N 3.5Å; A652-T668 PolarHBondContact O-OG1 3.18Å
669	E	93.9	Very high	96.4	Very high	111 Å²	111	49.3 Å²	49.3	52%	0.519	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-45.6	-175.1	-66.2	-67.1	163.5	0	0	112.1	R612 D667 R671	R612-E669 IonicContact CZ-OE1 2.66Å; R612-E669 IonicContact NH1-OE1 3.91Å; R612-E669 PolarHBondContact NH1-OE1 2.74Å; R612-E669 IonicContact NH2-OE1 2.64Å; D667-E669 VanDerWaalsContact C-N 3.3Å; D667-E669 PolarHBondContact O-N 2.7Å; D667-E669 PolarHBondContact OD1-N 2.91Å; E669-R671 VanDerWaalsContact C-N 3.33Å
670	T	95.4	Very high	96.2	Very high	79 Å²	79	48 Å²	48	49%	0.485	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-21.5	177.7	79.5	0	0	0	0	112.9	D667 E672	D667-T670 WeakPolarHBondContact CB-OG1 3.38Å; D667-T670 PolarHBondContact OD1-N 3.41Å; T670-E672 PolarHBondContact O-N 3.32Å; T670-E672 WeakPolarHBondContact OG1-CG 3.36Å; T670-E672 PolarHBondContact OG1-N 3.04Å
671	R	95.4	Very high	96.1	Very high	124 Å²	124	51.1 Å²	51.1	47%	0.468	27%	0.269	S	S	.	.			trans	68.4	8.2	-178.8	-50	163.3	-151.4	-171.3	-3	113.9	W634 I636 D667 E669	W634-R671 HydrophobicContact CD2-CG 3.89Å; W634-R671 HydrophobicContact CE3-CG 4.49Å; W634-R671 HydrophobicContact CG-CG 3.99Å; W634-R671 HydrophobicContact CZ2-CG 4.37Å; I636-R671 HydrophobicContact CD1-CB 3.85Å; I636-R671 HydrophobicContact CG1-CB 4.49Å; D667-R671 VanDerWaalsContact O-CA 3.29Å; D667-R671 WeakPolarHBondContact O-CA 3.29Å; D667-R671 PolarHBondContact O-N 2.87Å; D667-R671 VanDerWaalsContact O-N 3.1Å; E669-R671 VanDerWaalsContact C-N 3.33Å
672	E	95.7	Very high	96.1	Very high	135 Å²	135	55.4 Å²	55.4	63%	0.631	29%	0.289	S	S	*	.			trans	-73.9	141.6	179.8	-65.6	-175.5	139.1	0	0	111.2	L666 D667 T670 V674	L666-E672 VanDerWaalsContact CA-O 3.27Å; L666-E672 WeakPolarHBondContact CA-O 3.32Å; D667-E672 PolarHBondContact N-O 2.84Å; T670-E672 PolarHBondContact O-N 3.32Å; T670-E672 WeakPolarHBondContact OG1-CG 3.36Å; T670-E672 PolarHBondContact OG1-N 3.04Å; E672-V674 PolarHBondContact O-N 3.11Å
673	I	95.9	Very high	96.1	Very high	81 Å²	81	57.8 Å²	57.8	42%	0.415	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	106.2	173.4	-62.9	168.8	0	0	0	107.8	L664 V665 L666 S675 D676	L664-I673 HydrophobicContact CD1-CD1 4.19Å; L664-I673 HydrophobicContact CD2-CG2 4.11Å; V665-I673 CarbonylContact O-C 3.4Å; L666-I673 HydrophobicContact CD2-CG1 3.93Å; L666-I673 HydrophobicContact CG-CG1 4.04Å; I673-S675 VanDerWaalsContact CG2-O 3.3Å; I673-S675 WeakPolarHBondContact CG2-O 2.96Å; I673-D676 HydrophobicContact CG2-CB 4.14Å
674	V	95.7	Very high	96.1	Very high	71 Å²	71	57.8 Å²	57.8	43%	0.43	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-27.5	-176.8	-166.5	0	0	0	0	111.8	V665 D667 E672 A715	V665-V674 PolarHBondContact O-N 3.4Å; D667-V674 HydrophobicContact CB-CG2 4.15Å; E672-V674 PolarHBondContact O-N 3.11Å; V674-A715 HydrophobicContact CG1-CB 3.88Å
675	S	95	Very high	96.1	Very high	19 Å²	19	58.9 Å²	58.9	13%	0.133	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	140.4	174.2	-163.4	0	0	0	0	110.7	L664 V665 I673 V677 S717	L664-S675 CarbonylContact C-O 3.58Å; L664-S675 VanDerWaalsContact CA-O 3.31Å; L664-S675 WeakPolarHBondContact CA-O 3.44Å; V665-S675 PolarHBondContact N-O 3.45Å; V665-S675 PolarHBondContact O-N 2.8Å; I673-S675 VanDerWaalsContact CG2-O 3.3Å; I673-S675 WeakPolarHBondContact CG2-O 2.96Å; S675-V677 WeakPolarHBondContact OG-CG2 3.34Å; S675-S717 PolarHBondContact OG-OG 3.17Å
676	D	95.9	Very high	96.1	Very high	78 Å²	78	59.4 Å²	59.4	42%	0.417	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	103.1	-179.4	-175.3	10.1	0	0	0	108.3	R662 L664 I673	R662-D676 IonicContact CZ-OD1 3.7Å; R662-D676 VanDerWaalsContact CZ-OD1 3.23Å; R662-D676 IonicContact CZ-OD2 3.65Å; R662-D676 IonicContact NE-OD1 3.2Å; R662-D676 PolarHBondContact NE-OD1 3.38Å; R662-D676 IonicContact NE-OD2 3.88Å; R662-D676 IonicContact NH2-OD1 2.87Å; R662-D676 PolarHBondContact NH2-OD1 3.48Å; R662-D676 IonicContact NH2-OD2 2.69Å; R662-D676 PolarHBondContact NH2-OD2 2.68Å; L664-D676 HydrophobicContact CD2-CB 4.04Å; L664-D676 VanDerWaalsContact CD2-OD1 3.24Å; L664-D676 WeakPolarHBondContact CD2-OD1 3.1Å; I673-D676 HydrophobicContact CG2-CB 4.14Å
677	V	97.1	Very high	96.1	Very high	32 Å²	32	59.4 Å²	59.4	19%	0.194	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.9	-165.2	-178	0	0	0	0	110.5	R662 W663 S675 Y708	R662-V677 CarbonylContact C-O 3.5Å; R662-V677 VanDerWaalsContact CA-O 3.31Å; R662-V677 WeakPolarHBondContact CA-O 3.47Å; W663-V677 HydrophobicContact CD2-CB 4.15Å; W663-V677 HydrophobicContact CH2-CB 4.36Å; W663-V677 HydrophobicContact CH2-CG2 4.3Å; W663-V677 HydrophobicContact CZ2-CB 3.66Å; W663-V677 HydrophobicContact CZ2-CG1 3.65Å; W663-V677 HydrophobicContact CZ2-CG2 4.02Å; W663-V677 PolarHBondContact N-O 3.39Å; W663-V677 PolarHBondContact O-N 3.39Å; S675-V677 WeakPolarHBondContact OG-CG2 3.34Å; V677-Y708 WeakPolarHBondContact CG1-OH 3.46Å
678	I	97.1	Very high	96.2	Very high	104 Å²	104	58.2 Å²	58.2	53%	0.533	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.2	177.3	-56.2	173.8	0	0	0	109.5	R662	R662-I678 HydrophobicContact CB-CG1 3.97Å; R662-I678 HydrophobicContact CG-CG1 3.91Å
679	D	94.5	Very high	96.3	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	31%	0.306	C	S	.	.			trans	-126.8	117.7	173.1	-76.9	-79.5	0	0	0	109.6	G661 W663 Y706 Y708 R719	G661-D679 VanDerWaalsContact CA-O 3.25Å; G661-D679 WeakPolarHBondContact CA-O 3.33Å; G661-D679 PolarHBondContact O-N 2.83Å; W663-D679 PolarHBondContact NE1-OD2 2.79Å; D679-Y706 HydrophobicContact CB-CD1 3.71Å; D679-Y706 HydrophobicContact CB-CD2 3.99Å; D679-Y706 HydrophobicContact CB-CE1 3.76Å; D679-Y706 HydrophobicContact CB-CE2 4.07Å; D679-Y706 HydrophobicContact CB-CG 3.82Å; D679-Y706 WeakPolarHBondContact OD1-CD1 3.33Å; D679-Y706 WeakPolarHBondContact OD1-CE1 3.35Å; D679-Y708 PolarHBondContact OD1-OH 2.66Å; D679-Y708 WeakPolarHBondContact OD2-CE2 3.36Å; D679-Y708 PolarHBondContact OD2-OH 2.98Å; D679-R719 IonicContact OD1-CZ 2.8Å; D679-R719 IonicContact OD1-NE 3.36Å; D679-R719 PolarHBondContact OD1-NE 2.79Å; D679-R719 IonicContact OD1-NH2 3.63Å; D679-R719 PolarHBondContact OD1-NH2 3.35Å; D679-R719 IonicContact OD2-NH2 2.7Å
680	G	92.1	Very high	96.5	Very high	37 Å²	37	53.4 Å²	53.4	38%	0.381	28%	0.282	S	S	.	.	S	Bend	trans	72.2	-149.3	-174.6	0	0	0	0	0	113
681	N	94.6	Very high	96.6	Very high	116 Å²	116	52.5 Å²	52.5	62%	0.62	28%	0.277	S	S	*	.	S	Bend	trans	-149.5	12.2	178.9	70.1	-99.3	0	0	0	112.9	T660	T660-N681 CarbonylContact O-C 3.37Å; T660-N681 WeakPolarHBondContact O-CA 3.31Å
682	E	97.6	Very high	96.6	Very high	89 Å²	89	50.4 Å²	50.4	42%	0.416	28%	0.275	S	S	.	.	S	Bend	trans	-118	159.1	-172.3	-66.2	-63	156.7	0	0	109.4	T660 G661 H701 D702	T660-E682 CarbonylContact C-O 3.57Å; G661-E682 WeakPolarHBondContact CA-O 3.49Å; G661-E682 PolarHBondContact N-O 2.89Å; E682-H701 HydrophobicContact CB-CB 3.9Å; E682-D702 HydrophobicContact CB-CB 4.36Å; E682-D702 HydrophobicContact CG-CB 4.23Å
683	Q	97.5	Very high	96.6	Very high	79 Å²	79	44 Å²	44	37%	0.369	25%	0.246	S	C	.	.			trans	-60.7	142.3	-173.5	71	173.8	45.5	0	0	113.5	L643 N659 H701	L643-Q683 HydrophobicContact CD1-CB 3.71Å; L643-Q683 HydrophobicContact CD1-CG 4.34Å; N659-Q683 HydrophobicContact CB-CB 4.44Å; Q683-H701 HydrophobicContact CG-CB 3.86Å; Q683-H701 VanDerWaalsContact CG-CD2 3.44Å; Q683-H701 WeakPolarHBondContact CG-CD2 3.4Å; Q683-H701 PolarHBondContact NE2-CE1 3.42Å; Q683-H701 PolarHBondContact NE2-NE2 3.35Å; Q683-H701 WeakPolarHBondContact O-CB 3.3Å; Q683-H701 PolarHBondContact O-CD2 3.08Å; Q683-H701 PolarHBondContact O-N 2.7Å
684	L	98.5	Very high	96.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	114.6	174.7	-57.4	-176.5	0	0	0	109.8	C644 L658 R662 W663 I698 G699	C644-L684 PolarHBondContact SG-O 3.04Å; C644-L684 VanDerWaalsContact SG-O 3.32Å; L658-L684 PolarHBondContact O-N 3.13Å; L658-L684 VanDerWaalsContact O-N 3.08Å; R662-L684 WeakPolarHBondContact O-CD1 3.32Å; W663-L684 HydrophobicContact CB-CD1 3.73Å; W663-L684 HydrophobicContact CG-CD1 4.22Å; L684-I698 HydrophobicContact CD1-CG2 3.76Å; L684-I698 HydrophobicContact CD2-CG2 3.82Å; L684-I698 HydrophobicContact CG-CG2 4.27Å; L684-G699 WeakPolarHBondContact CA-O 3.48Å
685	S	97.5	Very high	96.7	Very high	29 Å²	29	43 Å²	43	20%	0.203	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-29.8	-176.6	49.4	0	0	0	0	112.9	C644 G699 I730	C644-S685 WeakPolarHBondContact CB-O 3.19Å; S685-G699 PolarHBondContact N-O 3.4Å; S685-G699 PolarHBondContact OG-O 2.79Å; S685-I730 VanDerWaalsContact CB-O 3.31Å; S685-I730 WeakPolarHBondContact CB-O 3.44Å; S685-I730 PolarHBondContact OG-O 3.15Å
686	V	97.9	Very high	96.9	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.067	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	137.5	-178.1	62.8	0	0	0	0	111.8	C644 R688 G699 I730 L733	C644-V686 VanDerWaalsContact SG-CA 3.56Å; C644-V686 PolarHBondContact SG-N 3.28Å; V686-R688 HydrophobicContact CG2-CG 3.85Å; V686-G699 PolarHBondContact O-N 2.88Å; V686-I730 HydrophobicContact CG1-CG2 4.28Å; V686-L733 HydrophobicContact CG1-CB 4.16Å; V686-L733 HydrophobicContact CG1-CD1 3.78Å; V686-L733 HydrophobicContact CG1-CG 3.63Å
687	V	98.2	Very high	97	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.3	165	-66.8	0	0	0	0	108.2	D646 A655 L696 A697 I698	D646-V687 HydrophobicContact CB-CG2 4.08Å; D646-V687 WeakPolarHBondContact CB-O 3.34Å; A655-V687 HydrophobicContact CB-CG2 4.26Å; V687-L696 HydrophobicContact CB-CD1 4.36Å; V687-A697 CarbonylContact C-O 3.57Å; V687-A697 WeakPolarHBondContact CA-O 3.41Å; V687-I698 HydrophobicContact CG1-CG1 4.17Å; V687-I698 HydrophobicContact CG1-CG2 4.17Å
688	R	98.3	Very high	97.1	Very high	19 Å²	19	36.9 Å²	36.9	7%	0.072	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	120.3	179.6	-60.3	-62.5	-112.6	146.1	4.2	112.3	D646 V686 A697 L733 D734 W735 T776 T778	D646-R688 IonicContact OD1-NH1 2.61Å; D646-R688 PolarHBondContact OD1-NH1 2.84Å; D646-R688 VanDerWaalsContact OD1-NH1 3.08Å; D646-R688 VanDerWaalsContact OD2-CA 3.31Å; D646-R688 WeakPolarHBondContact OD2-CA 3.44Å; V686-R688 HydrophobicContact CG2-CG 3.85Å; R688-A697 PolarHBondContact N-O 3.45Å; R688-A697 PolarHBondContact O-N 3.11Å; R688-L733 HydrophobicContact CG-CB 3.98Å; R688-L733 PolarHBondContact NE-O 2.95Å; R688-D734 IonicContact CZ-OD1 3.88Å; R688-D734 IonicContact NH2-OD1 3.23Å; R688-D734 PolarHBondContact NH2-OD1 3.01Å; R688-W735 PolarHBondContact O-NE1 3.12Å; R688-W735 VanDerWaalsContact O-NE1 3.08Å; R688-T776 PolarHBondContact NH2-OG1 3Å; R688-T778 VanDerWaalsContact NH2-CG2 3.32Å; R688-T778 PolarHBondContact NH2-OG1 2.97Å
689	Y	98.4	Very high	97.1	Very high	12 Å²	12	31.9 Å²	31.9	5%	0.047	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	150.1	163.8	-72	-84.2	0	0	0	110.8	D646 F647 H648 A655 Y695 L696 V710 W735	D646-Y689 PolarHBondContact OD2-N 2.77Å; F647-Y689 VanDerWaalsContact C-CD2 3.46Å; F647-Y689 WeakPolarHBondContact O-CD2 3.24Å; H648-Y689 HydrophobicContact CB-CD1 4.27Å; H648-Y689 HydrophobicContact CB-CD2 4.15Å; H648-Y689 HydrophobicContact CB-CE1 4.09Å; H648-Y689 HydrophobicContact CB-CE2 3.96Å; H648-Y689 HydrophobicContact CB-CG 4.28Å; H648-Y689 AromaticContact CD2-CD1 3.71Å; H648-Y689 AromaticContact CD2-CE1 3.84Å; A655-Y689 HydrophobicContact CB-CD2 4.49Å; A655-Y689 HydrophobicContact CB-CE2 3.54Å; Y689-Y695 CarbonylContact C-O 3.59Å; Y689-Y695 WeakPolarHBondContact CA-O 3.47Å; Y689-L696 HydrophobicContact CD1-CB 4.02Å; Y689-L696 HydrophobicContact CD1-CD1 4.19Å; Y689-L696 HydrophobicContact CD2-CD1 4.13Å; Y689-L696 HydrophobicContact CE1-CB 4.02Å; Y689-L696 HydrophobicContact CE1-CD1 4.24Å; Y689-L696 HydrophobicContact CE1-CD2 4.26Å; Y689-L696 HydrophobicContact CE1-CG 4.4Å; Y689-L696 HydrophobicContact CE2-CD1 4.19Å; Y689-L696 HydrophobicContact CG-CD1 4.16Å; Y689-V710 HydrophobicContact CD1-CG2 4.44Å; Y689-V710 HydrophobicContact CE1-CG1 4.06Å; Y689-V710 HydrophobicContact CE1-CG2 4.19Å; Y689-W735 PolarHBondContact O-NE1 2.78Å
690	S	97.9	Very high	97.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	17%	0.173	C	C	.	.			trans	-70.8	157.7	169.1	56	0	0	0	0	110.7	P649 D692 G693 L694 Y695	P649-S690 WeakPolarHBondContact CG-O 3.2Å; S690-D692 VanDerWaalsContact CB-OD1 3.22Å; S690-D692 WeakPolarHBondContact CB-OD1 3.3Å; S690-D692 PolarHBondContact O-N 3.41Å; S690-D692 VanDerWaalsContact O-N 3.14Å; S690-D692 PolarHBondContact OG-OD1 2.86Å; S690-G693 PolarHBondContact O-N 2.98Å; S690-L694 PolarHBondContact OG-N 3.26Å; S690-Y695 PolarHBondContact N-O 3.46Å; S690-Y695 PolarHBondContact OG-N 3.32Å; S690-Y695 PolarHBondContact OG-O 3.08Å
691	P	97.1	Very high	97.6	Very high	60 Å²	60	32.2 Å²	32.2	39%	0.39	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.9	-175.4	-23.3	35.1	0	0	0	114.5	W735 A775	P691-W735 HydrophobicContact CG-CB 4.28Å; P691-A775 HydrophobicContact CB-CB 4.42Å; P691-A775 HydrophobicContact CG-CB 3.52Å
692	D	95.4	Very high	97.8	Very high	80 Å²	80	28.7 Å²	28.7	43%	0.428	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-5	175	61.9	-2	0	0	0	113.6	S690 L694	S690-D692 VanDerWaalsContact CB-OD1 3.22Å; S690-D692 WeakPolarHBondContact CB-OD1 3.3Å; S690-D692 PolarHBondContact O-N 3.41Å; S690-D692 VanDerWaalsContact O-N 3.14Å; S690-D692 PolarHBondContact OG-OD1 2.86Å; D692-L694 HydrophobicContact CB-CG 4.21Å; D692-L694 PolarHBondContact O-N 3.34Å; D692-L694 PolarHBondContact OD1-N 3.42Å; D692-L694 VanDerWaalsContact OD1-N 3.09Å; D692-L694 WeakPolarHBondContact OD2-CD1 3.43Å
693	G	96.2	Very high	97.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	14%	0.14	C	C	.	.	S	Bend	trans	75.4	-6.4	-176.6	0	0	0	0	0	115.5	H648 S690 Y695 V710	H648-G693 WeakPolarHBondContact NE2-CA 3.23Å; H648-G693 PolarHBondContact NE2-O 3.01Å; S690-G693 PolarHBondContact O-N 2.98Å; G693-Y695 VanDerWaalsContact C-N 3.28Å; G693-Y695 PolarHBondContact O-N 3.17Å; G693-V710 WeakPolarHBondContact O-CB 3.49Å
694	L	96.2	Very high	97.8	Very high	85 Å²	85	23.7 Å²	23.7	45%	0.445	13%	0.126	S	C	.	.	S	Bend	trans	-73.6	-16.1	-171.3	-60.1	-174.5	0	0	0	114.3	S690 D692 S709 V710	S690-L694 PolarHBondContact OG-N 3.26Å; D692-L694 HydrophobicContact CB-CG 4.21Å; D692-L694 PolarHBondContact O-N 3.34Å; D692-L694 PolarHBondContact OD1-N 3.42Å; D692-L694 VanDerWaalsContact OD1-N 3.09Å; D692-L694 WeakPolarHBondContact OD2-CD1 3.43Å; L694-S709 WeakPolarHBondContact O-CA 3.41Å; L694-V710 PolarHBondContact O-N 3.06Å
695	Y	97.8	Very high	97.8	Very high	46 Å²	46	23.7 Å²	23.7	18%	0.18	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.5	178.6	-62.3	-81.7	0	0	0	112.8	Y689 S690 G693 I707 Y708 F720 W735 V756	Y689-Y695 CarbonylContact C-O 3.59Å; Y689-Y695 WeakPolarHBondContact CA-O 3.47Å; S690-Y695 PolarHBondContact N-O 3.46Å; S690-Y695 PolarHBondContact OG-N 3.32Å; S690-Y695 PolarHBondContact OG-O 3.08Å; G693-Y695 VanDerWaalsContact C-N 3.28Å; G693-Y695 PolarHBondContact O-N 3.17Å; Y695-I707 HydrophobicContact CD1-CG2 3.92Å; Y695-Y708 CarbonylContact C-O 3.54Å; Y695-Y708 WeakPolarHBondContact CA-O 3.29Å; Y695-F720 HydrophobicContact CD1-CD1 4.31Å; Y695-F720 HydrophobicContact CD1-CG 4.4Å; Y695-F720 AromaticContact CE1-CD1 3.81Å; Y695-F720 HydrophobicContact CE1-CD1 3.81Å; Y695-F720 AromaticContact CE1-CD2 3.94Å; Y695-F720 HydrophobicContact CE1-CD2 3.94Å; Y695-F720 AromaticContact CE1-CE1 3.89Å; Y695-F720 HydrophobicContact CE1-CE1 3.89Å; Y695-F720 HydrophobicContact CE1-CE2 4.01Å; Y695-F720 AromaticContact CE1-CG 3.83Å; Y695-F720 HydrophobicContact CE1-CG 3.83Å; Y695-F720 AromaticContact CE1-CZ 3.98Å; Y695-F720 HydrophobicContact CE1-CZ 3.98Å; Y695-W735 VanDerWaalsContact CB-CH2 3.42Å; Y695-W735 HydrophobicContact CD2-CH2 4.4Å; Y695-W735 HydrophobicContact CG-CH2 4.03Å; Y695-V756 HydrophobicContact CD1-CG1 4.43Å; Y695-V756 HydrophobicContact CE1-CG1 4.43Å
696	L	98.3	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.9	168.7	172.7	60.6	0	0	0	108.6	A655 W663 V687 Y689 I698 I707 Y708 V710	A655-L696 HydrophobicContact CB-CD1 4.16Å; A655-L696 HydrophobicContact CB-CD2 4.12Å; W663-L696 HydrophobicContact CE3-CD2 4.08Å; W663-L696 HydrophobicContact CH2-CD2 3.97Å; W663-L696 HydrophobicContact CZ3-CD2 3.49Å; W663-L696 VanDerWaalsContact CZ3-CD2 3.49Å; V687-L696 HydrophobicContact CB-CD1 4.36Å; Y689-L696 HydrophobicContact CD1-CB 4.02Å; Y689-L696 HydrophobicContact CD1-CD1 4.19Å; Y689-L696 HydrophobicContact CD2-CD1 4.13Å; Y689-L696 HydrophobicContact CE1-CB 4.02Å; Y689-L696 HydrophobicContact CE1-CD1 4.24Å; Y689-L696 HydrophobicContact CE1-CD2 4.26Å; Y689-L696 HydrophobicContact CE1-CG 4.4Å; Y689-L696 HydrophobicContact CE2-CD1 4.19Å; Y689-L696 HydrophobicContact CG-CD1 4.16Å; L696-I698 HydrophobicContact CD2-CD1 4.23Å; L696-I698 HydrophobicContact CD2-CG1 4.5Å; L696-I698 HydrophobicContact CG-CD1 4.29Å; L696-I698 HydrophobicContact CG-CG1 4.05Å; L696-I707 WeakPolarHBondContact O-CA 3.48Å; L696-Y708 PolarHBondContact N-O 3.15Å; L696-Y708 PolarHBondContact O-N 2.95Å; L696-V710 HydrophobicContact CB-CG2 3.71Å
697	A	98.7	Very high	97.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.9	174.3	0	0	0	0	0	110.8	V687 R688 I705 Y706 I707 L733 W735 I742	V687-A697 CarbonylContact C-O 3.57Å; V687-A697 WeakPolarHBondContact CA-O 3.41Å; R688-A697 PolarHBondContact N-O 3.45Å; R688-A697 PolarHBondContact O-N 3.11Å; A697-I705 HydrophobicContact CB-CG2 4.15Å; A697-Y706 CarbonylContact C-O 3.59Å; A697-Y706 WeakPolarHBondContact CA-O 3.33Å; A697-I707 HydrophobicContact CB-CD1 3.64Å; A697-L733 HydrophobicContact CB-CD1 4.15Å; A697-W735 HydrophobicContact CB-CZ2 3.6Å; A697-I742 HydrophobicContact CB-CD1 3.71Å
698	I	98.7	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	108.8	-174	-54.9	-177.4	0	0	0	108.7	W663 L684 V687 L696 I705 Y706 Y708	W663-I698 HydrophobicContact CD2-CD1 3.43Å; W663-I698 VanDerWaalsContact CD2-CD1 3.43Å; W663-I698 HydrophobicContact CE3-CD1 3.96Å; W663-I698 HydrophobicContact CG-CD1 3.76Å; W663-I698 HydrophobicContact CH2-CD1 4.16Å; W663-I698 HydrophobicContact CZ2-CD1 3.67Å; W663-I698 HydrophobicContact CZ3-CD1 4.28Å; L684-I698 HydrophobicContact CD1-CG2 3.76Å; L684-I698 HydrophobicContact CD2-CG2 3.82Å; L684-I698 HydrophobicContact CG-CG2 4.27Å; V687-I698 HydrophobicContact CG1-CG1 4.17Å; V687-I698 HydrophobicContact CG1-CG2 4.17Å; L696-I698 HydrophobicContact CD2-CD1 4.23Å; L696-I698 HydrophobicContact CD2-CG1 4.5Å; L696-I698 HydrophobicContact CG-CD1 4.29Å; L696-I698 HydrophobicContact CG-CG1 4.05Å; I698-I705 CarbonylContact O-C 3.53Å; I698-I705 VanDerWaalsContact O-CA 3.29Å; I698-I705 WeakPolarHBondContact O-CA 3.46Å; I698-Y706 PolarHBondContact N-O 2.7Å; I698-Y706 PolarHBondContact O-N 3.28Å; I698-Y708 HydrophobicContact CD1-CD2 4.27Å; I698-Y708 HydrophobicContact CD1-CE2 4.43Å
699	G	98.6	Very high	97.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	125	177.1	0	0	0	0	0	111.7	L684 S685 V686	L684-G699 WeakPolarHBondContact CA-O 3.48Å; S685-G699 PolarHBondContact N-O 3.4Å; S685-G699 PolarHBondContact OG-O 2.79Å; V686-G699 PolarHBondContact O-N 2.88Å
700	S	98.4	Very high	97.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	155.3	-176.4	177.6	0	0	0	0	112.5	D702 N703 V704 I730	S700-D702 VanDerWaalsContact CB-OD1 3.23Å; S700-D702 WeakPolarHBondContact CB-OD1 3.36Å; S700-D702 PolarHBondContact O-N 3.07Å; S700-D702 PolarHBondContact OG-N 2.88Å; S700-D702 PolarHBondContact OG-OD1 2.88Å; S700-D702 PolarHBondContact OG-OD2 3.29Å; S700-N703 PolarHBondContact O-N 3.39Å; S700-V704 PolarHBondContact N-O 2.9Å; S700-V704 VanDerWaalsContact N-O 3.08Å; S700-I730 WeakPolarHBondContact O-CG1 3.24Å; S700-I730 PolarHBondContact O-N 2.69Å
701	H	98.4	Very high	97.5	Very high	48 Å²	48	25 Å²	25	22%	0.222	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-0.4	169.2	-84.6	-125.3	0	0	0	114.2	E682 Q683 N703 F729	E682-H701 HydrophobicContact CB-CB 3.9Å; Q683-H701 HydrophobicContact CG-CB 3.86Å; Q683-H701 VanDerWaalsContact CG-CD2 3.44Å; Q683-H701 WeakPolarHBondContact CG-CD2 3.4Å; Q683-H701 PolarHBondContact NE2-CE1 3.42Å; Q683-H701 PolarHBondContact NE2-NE2 3.35Å; Q683-H701 WeakPolarHBondContact O-CB 3.3Å; Q683-H701 PolarHBondContact O-CD2 3.08Å; Q683-H701 PolarHBondContact O-N 2.7Å; H701-N703 PolarHBondContact O-N 2.9Å; H701-F729 HydrophobicContact CB-CB 3.94Å; H701-F729 AromaticContact CE1-CD2 3.37Å; H701-F729 WeakPolarHBondContact CE1-CD2 3.44Å; H701-F729 AromaticContact CE1-CE2 3.92Å; H701-F729 AromaticContact CE1-CG 3.66Å; H701-F729 AromaticContact ND1-CD2 3.86Å; H701-F729 AromaticContact ND1-CG 3.64Å; H701-F729 AromaticContact NE2-CD2 3.72Å
702	D	97.7	Very high	96.9	Very high	41 Å²	41	27.3 Å²	27.3	22%	0.219	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	10.9	167	69.2	18.8	0	0	0	114.4	E682 S700 V704 Y706	E682-D702 HydrophobicContact CB-CB 4.36Å; E682-D702 HydrophobicContact CG-CB 4.23Å; S700-D702 VanDerWaalsContact CB-OD1 3.23Å; S700-D702 WeakPolarHBondContact CB-OD1 3.36Å; S700-D702 PolarHBondContact O-N 3.07Å; S700-D702 PolarHBondContact OG-N 2.88Å; S700-D702 PolarHBondContact OG-OD1 2.88Å; S700-D702 PolarHBondContact OG-OD2 3.29Å; D702-V704 VanDerWaalsContact C-N 3.28Å; D702-V704 PolarHBondContact O-N 3.49Å; D702-V704 WeakPolarHBondContact OD1-CA 3.47Å; D702-V704 WeakPolarHBondContact OD1-CB 3.29Å; D702-V704 PolarHBondContact OD1-N 3.1Å; D702-Y706 WeakPolarHBondContact OD2-CE2 3.24Å; D702-Y706 PolarHBondContact OD2-OH 3.45Å
703	N	98.1	Very high	96.4	Very high	50 Å²	50	26.9 Å²	26.9	27%	0.267	15%	0.152	S	C	.	.	S	Bend	trans	70	8.5	-176.3	-49.5	-0.5	0	0	0	115.4	S700 H701 H726 S727 S728 F729	S700-N703 PolarHBondContact O-N 3.39Å; H701-N703 PolarHBondContact O-N 2.9Å; N703-H726 HydrophobicContact CB-CB 4.49Å; N703-S727 PolarHBondContact ND2-O 3.27Å; N703-S727 VanDerWaalsContact ND2-O 3.13Å; N703-S728 WeakPolarHBondContact CB-O 3.5Å; N703-S728 VanDerWaalsContact CG-O 3.32Å; N703-S728 PolarHBondContact ND2-N 3.29Å; N703-S728 WeakPolarHBondContact OD1-CA 3.41Å; N703-S728 PolarHBondContact OD1-O 3.35Å; N703-F729 PolarHBondContact OD1-N 3.13Å; N703-F729 VanDerWaalsContact OD1-N 3.09Å
704	V	98.1	Very high	95.8	Very high	13 Å²	13	26.9 Å²	26.9	8%	0.079	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147.9	-178.4	-175	0	0	0	0	111.3	S700 D702 Y706 R722 C723 M724	S700-V704 PolarHBondContact N-O 2.9Å; S700-V704 VanDerWaalsContact N-O 3.08Å; D702-V704 VanDerWaalsContact C-N 3.28Å; D702-V704 PolarHBondContact O-N 3.49Å; D702-V704 WeakPolarHBondContact OD1-CA 3.47Å; D702-V704 WeakPolarHBondContact OD1-CB 3.29Å; D702-V704 PolarHBondContact OD1-N 3.1Å; V704-Y706 HydrophobicContact CB-CD2 4.42Å; V704-Y706 HydrophobicContact CB-CE2 3.86Å; V704-Y706 HydrophobicContact CG1-CD2 4.23Å; V704-Y706 HydrophobicContact CG1-CE2 4Å; V704-R722 HydrophobicContact CG1-CB 3.92Å; V704-R722 HydrophobicContact CG1-CG 4.36Å; V704-C723 WeakPolarHBondContact CG1-O 3.45Å; V704-M724 HydrophobicContact CG1-CG 3.89Å; V704-M724 HydrophobicContact CG2-CG 4.05Å
705	I	98.7	Very high	95.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118	164.8	-46.2	155.4	0	0	0	107.6	A697 I698 I707 R722 C723 I730 L733 W754	A697-I705 HydrophobicContact CB-CG2 4.15Å; I698-I705 CarbonylContact O-C 3.53Å; I698-I705 VanDerWaalsContact O-CA 3.29Å; I698-I705 WeakPolarHBondContact O-CA 3.46Å; I705-I707 HydrophobicContact CG2-CD1 3.92Å; I705-R722 CarbonylContact O-C 3.48Å; I705-R722 WeakPolarHBondContact O-CA 3.33Å; I705-C723 HydrophobicContact CB-CB 4.05Å; I705-C723 HydrophobicContact CD1-CB 4.19Å; I705-C723 PolarHBondContact N-O 2.87Å; I705-C723 VanDerWaalsContact N-O 3.13Å; I705-C723 PolarHBondContact O-N 2.93Å; I705-I730 HydrophobicContact CD1-CD1 4.27Å; I705-I730 HydrophobicContact CG1-CD1 3.75Å; I705-I730 HydrophobicContact CG1-CG1 3.88Å; I705-I730 HydrophobicContact CG1-CG2 4.41Å; I705-L733 HydrophobicContact CD1-CD2 3.49Å; I705-L733 VanDerWaalsContact CD1-CD2 3.49Å; I705-L733 HydrophobicContact CG1-CD1 4.44Å; I705-L733 HydrophobicContact CG1-CD2 3.88Å; I705-L733 HydrophobicContact CG2-CD1 3.59Å; I705-L733 HydrophobicContact CG2-CD2 4.29Å; I705-W754 HydrophobicContact CD1-CZ2 4.48Å
706	Y	98.5	Very high	94.8	Very high	10 Å²	10	28.5 Å²	28.5	4%	0.039	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	133	177	-61.1	-101	0	0	0	108.9	D679 A697 I698 D702 V704 R722	D679-Y706 HydrophobicContact CB-CD1 3.71Å; D679-Y706 HydrophobicContact CB-CD2 3.99Å; D679-Y706 HydrophobicContact CB-CE1 3.76Å; D679-Y706 HydrophobicContact CB-CE2 4.07Å; D679-Y706 HydrophobicContact CB-CG 3.82Å; D679-Y706 WeakPolarHBondContact OD1-CD1 3.33Å; D679-Y706 WeakPolarHBondContact OD1-CE1 3.35Å; A697-Y706 CarbonylContact C-O 3.59Å; A697-Y706 WeakPolarHBondContact CA-O 3.33Å; I698-Y706 PolarHBondContact N-O 2.7Å; I698-Y706 PolarHBondContact O-N 3.28Å; D702-Y706 WeakPolarHBondContact OD2-CE2 3.24Å; D702-Y706 PolarHBondContact OD2-OH 3.45Å; V704-Y706 HydrophobicContact CB-CD2 4.42Å; V704-Y706 HydrophobicContact CB-CE2 3.86Å; V704-Y706 HydrophobicContact CG1-CD2 4.23Å; V704-Y706 HydrophobicContact CG1-CE2 4Å; Y706-R722 HydrophobicContact CD1-CG 3.86Å; Y706-R722 HydrophobicContact CE1-CG 4.24Å; Y706-R722 PolarHBondContact OH-NH2 2.7Å
707	I	98.5	Very high	94.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128	179.6	-50.2	-60.6	0	0	0	109.3	Y695 L696 A697 I705 F720 G721 I742 V756	Y695-I707 HydrophobicContact CD1-CG2 3.92Å; L696-I707 WeakPolarHBondContact O-CA 3.48Å; A697-I707 HydrophobicContact CB-CD1 3.64Å; I705-I707 HydrophobicContact CG2-CD1 3.92Å; I707-F720 HydrophobicContact CB-CD1 4.33Å; I707-F720 HydrophobicContact CG2-CB 4.4Å; I707-F720 HydrophobicContact CG2-CD1 3.82Å; I707-F720 PolarHBondContact O-N 3.16Å; I707-G721 PolarHBondContact N-O 2.87Å; I707-G721 PolarHBondContact O-N 2.97Å; I707-I742 HydrophobicContact CD1-CD1 3.56Å; I707-V756 HydrophobicContact CG2-CG1 3.86Å
708	Y	98.1	Very high	94.3	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.027	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.6	173.1	-78.8	-102.1	0	0	0	109.8	W663 V677 D679 Y695 L696 I698 S718 R719	W663-Y708 HydrophobicContact CH2-CD1 4.12Å; W663-Y708 HydrophobicContact CH2-CD2 4.31Å; W663-Y708 HydrophobicContact CH2-CE1 4.24Å; W663-Y708 HydrophobicContact CH2-CE2 4.47Å; W663-Y708 HydrophobicContact CH2-CG 4.16Å; W663-Y708 HydrophobicContact CZ2-CD1 4.04Å; W663-Y708 AromaticContact CZ2-CD2 3.85Å; W663-Y708 HydrophobicContact CZ2-CD2 3.85Å; W663-Y708 AromaticContact CZ2-CE1 3.77Å; W663-Y708 HydrophobicContact CZ2-CE1 3.77Å; W663-Y708 AromaticContact CZ2-CE2 3.61Å; W663-Y708 HydrophobicContact CZ2-CE2 3.61Å; W663-Y708 HydrophobicContact CZ2-CG 4.09Å; W663-Y708 AromaticContact CZ2-CZ 3.56Å; V677-Y708 WeakPolarHBondContact CG1-OH 3.46Å; D679-Y708 PolarHBondContact OD1-OH 2.66Å; D679-Y708 WeakPolarHBondContact OD2-CE2 3.36Å; D679-Y708 PolarHBondContact OD2-OH 2.98Å; Y695-Y708 CarbonylContact C-O 3.54Å; Y695-Y708 WeakPolarHBondContact CA-O 3.29Å; L696-Y708 PolarHBondContact N-O 3.15Å; L696-Y708 PolarHBondContact O-N 2.95Å; I698-Y708 HydrophobicContact CD1-CD2 4.27Å; I698-Y708 HydrophobicContact CD1-CE2 4.43Å; Y708-S718 CarbonylContact C-O 3.57Å; Y708-S718 VanDerWaalsContact CA-O 3.32Å; Y708-S718 WeakPolarHBondContact CA-O 3.46Å; Y708-R719 HydrophobicContact CD1-CB 4.14Å; Y708-R719 HydrophobicContact CE1-CB 3.63Å; Y708-R719 HydrophobicContact CE1-CG 4.24Å; Y708-R719 HydrophobicContact CE2-CB 4.3Å; Y708-R719 HydrophobicContact CE2-CG 3.98Å; Y708-R719 PolarHBondContact OH-NE 3.39Å; Y708-R719 PolarHBondContact OH-NH2 3.02Å
709	S	96.6	Very high	94.1	Very high	36 Å²	36	39.5 Å²	39.5	25%	0.252	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	143.5	159.1	56.7	0	0	0	0	108.9	L694 S717 S718	L694-S709 WeakPolarHBondContact O-CA 3.41Å; S709-S717 CarbonylContact O-C 3.59Å; S709-S717 WeakPolarHBondContact O-CA 3.47Å; S709-S718 PolarHBondContact N-O 3.47Å; S709-S718 PolarHBondContact O-N 3.24Å; S709-S718 PolarHBondContact OG-O 2.98Å; S709-S718 PolarHBondContact OG-OG 3.31Å
710	V	95.9	Very high	94	Very high	15 Å²	15	43.3 Å²	43.3	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143	-169.4	-173.2	0	0	0	0	109.3	Y689 G693 L694 L696 K716	Y689-V710 HydrophobicContact CD1-CG2 4.44Å; Y689-V710 HydrophobicContact CE1-CG1 4.06Å; Y689-V710 HydrophobicContact CE1-CG2 4.19Å; G693-V710 WeakPolarHBondContact O-CB 3.49Å; L694-V710 PolarHBondContact O-N 3.06Å; L696-V710 HydrophobicContact CB-CG2 3.71Å; V710-K716 WeakPolarHBondContact CA-O 3.46Å
711	S	93	Very high	94	Very high	32 Å²	32	44.2 Å²	44.2	22%	0.224	24%	0.243	C	C	.	.			trans	-72.2	158.3	171.9	48.2	0	0	0	0	112.1	D713 G714 K716	S711-D713 VanDerWaalsContact CB-OD1 3.24Å; S711-D713 WeakPolarHBondContact CB-OD1 3.27Å; S711-D713 PolarHBondContact O-N 3.35Å; S711-D713 PolarHBondContact OG-OD1 2.61Å; S711-G714 WeakPolarHBondContact O-CA 3.5Å; S711-G714 PolarHBondContact O-N 3.25Å; S711-K716 PolarHBondContact N-O 3.49Å; S711-K716 WeakPolarHBondContact OG-CB 3.21Å; S711-K716 PolarHBondContact OG-N 3.16Å; S711-K716 PolarHBondContact OG-O 3.16Å
712	S	85.6	Confident	93.9	Very high	110 Å²	110	46.9 Å²	46.9	77%	0.769	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.4	-176.3	54.8	0	0	0	0	115.5
713	D	83.8	Confident	93.9	Very high	70 Å²	70	45 Å²	45	37%	0.374	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.9	172.7	54.8	14.5	0	0	0	112.9	S711 A715	S711-D713 VanDerWaalsContact CB-OD1 3.24Å; S711-D713 WeakPolarHBondContact CB-OD1 3.27Å; S711-D713 PolarHBondContact O-N 3.35Å; S711-D713 PolarHBondContact OG-OD1 2.61Å; D713-A715 HydrophobicContact CB-CB 4.45Å; D713-A715 PolarHBondContact O-N 3Å; D713-A715 WeakPolarHBondContact OD1-CB 3.46Å; D713-A715 PolarHBondContact OD1-N 3.26Å
714	G	84.3	Confident	93.9	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.01	26%	0.256	C	S	.	.	S	Bend	trans	75.5	-12.1	-174.1	0	0	0	0	0	114.7	S711	S711-G714 WeakPolarHBondContact O-CA 3.5Å; S711-G714 PolarHBondContact O-N 3.25Å
715	A	83.1	Confident	93.8	Very high	17 Å²	17	49.5 Å²	49.5	14%	0.14	27%	0.272	C	S	.	.			trans	-80	-33.9	-161.9	0	0	0	0	0	114.6	V674 D713	V674-A715 HydrophobicContact CG1-CB 3.88Å; D713-A715 HydrophobicContact CB-CB 4.45Å; D713-A715 PolarHBondContact O-N 3Å; D713-A715 WeakPolarHBondContact OD1-CB 3.46Å; D713-A715 PolarHBondContact OD1-N 3.26Å
716	K	88.6	Confident	93.8	Very high	148 Å²	148	50.1 Å²	50.1	64%	0.643	28%	0.275	S	S	*	.			trans	-113.9	127.1	-173.9	-59.9	162.1	-174.1	144.2	0	110.1	V710 S711	V710-K716 WeakPolarHBondContact CA-O 3.46Å; S711-K716 PolarHBondContact N-O 3.49Å; S711-K716 WeakPolarHBondContact OG-CB 3.21Å; S711-K716 PolarHBondContact OG-N 3.16Å; S711-K716 PolarHBondContact OG-O 3.16Å
717	S	92.2	Very high	93.7	Very high	29 Å²	29	53 Å²	53	20%	0.203	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.8	-176	58	0	0	0	0	111	W663 S675 S709	W663-S717 WeakPolarHBondContact CH2-OG 3.37Å; S675-S717 PolarHBondContact OG-OG 3.17Å; S709-S717 CarbonylContact O-C 3.59Å; S709-S717 WeakPolarHBondContact O-CA 3.47Å
718	S	94.4	Very high	93.6	Very high	73 Å²	73	54.1 Å²	54.1	51%	0.51	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.7	171.5	78	0	0	0	0	111.1	Y708 S709 F720	Y708-S718 CarbonylContact C-O 3.57Å; Y708-S718 VanDerWaalsContact CA-O 3.32Å; Y708-S718 WeakPolarHBondContact CA-O 3.46Å; S709-S718 PolarHBondContact N-O 3.47Å; S709-S718 PolarHBondContact O-N 3.24Å; S709-S718 PolarHBondContact OG-O 2.98Å; S709-S718 PolarHBondContact OG-OG 3.31Å; S718-F720 PolarHBondContact O-N 3.1Å; S718-F720 VanDerWaalsContact O-N 3.07Å
719	R	95.7	Very high	93.6	Very high	129 Å²	129	57.4 Å²	57.4	49%	0.487	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	110.8	-171.3	-165.7	-175.3	-72.8	106.3	-7.5	110.1	D679 Y708	D679-R719 IonicContact OD1-CZ 2.8Å; D679-R719 IonicContact OD1-NE 3.36Å; D679-R719 PolarHBondContact OD1-NE 2.79Å; D679-R719 IonicContact OD1-NH2 3.63Å; D679-R719 PolarHBondContact OD1-NH2 3.35Å; D679-R719 IonicContact OD2-NH2 2.7Å; Y708-R719 HydrophobicContact CD1-CB 4.14Å; Y708-R719 HydrophobicContact CE1-CB 3.63Å; Y708-R719 HydrophobicContact CE1-CG 4.24Å; Y708-R719 HydrophobicContact CE2-CB 4.3Å; Y708-R719 HydrophobicContact CE2-CG 3.98Å; Y708-R719 PolarHBondContact OH-NE 3.39Å; Y708-R719 PolarHBondContact OH-NH2 3.02Å
720	F	96.6	Very high	93.7	Very high	81 Å²	81	55.7 Å²	55.7	36%	0.355	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-38.5	-176.5	172.3	-97.3	0	0	0	112.1	Y695 I707 S718 V756	Y695-F720 HydrophobicContact CD1-CD1 4.31Å; Y695-F720 HydrophobicContact CD1-CG 4.4Å; Y695-F720 AromaticContact CE1-CD1 3.81Å; Y695-F720 HydrophobicContact CE1-CD1 3.81Å; Y695-F720 AromaticContact CE1-CD2 3.94Å; Y695-F720 HydrophobicContact CE1-CD2 3.94Å; Y695-F720 AromaticContact CE1-CE1 3.89Å; Y695-F720 HydrophobicContact CE1-CE1 3.89Å; Y695-F720 HydrophobicContact CE1-CE2 4.01Å; Y695-F720 AromaticContact CE1-CG 3.83Å; Y695-F720 HydrophobicContact CE1-CG 3.83Å; Y695-F720 AromaticContact CE1-CZ 3.98Å; Y695-F720 HydrophobicContact CE1-CZ 3.98Å; I707-F720 HydrophobicContact CB-CD1 4.33Å; I707-F720 HydrophobicContact CG2-CB 4.4Å; I707-F720 HydrophobicContact CG2-CD1 3.82Å; I707-F720 PolarHBondContact O-N 3.16Å; S718-F720 PolarHBondContact O-N 3.1Å; S718-F720 VanDerWaalsContact O-N 3.07Å; F720-V756 HydrophobicContact CD1-CG1 4.32Å; F720-V756 HydrophobicContact CE1-CG1 3.87Å; F720-V756 WeakPolarHBondContact CE1-O 3.47Å
721	G	97	Very high	93.8	Very high	19 Å²	19	56.7 Å²	56.7	20%	0.196	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-172	179.5	0	0	0	0	0	114.7	I707	I707-G721 PolarHBondContact N-O 2.87Å; I707-G721 PolarHBondContact O-N 2.97Å
722	R	97.6	Very high	94.1	Very high	104 Å²	104	56.2 Å²	56.2	39%	0.392	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	124.1	178.1	-64.4	175.9	78.2	-151.2	7.4	109.4	V704 I705 Y706 M724	V704-R722 HydrophobicContact CG1-CB 3.92Å; V704-R722 HydrophobicContact CG1-CG 4.36Å; I705-R722 CarbonylContact O-C 3.48Å; I705-R722 WeakPolarHBondContact O-CA 3.33Å; Y706-R722 HydrophobicContact CD1-CG 3.86Å; Y706-R722 HydrophobicContact CE1-CG 4.24Å; Y706-R722 PolarHBondContact OH-NH2 2.7Å; R722-M724 HydrophobicContact CB-CG 4.27Å
723	C	98.2	Very high	94.7	Very high	1 Å²	1	51 Å²	51	1%	0.007	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	115.6	170.5	-64.2	0	0	0	0	109.1	V704 I705 W754	V704-C723 WeakPolarHBondContact CG1-O 3.45Å; I705-C723 HydrophobicContact CB-CB 4.05Å; I705-C723 HydrophobicContact CD1-CB 4.19Å; I705-C723 PolarHBondContact N-O 2.87Å; I705-C723 VanDerWaalsContact N-O 3.13Å; I705-C723 PolarHBondContact O-N 2.93Å; C723-W754 HydrophobicContact CB-CD2 3.55Å; C723-W754 HydrophobicContact CB-CE3 3.43Å; C723-W754 VanDerWaalsContact CB-CE3 3.43Å; C723-W754 HydrophobicContact CB-CG 4.06Å; C723-W754 HydrophobicContact CB-CH2 4.24Å; C723-W754 HydrophobicContact CB-CZ2 4.35Å; C723-W754 HydrophobicContact CB-CZ3 3.78Å
724	M	97.2	Very high	95.4	Very high	115 Å²	115	47.7 Å²	47.7	57%	0.567	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.9	-176.6	-60.2	-178.6	-65.8	0	0	110.1	V704 R722 W754	V704-M724 HydrophobicContact CG1-CG 3.89Å; V704-M724 HydrophobicContact CG2-CG 4.05Å; R722-M724 HydrophobicContact CB-CG 4.27Å; M724-W754 WeakPolarHBondContact O-CZ3 3.43Å
725	G	96.3	Very high	96.1	Very high	42 Å²	42	47.9 Å²	47.9	43%	0.433	25%	0.254	S	S	.	.			trans	155.8	-9.4	178.9	0	0	0	0	0	116.5
726	H	97.9	Very high	96.8	Very high	13 Å²	13	47.1 Å²	47.1	6%	0.06	25%	0.248	C	C	.	.			trans	-71.7	143.7	170.8	-91.1	-61.6	0	0	0	111.9	N703 I730 S744 S746 L752 W754	N703-H726 HydrophobicContact CB-CB 4.49Å; H726-I730 HydrophobicContact CB-CD1 4.22Å; H726-I730 WeakPolarHBondContact CD2-CD1 3.37Å; H726-S744 PolarHBondContact NE2-OG 2.93Å; H726-S746 WeakPolarHBondContact ND1-CB 3.19Å; H726-L752 HydrophobicContact CB-CD1 4.4Å; H726-W754 AromaticContact CD2-CZ2 3.96Å
727	S	96.9	Very high	97.2	Very high	72 Å²	72	44.1 Å²	44.1	50%	0.503	24%	0.235	S	C	.	.	S	Bend	trans	-83.9	-13	175	19.1	0	0	0	0	114.4	N703 D748	N703-S727 PolarHBondContact ND2-O 3.27Å; N703-S727 VanDerWaalsContact ND2-O 3.13Å; S727-D748 PolarHBondContact OG-OD2 3.49Å
728	S	97.5	Very high	97.4	Very high	23 Å²	23	46.7 Å²	46.7	16%	0.161	25%	0.246	C	C	.	.	S	Bend	trans	-142.2	174.3	-178.7	-161.8	0	0	0	0	111.9	N703 D748	N703-S728 WeakPolarHBondContact CB-O 3.5Å; N703-S728 VanDerWaalsContact CG-O 3.32Å; N703-S728 PolarHBondContact ND2-N 3.29Å; N703-S728 WeakPolarHBondContact OD1-CA 3.41Å; N703-S728 PolarHBondContact OD1-O 3.35Å; S728-D748 WeakPolarHBondContact CB-OD1 3.49Å
729	F	97.9	Very high	97.5	Very high	76 Å²	76	43.3 Å²	43.3	33%	0.333	22%	0.223	S	C	.	.			trans	-56.5	143	-178.2	53.2	-90.5	0	0	0	111.8	H701 N703 T731 S746 G747	H701-F729 HydrophobicContact CB-CB 3.94Å; H701-F729 AromaticContact CE1-CD2 3.37Å; H701-F729 WeakPolarHBondContact CE1-CD2 3.44Å; H701-F729 AromaticContact CE1-CE2 3.92Å; H701-F729 AromaticContact CE1-CG 3.66Å; H701-F729 AromaticContact ND1-CD2 3.86Å; H701-F729 AromaticContact ND1-CG 3.64Å; H701-F729 AromaticContact NE2-CD2 3.72Å; N703-F729 PolarHBondContact OD1-N 3.13Å; N703-F729 VanDerWaalsContact OD1-N 3.09Å; F729-T731 HydrophobicContact CD2-CG2 3.8Å; F729-T731 HydrophobicContact CE2-CG2 3.66Å; F729-S746 CarbonylContact O-C 3.54Å; F729-S746 WeakPolarHBondContact O-CA 3.33Å; F729-S746 WeakPolarHBondContact O-CB 3.32Å; F729-G747 PolarHBondContact O-N 2.99Å
730	I	98.6	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.2	175.2	-51.9	-56.8	0	0	0	109.1	S685 V686 S700 I705 H726 L733	S685-I730 VanDerWaalsContact CB-O 3.31Å; S685-I730 WeakPolarHBondContact CB-O 3.44Å; S685-I730 PolarHBondContact OG-O 3.15Å; V686-I730 HydrophobicContact CG1-CG2 4.28Å; S700-I730 WeakPolarHBondContact O-CG1 3.24Å; S700-I730 PolarHBondContact O-N 2.69Å; I705-I730 HydrophobicContact CD1-CD1 4.27Å; I705-I730 HydrophobicContact CG1-CD1 3.75Å; I705-I730 HydrophobicContact CG1-CG1 3.88Å; I705-I730 HydrophobicContact CG1-CG2 4.41Å; H726-I730 HydrophobicContact CB-CD1 4.22Å; H726-I730 WeakPolarHBondContact CD2-CD1 3.37Å; I730-L733 HydrophobicContact CG2-CD2 3.89Å; I730-L733 HydrophobicContact CG2-CG 4.06Å
731	T	98.1	Very high	97.6	Very high	35 Å²	35	37.8 Å²	37.8	22%	0.215	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-41.8	175.2	52.5	0	0	0	0	113	F729 N745	F729-T731 HydrophobicContact CD2-CG2 3.8Å; F729-T731 HydrophobicContact CE2-CG2 3.66Å; T731-N745 PolarHBondContact N-O 2.72Å; T731-N745 VanDerWaalsContact OG1-C 3.32Å; T731-N745 WeakPolarHBondContact OG1-CB 3.23Å; T731-N745 PolarHBondContact OG1-O 3.28Å
732	H	98.6	Very high	97.7	Very high	22 Å²	22	37 Å²	37	10%	0.102	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.8	-177.2	-47.5	-73.3	0	0	0	112	S744 N745 C779 V780 N799	H732-S744 WeakPolarHBondContact O-CA 3.47Å; H732-N745 HydrophobicContact CB-CB 4.27Å; H732-N745 PolarHBondContact O-N 3.24Å; H732-C779 HydrophobicContact CB-CB 4.31Å; H732-V780 WeakPolarHBondContact NE2-CG2 3.44Å; H732-N799 PolarHBondContact CE1-O 3.29Å
733	L	98.3	Very high	97.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	133.6	177.3	-62.4	178.5	0	0	0	110.7	V686 R688 A697 I705 I730 I742 M743 T778	V686-L733 HydrophobicContact CG1-CB 4.16Å; V686-L733 HydrophobicContact CG1-CD1 3.78Å; V686-L733 HydrophobicContact CG1-CG 3.63Å; R688-L733 HydrophobicContact CG-CB 3.98Å; R688-L733 PolarHBondContact NE-O 2.95Å; A697-L733 HydrophobicContact CB-CD1 4.15Å; I705-L733 HydrophobicContact CD1-CD2 3.49Å; I705-L733 VanDerWaalsContact CD1-CD2 3.49Å; I705-L733 HydrophobicContact CG1-CD1 4.44Å; I705-L733 HydrophobicContact CG1-CD2 3.88Å; I705-L733 HydrophobicContact CG2-CD1 3.59Å; I705-L733 HydrophobicContact CG2-CD2 4.29Å; I730-L733 HydrophobicContact CG2-CD2 3.89Å; I730-L733 HydrophobicContact CG2-CG 4.06Å; L733-I742 HydrophobicContact CD2-CG2 3.89Å; L733-M743 WeakPolarHBondContact CA-O 3.43Å; L733-T778 PolarHBondContact O-OG1 3.4Å
734	D	98.8	Very high	97.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137	167	-62.6	-56.3	0	0	0	110.8	R688 I742 M743 T776 Y777 T778 C779	R688-D734 IonicContact CZ-OD1 3.88Å; R688-D734 IonicContact NH2-OD1 3.23Å; R688-D734 PolarHBondContact NH2-OD1 3.01Å; D734-I742 WeakPolarHBondContact O-CA 3.3Å; D734-M743 HydrophobicContact CB-CE 4.36Å; D734-M743 PolarHBondContact N-O 3.12Å; D734-M743 PolarHBondContact O-N 2.82Å; D734-T776 WeakPolarHBondContact CB-O 3.46Å; D734-T776 PolarHBondContact OD1-OG1 2.9Å; D734-Y777 WeakPolarHBondContact OD2-CA 3.26Å; D734-T778 WeakPolarHBondContact OD1-CB 3.14Å; D734-T778 PolarHBondContact OD1-N 3.12Å; D734-T778 PolarHBondContact OD1-OG1 2.94Å; D734-T778 PolarHBondContact OD2-N 2.85Å; D734-C779 WeakPolarHBondContact OD2-CB 3.45Å; D734-C779 PolarHBondContact OD2-N 3.33Å; D734-C779 PolarHBondContact OD2-SG 3.09Å
735	W	98.7	Very high	97.8	Very high	5 Å²	5	26.7 Å²	26.7	2%	0.019	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	151.4	173.5	-70.4	98.8	0	0	0	111.7	R688 Y689 P691 Y695 A697 G739 F741 I742 V756 A775	R688-W735 PolarHBondContact O-NE1 3.12Å; R688-W735 VanDerWaalsContact O-NE1 3.08Å; Y689-W735 PolarHBondContact O-NE1 2.78Å; P691-W735 HydrophobicContact CG-CB 4.28Å; Y695-W735 VanDerWaalsContact CB-CH2 3.42Å; Y695-W735 HydrophobicContact CD2-CH2 4.4Å; Y695-W735 HydrophobicContact CG-CH2 4.03Å; A697-W735 HydrophobicContact CB-CZ2 3.6Å; W735-G739 VanDerWaalsContact CE3-O 3.27Å; W735-G739 WeakPolarHBondContact CZ3-O 3.39Å; W735-F741 CarbonylContact C-O 3.49Å; W735-F741 WeakPolarHBondContact CA-O 3.47Å; W735-I742 HydrophobicContact CD2-CD1 4.17Å; W735-I742 HydrophobicContact CD2-CG1 3.72Å; W735-I742 HydrophobicContact CE3-CD1 4.07Å; W735-I742 HydrophobicContact CE3-CG1 3.5Å; W735-I742 VanDerWaalsContact CE3-CG1 3.5Å; W735-I742 HydrophobicContact CG-CG1 4.44Å; W735-I742 HydrophobicContact CH2-CD1 3.79Å; W735-I742 HydrophobicContact CH2-CG1 4.17Å; W735-I742 HydrophobicContact CZ2-CD1 3.88Å; W735-I742 HydrophobicContact CZ2-CG1 4.35Å; W735-I742 HydrophobicContact CZ3-CD1 3.88Å; W735-I742 HydrophobicContact CZ3-CG1 3.74Å; W735-V756 HydrophobicContact CH2-CG1 4.12Å; W735-V756 HydrophobicContact CH2-CG2 4.15Å; W735-V756 HydrophobicContact CZ3-CB 4.08Å; W735-V756 HydrophobicContact CZ3-CG1 4.14Å; W735-V756 HydrophobicContact CZ3-CG2 3.75Å; W735-A775 WeakPolarHBondContact O-CB 3.42Å; W735-A775 PolarHBondContact O-N 2.93Å
736	S	98.3	Very high	97.9	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.014	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-70.4	157	167.5	55.7	0	0	0	0	111.9	D738 G739 F741 E773	S736-D738 WeakPolarHBondContact CB-OD1 3.48Å; S736-D738 PolarHBondContact O-N 2.94Å; S736-D738 VanDerWaalsContact O-N 3.13Å; S736-D738 PolarHBondContact OG-OD1 3.02Å; S736-G739 PolarHBondContact O-N 2.88Å; S736-F741 PolarHBondContact N-O 3.36Å; S736-F741 WeakPolarHBondContact OG-CA 3.4Å; S736-F741 WeakPolarHBondContact OG-CB 3.49Å; S736-F741 PolarHBondContact OG-N 3.43Å; S736-F741 PolarHBondContact OG-O 3.17Å; S736-E773 CarbonylContact C-O 3.56Å; S736-E773 VanDerWaalsContact CA-O 3.3Å; S736-E773 WeakPolarHBondContact CA-O 3.49Å; S736-E773 WeakPolarHBondContact CB-O 3.45Å
737	K	97.1	Very high	97.8	Very high	85 Å²	85	25.2 Å²	25.2	37%	0.37	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.3	-179.8	-72.8	-172.5	-174.1	173.3	0	113.9	E773 W774 A775 E807	K737-E773 HydrophobicContact CB-CB 4.33Å; K737-E773 HydrophobicContact CD-CB 3.76Å; K737-E773 HydrophobicContact CD-CG 4.5Å; K737-E773 WeakPolarHBondContact CD-OE1 3.42Å; K737-E773 WeakPolarHBondContact CE-OE1 3.39Å; K737-E773 HydrophobicContact CG-CB 4Å; K737-E773 PolarHBondContact N-O 2.69Å; K737-E773 IonicContact NZ-OE1 2.83Å; K737-E773 PolarHBondContact NZ-OE1 3.12Å; K737-W774 WeakPolarHBondContact CE-O 3.42Å; K737-A775 HydrophobicContact CG-CB 4.25Å; K737-E807 VanDerWaalsContact CE-OE1 3.29Å; K737-E807 WeakPolarHBondContact CE-OE1 3.42Å; K737-E807 IonicContact NZ-OE1 3.69Å; K737-E807 PolarHBondContact NZ-OE1 3.23Å; K737-E807 IonicContact NZ-OE2 2.68Å
738	D	96.3	Very high	97.6	Very high	82 Å²	82	23.1 Å²	23.1	44%	0.439	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	4.4	178	71.4	-26.9	0	0	0	114.1	S736 N740	S736-D738 WeakPolarHBondContact CB-OD1 3.48Å; S736-D738 PolarHBondContact O-N 2.94Å; S736-D738 VanDerWaalsContact O-N 3.13Å; S736-D738 PolarHBondContact OG-OD1 3.02Å; D738-N740 VanDerWaalsContact CG-ND2 3.33Å; D738-N740 PolarHBondContact O-N 3.48Å; D738-N740 PolarHBondContact O-ND2 3.46Å; D738-N740 PolarHBondContact OD1-N 3.23Å; D738-N740 PolarHBondContact OD2-ND2 3.36Å
739	G	96.4	Very high	97.5	Very high	2 Å²	2	23.3 Å²	23.3	2%	0.021	12%	0.12	C	C	.	.	S	Bend	trans	70.4	-8.5	179.4	0	0	0	0	0	116	W735 S736	W735-G739 VanDerWaalsContact CE3-O 3.27Å; W735-G739 WeakPolarHBondContact CZ3-O 3.39Å; S736-G739 PolarHBondContact O-N 2.88Å
740	N	96.6	Very high	97.3	Very high	60 Å²	60	21.7 Å²	21.7	32%	0.321	11%	0.113	S	C	.	.	S	Bend	trans	-82	-22.4	-171.3	-66.4	-56.2	0	0	0	114.5	D738 V756 A757	D738-N740 VanDerWaalsContact CG-ND2 3.33Å; D738-N740 PolarHBondContact O-N 3.48Å; D738-N740 PolarHBondContact O-ND2 3.46Å; D738-N740 PolarHBondContact OD1-N 3.23Å; D738-N740 PolarHBondContact OD2-ND2 3.36Å; N740-V756 WeakPolarHBondContact O-CB 3.24Å; N740-V756 PolarHBondContact O-N 3.21Å; N740-A757 HydrophobicContact CB-CB 4.23Å; N740-A757 WeakPolarHBondContact OD1-CB 3.21Å
741	F	98.3	Very high	97.3	Very high	35 Å²	35	21.8 Å²	21.8	15%	0.154	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	152.6	-171.9	-53.8	-82.3	0	0	0	113	W735 S736 W754 D755 L763 R772 W774	W735-F741 CarbonylContact C-O 3.49Å; W735-F741 WeakPolarHBondContact CA-O 3.47Å; S736-F741 PolarHBondContact N-O 3.36Å; S736-F741 WeakPolarHBondContact OG-CA 3.4Å; S736-F741 WeakPolarHBondContact OG-CB 3.49Å; S736-F741 PolarHBondContact OG-N 3.43Å; S736-F741 PolarHBondContact OG-O 3.17Å; F741-W754 WeakPolarHBondContact CA-O 3.4Å; F741-W754 WeakPolarHBondContact CB-O 3.48Å; F741-W754 WeakPolarHBondContact CD1-O 3.28Å; F741-D755 HydrophobicContact CD1-CB 4.09Å; F741-D755 HydrophobicContact CE1-CB 3.89Å; F741-L763 HydrophobicContact CD1-CD1 3.82Å; F741-L763 HydrophobicContact CE1-CD1 4.07Å; F741-R772 VanDerWaalsContact CG-NE 3.26Å; F741-W774 HydrophobicContact CB-CH2 4.18Å; F741-W774 HydrophobicContact CB-CZ3 4.29Å
742	I	98.6	Very high	97.3	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135	172.5	-67.4	173.1	0	0	0	109.6	A697 I707 L733 D734 W735 Y753 W754 V756	A697-I742 HydrophobicContact CB-CD1 3.71Å; I707-I742 HydrophobicContact CD1-CD1 3.56Å; L733-I742 HydrophobicContact CD2-CG2 3.89Å; D734-I742 WeakPolarHBondContact O-CA 3.3Å; W735-I742 HydrophobicContact CD2-CD1 4.17Å; W735-I742 HydrophobicContact CD2-CG1 3.72Å; W735-I742 HydrophobicContact CE3-CD1 4.07Å; W735-I742 HydrophobicContact CE3-CG1 3.5Å; W735-I742 VanDerWaalsContact CE3-CG1 3.5Å; W735-I742 HydrophobicContact CG-CG1 4.44Å; W735-I742 HydrophobicContact CH2-CD1 3.79Å; W735-I742 HydrophobicContact CH2-CG1 4.17Å; W735-I742 HydrophobicContact CZ2-CD1 3.88Å; W735-I742 HydrophobicContact CZ2-CG1 4.35Å; W735-I742 HydrophobicContact CZ3-CD1 3.88Å; W735-I742 HydrophobicContact CZ3-CG1 3.74Å; I742-Y753 CarbonylContact O-C 3.58Å; I742-Y753 VanDerWaalsContact O-CA 3.28Å; I742-Y753 WeakPolarHBondContact O-CA 3.44Å; I742-W754 HydrophobicContact CB-CB 4.34Å; I742-W754 PolarHBondContact N-O 3.07Å; I742-W754 PolarHBondContact O-N 2.88Å; I742-V756 HydrophobicContact CD1-CG2 3.67Å; I742-V756 HydrophobicContact CG1-CG2 3.82Å
743	M	98.6	Very high	97.3	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.02	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	139.7	158.6	176.1	171.8	55.2	0	0	108.3	L733 D734 I751 Y753 W774 Y777 C779	L733-M743 WeakPolarHBondContact CA-O 3.43Å; D734-M743 HydrophobicContact CB-CE 4.36Å; D734-M743 PolarHBondContact N-O 3.12Å; D734-M743 PolarHBondContact O-N 2.82Å; M743-I751 HydrophobicContact CG-CG2 4.24Å; M743-I751 HydrophobicContact SD-CG2 4.4Å; M743-Y753 HydrophobicContact CB-CD1 3.9Å; M743-Y753 HydrophobicContact CB-CE1 3.89Å; M743-Y753 HydrophobicContact CG-CD1 4.08Å; M743-Y753 HydrophobicContact CG-CE1 3.68Å; M743-Y753 HydrophobicContact SD-CE1 3.87Å; M743-W774 HydrophobicContact CB-CD2 4.04Å; M743-W774 HydrophobicContact CB-CE3 3.78Å; M743-W774 HydrophobicContact CB-CH2 3.75Å; M743-W774 HydrophobicContact CB-CZ2 3.97Å; M743-W774 HydrophobicContact CB-CZ3 3.65Å; M743-W774 HydrophobicContact CE-CD2 4.12Å; M743-W774 HydrophobicContact CE-CG 4.06Å; M743-Y777 HydrophobicContact CE-CD1 4.25Å; M743-Y777 HydrophobicContact CE-CE1 4.18Å; M743-C779 HydrophobicContact CE-CB 3.85Å; M743-C779 HydrophobicContact SD-CB 4.45Å
744	S	98.6	Very high	97.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	148.1	-179.3	61.5	0	0	0	0	112.5	H726 H732 I751 L752 W754	H726-S744 PolarHBondContact NE2-OG 2.93Å; H732-S744 WeakPolarHBondContact O-CA 3.47Å; S744-I751 WeakPolarHBondContact O-CA 3.47Å; S744-L752 PolarHBondContact N-O 3.24Å; S744-L752 PolarHBondContact O-N 3.44Å; S744-L752 VanDerWaalsContact O-N 3.13Å; S744-L752 PolarHBondContact OG-O 2.87Å; S744-L752 VanDerWaalsContact OG-O 3.12Å; S744-W754 PolarHBondContact OG-NE1 3.43Å
745	N	98.3	Very high	97.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	154.4	172.7	-65	171.2	0	0	0	110.8	T731 H732 E750 C779 V780 L781	T731-N745 PolarHBondContact N-O 2.72Å; T731-N745 VanDerWaalsContact OG1-C 3.32Å; T731-N745 WeakPolarHBondContact OG1-CB 3.23Å; T731-N745 PolarHBondContact OG1-O 3.28Å; H732-N745 HydrophobicContact CB-CB 4.27Å; H732-N745 PolarHBondContact O-N 3.24Å; N745-E750 WeakPolarHBondContact CA-O 3.47Å; N745-C779 VanDerWaalsContact OD1-CA 3.28Å; N745-C779 WeakPolarHBondContact OD1-CA 3.28Å; N745-C779 VanDerWaalsContact OD1-CB 3.24Å; N745-C779 WeakPolarHBondContact OD1-CB 3.43Å; N745-V780 PolarHBondContact OD1-N 3.15Å; N745-V780 VanDerWaalsContact OD1-N 3.11Å; N745-L781 PolarHBondContact ND2-O 2.93Å; N745-L781 VanDerWaalsContact ND2-O 3.15Å; N745-L781 PolarHBondContact OD1-N 3.25Å
746	S	97.5	Very high	97.2	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	163.4	179	65.1	0	0	0	0	113.3	H726 F729 D748 Y749 E750	H726-S746 WeakPolarHBondContact ND1-CB 3.19Å; F729-S746 CarbonylContact O-C 3.54Å; F729-S746 WeakPolarHBondContact O-CA 3.33Å; F729-S746 WeakPolarHBondContact O-CB 3.32Å; S746-D748 WeakPolarHBondContact CB-OD1 3.24Å; S746-D748 PolarHBondContact O-N 2.86Å; S746-D748 VanDerWaalsContact O-N 3.12Å; S746-D748 PolarHBondContact OG-OD1 2.92Å; S746-Y749 PolarHBondContact O-N 3.38Å; S746-E750 PolarHBondContact N-O 2.92Å; S746-E750 PolarHBondContact OG-N 3.13Å; S746-E750 VanDerWaalsContact OG-N 3.12Å
747	G	95.9	Very high	96.8	Very high	22 Å²	22	24.7 Å²	24.7	23%	0.227	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-4.9	174.2	0	0	0	0	0	115.9	F729	F729-G747 PolarHBondContact O-N 2.99Å
748	D	93.5	Very high	96.6	Very high	28 Å²	28	21.9 Å²	21.9	15%	0.15	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	12.7	168.9	73.9	-48	0	0	0	113.4	R224 S727 S728 S746	R224-D748 WeakPolarHBondContact CD-O 3.28Å; R224-D748 IonicContact CZ-OD2 3.69Å; R224-D748 PolarHBondContact NH1-O 2.91Å; R224-D748 IonicContact NH1-OD2 2.72Å; R224-D748 PolarHBondContact NH1-OD2 3.47Å; R224-D748 IonicContact NH2-OD2 3.78Å; S727-D748 PolarHBondContact OG-OD2 3.49Å; S728-D748 WeakPolarHBondContact CB-OD1 3.49Å; S746-D748 WeakPolarHBondContact CB-OD1 3.24Å; S746-D748 PolarHBondContact O-N 2.86Å; S746-D748 VanDerWaalsContact O-N 3.12Å; S746-D748 PolarHBondContact OG-OD1 2.92Å
749	Y	94.9	Very high	96.4	Very high	27 Å²	27	20.2 Å²	20.2	11%	0.106	13%	0.131	C	C	.	.			trans	69.8	30.4	175	-34	-61.5	0	0	0	115.3	L221 R222 I226 S746 D794 G795	L221-Y749 HydrophobicContact CB-CD2 4.41Å; L221-Y749 HydrophobicContact CD1-CD1 4.2Å; L221-Y749 HydrophobicContact CD1-CG 4.39Å; R222-Y749 PolarHBondContact NH1-OH 3.28Å; I226-Y749 HydrophobicContact CD1-CG 4.47Å; S746-Y749 PolarHBondContact O-N 3.38Å; Y749-D794 PolarHBondContact OH-O 2.9Å; Y749-G795 WeakPolarHBondContact CE1-O 3.46Å
750	E	94.3	Very high	96.4	Very high	41 Å²	41	20.6 Å²	20.6	19%	0.192	13%	0.134	C	C	.	.			trans	-85.8	136.2	172.8	-58.2	-150.3	149.9	0	0	111.7	R224 N745 S746	R224-E750 IonicContact CZ-OE1 3.48Å; R224-E750 IonicContact NH2-OE1 2.93Å; R224-E750 PolarHBondContact NH2-OE1 3.01Å; N745-E750 WeakPolarHBondContact CA-O 3.47Å; S746-E750 PolarHBondContact N-O 2.92Å; S746-E750 PolarHBondContact OG-N 3.13Å; S746-E750 VanDerWaalsContact OG-N 3.12Å
751	I	97.4	Very high	96.4	Very high	3 Å²	3	24 Å²	24	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.9	164	-51.8	170.8	0	0	0	106.3	I226 M228 M743 S744 Y753 R766 L781	I226-I751 HydrophobicContact CG2-CD1 4Å; I226-I751 HydrophobicContact CG2-CG1 4.45Å; M228-I751 HydrophobicContact CG-CD1 3.63Å; M228-I751 HydrophobicContact SD-CD1 4.15Å; M743-I751 HydrophobicContact CG-CG2 4.24Å; M743-I751 HydrophobicContact SD-CG2 4.4Å; S744-I751 WeakPolarHBondContact O-CA 3.47Å; I751-Y753 HydrophobicContact CG2-CE1 4.2Å; I751-Y753 HydrophobicContact CG2-CE2 4.13Å; I751-R766 WeakPolarHBondContact O-CD 3.38Å; I751-R766 PolarHBondContact O-NH1 2.9Å; I751-L781 HydrophobicContact CD1-CB 3.92Å; I751-L781 WeakPolarHBondContact CD1-O 3.47Å; I751-L781 HydrophobicContact CG1-CB 3.72Å
752	L	98.3	Very high	96.4	Very high	12 Å²	12	25.2 Å²	25.2	6%	0.063	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	151.3	173	-67.2	-172.6	0	0	0	110.7	H726 S744 W754	H726-L752 HydrophobicContact CB-CD1 4.4Å; S744-L752 PolarHBondContact N-O 3.24Å; S744-L752 PolarHBondContact O-N 3.44Å; S744-L752 VanDerWaalsContact O-N 3.13Å; S744-L752 PolarHBondContact OG-O 2.87Å; S744-L752 VanDerWaalsContact OG-O 3.12Å; L752-W754 HydrophobicContact CB-CZ2 3.9Å; L752-W754 HydrophobicContact CD1-CH2 4.03Å; L752-W754 HydrophobicContact CD1-CZ2 3.66Å; L752-W754 HydrophobicContact CG-CZ2 4.46Å
753	Y	98.5	Very high	96.3	Very high	23 Å²	23	26.5 Å²	26.5	9%	0.09	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.5	178.5	-55.2	-77.1	0	0	0	110.7	I742 M743 I751 L763 R766 S769 W774	I742-Y753 CarbonylContact O-C 3.58Å; I742-Y753 VanDerWaalsContact O-CA 3.28Å; I742-Y753 WeakPolarHBondContact O-CA 3.44Å; M743-Y753 HydrophobicContact CB-CD1 3.9Å; M743-Y753 HydrophobicContact CB-CE1 3.89Å; M743-Y753 HydrophobicContact CG-CD1 4.08Å; M743-Y753 HydrophobicContact CG-CE1 3.68Å; M743-Y753 HydrophobicContact SD-CE1 3.87Å; I751-Y753 HydrophobicContact CG2-CE1 4.2Å; I751-Y753 HydrophobicContact CG2-CE2 4.13Å; Y753-L763 PolarHBondContact O-N 2.82Å; Y753-R766 HydrophobicContact CD2-CB 4.17Å; Y753-R766 HydrophobicContact CD2-CG 4.03Å; Y753-R766 HydrophobicContact CE2-CB 3.97Å; Y753-R766 HydrophobicContact CE2-CG 4.14Å; Y753-S769 WeakPolarHBondContact CB-OG 3.41Å; Y753-S769 VanDerWaalsContact CD2-CB 3.48Å; Y753-S769 WeakPolarHBondContact CD2-OG 3.31Å; Y753-S769 VanDerWaalsContact CG-OG 3.23Å; Y753-W774 AromaticContact CD1-CH2 3.74Å; Y753-W774 HydrophobicContact CD1-CH2 3.74Å; Y753-W774 AromaticContact CD1-CZ2 3.6Å; Y753-W774 HydrophobicContact CD1-CZ2 3.6Å; Y753-W774 HydrophobicContact CE1-CH2 4.19Å; Y753-W774 AromaticContact CE1-CZ2 3.6Å; Y753-W774 HydrophobicContact CE1-CZ2 3.6Å
754	W	98.4	Very high	96	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.8	-173.9	-47.1	90.8	0	0	0	110.7	I705 C723 M724 H726 F741 I742 S744 L752 K761 Q762	I705-W754 HydrophobicContact CD1-CZ2 4.48Å; C723-W754 HydrophobicContact CB-CD2 3.55Å; C723-W754 HydrophobicContact CB-CE3 3.43Å; C723-W754 VanDerWaalsContact CB-CE3 3.43Å; C723-W754 HydrophobicContact CB-CG 4.06Å; C723-W754 HydrophobicContact CB-CH2 4.24Å; C723-W754 HydrophobicContact CB-CZ2 4.35Å; C723-W754 HydrophobicContact CB-CZ3 3.78Å; M724-W754 WeakPolarHBondContact O-CZ3 3.43Å; H726-W754 AromaticContact CD2-CZ2 3.96Å; F741-W754 WeakPolarHBondContact CA-O 3.4Å; F741-W754 WeakPolarHBondContact CB-O 3.48Å; F741-W754 WeakPolarHBondContact CD1-O 3.28Å; I742-W754 HydrophobicContact CB-CB 4.34Å; I742-W754 PolarHBondContact N-O 3.07Å; I742-W754 PolarHBondContact O-N 2.88Å; S744-W754 PolarHBondContact OG-NE1 3.43Å; L752-W754 HydrophobicContact CB-CZ2 3.9Å; L752-W754 HydrophobicContact CD1-CH2 4.03Å; L752-W754 HydrophobicContact CD1-CZ2 3.66Å; L752-W754 HydrophobicContact CG-CZ2 4.46Å; W754-K761 CarbonylContact C-O 3.55Å; W754-K761 WeakPolarHBondContact CA-O 3.43Å; W754-Q762 HydrophobicContact CE3-CB 3.82Å; W754-Q762 HydrophobicContact CE3-CG 4.2Å; W754-Q762 HydrophobicContact CH2-CB 4.24Å; W754-Q762 HydrophobicContact CH2-CG 4.04Å; W754-Q762 HydrophobicContact CZ3-CB 3.51Å; W754-Q762 HydrophobicContact CZ3-CG 3.81Å
755	D	97.5	Very high	95.7	Very high	38 Å²	38	38.2 Å²	38.2	20%	0.203	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	102	167.1	173.5	12.3	0	0	0	107.8	F741 G758 C760 K761 L763	F741-D755 HydrophobicContact CD1-CB 4.09Å; F741-D755 HydrophobicContact CE1-CB 3.89Å; D755-G758 WeakPolarHBondContact OD1-CA 3.46Å; D755-G758 PolarHBondContact OD1-N 3.22Å; D755-G758 WeakPolarHBondContact OD2-CA 3.39Å; D755-C760 CarbonylContact O-C 3.57Å; D755-C760 WeakPolarHBondContact O-CA 3.44Å; D755-C760 PolarHBondContact O-N 3.3Å; D755-K761 PolarHBondContact N-O 2.92Å; D755-K761 PolarHBondContact O-N 2.75Å; D755-L763 HydrophobicContact CB-CD2 4.02Å; D755-L763 HydrophobicContact CB-CG 4.19Å
756	V	96.8	Very high	95.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-77.2	-51.9	-177	178.9	0	0	0	0	109.5	Y695 I707 F720 W735 N740 I742 G758 G759 C760	Y695-V756 HydrophobicContact CD1-CG1 4.43Å; Y695-V756 HydrophobicContact CE1-CG1 4.43Å; I707-V756 HydrophobicContact CG2-CG1 3.86Å; F720-V756 HydrophobicContact CD1-CG1 4.32Å; F720-V756 HydrophobicContact CE1-CG1 3.87Å; F720-V756 WeakPolarHBondContact CE1-O 3.47Å; W735-V756 HydrophobicContact CH2-CG1 4.12Å; W735-V756 HydrophobicContact CH2-CG2 4.15Å; W735-V756 HydrophobicContact CZ3-CB 4.08Å; W735-V756 HydrophobicContact CZ3-CG1 4.14Å; W735-V756 HydrophobicContact CZ3-CG2 3.75Å; N740-V756 WeakPolarHBondContact O-CB 3.24Å; N740-V756 PolarHBondContact O-N 3.21Å; I742-V756 HydrophobicContact CD1-CG2 3.67Å; I742-V756 HydrophobicContact CG1-CG2 3.82Å; V756-G758 VanDerWaalsContact C-N 3.28Å; V756-G758 PolarHBondContact O-N 2.87Å; V756-G759 WeakPolarHBondContact O-CA 3.48Å; V756-G759 PolarHBondContact O-N 2.51Å; V756-C760 PolarHBondContact O-N 3.44Å; V756-C760 VanDerWaalsContact O-N 3.09Å
757	A	91.5	Very high	95.2	Very high	50 Å²	50	45 Å²	45	41%	0.413	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-38.2	179.6	0	0	0	0	0	112.6	N740 G759	N740-A757 HydrophobicContact CB-CB 4.23Å; N740-A757 WeakPolarHBondContact OD1-CB 3.21Å; A757-G759 PolarHBondContact O-N 2.95Å; A757-G759 VanDerWaalsContact O-N 3.17Å
758	G	91.4	Very high	95	Very high	27 Å²	27	49 Å²	49	28%	0.278	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	6.3	172.6	0	0	0	0	0	115.3	D755 V756 K761	D755-G758 WeakPolarHBondContact OD1-CA 3.46Å; D755-G758 PolarHBondContact OD1-N 3.22Å; D755-G758 WeakPolarHBondContact OD2-CA 3.39Å; V756-G758 VanDerWaalsContact C-N 3.28Å; V756-G758 PolarHBondContact O-N 2.87Å; G758-K761 WeakPolarHBondContact O-CD 3.5Å; G758-K761 WeakPolarHBondContact O-CE 3.46Å; G758-K761 PolarHBondContact O-NZ 2.84Å
759	G	93.5	Very high	95	Very high	46 Å²	46	47.8 Å²	47.8	47%	0.474	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.3	46.5	175.5	0	0	0	0	0	114.4	V756 A757 K761	V756-G759 WeakPolarHBondContact O-CA 3.48Å; V756-G759 PolarHBondContact O-N 2.51Å; A757-G759 PolarHBondContact O-N 2.95Å; A757-G759 VanDerWaalsContact O-N 3.17Å; G759-K761 VanDerWaalsContact C-N 3.3Å; G759-K761 PolarHBondContact O-N 2.82Å
760	C	96.6	Very high	95	Very high	11 Å²	11	48.7 Å²	48.7	7%	0.074	25%	0.248	C	C	.	.	S	Bend	trans	57.5	32.8	175.8	-60.4	0	0	0	0	115.2	D755 V756	D755-C760 CarbonylContact O-C 3.57Å; D755-C760 WeakPolarHBondContact O-CA 3.44Å; D755-C760 PolarHBondContact O-N 3.3Å; V756-C760 PolarHBondContact O-N 3.44Å; V756-C760 VanDerWaalsContact O-N 3.09Å
761	K	96.4	Very high	95	Very high	130 Å²	130	50.5 Å²	50.5	57%	0.565	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	138.8	-171.8	-69	171	-175.9	147	0	112.5	W754 D755 G758 G759 L763	W754-K761 CarbonylContact C-O 3.55Å; W754-K761 WeakPolarHBondContact CA-O 3.43Å; D755-K761 PolarHBondContact N-O 2.92Å; D755-K761 PolarHBondContact O-N 2.75Å; G758-K761 WeakPolarHBondContact O-CD 3.5Å; G758-K761 WeakPolarHBondContact O-CE 3.46Å; G758-K761 PolarHBondContact O-NZ 2.84Å; G759-K761 VanDerWaalsContact C-N 3.3Å; G759-K761 PolarHBondContact O-N 2.82Å; K761-L763 PolarHBondContact O-N 2.89Å
762	Q	97.3	Very high	95	Very high	62 Å²	62	52.8 Å²	52.8	29%	0.29	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	121.9	173.4	-165.6	-168.4	26.1	0	0	111.2	W754 K764	W754-Q762 HydrophobicContact CE3-CB 3.82Å; W754-Q762 HydrophobicContact CE3-CG 4.2Å; W754-Q762 HydrophobicContact CH2-CB 4.24Å; W754-Q762 HydrophobicContact CH2-CG 4.04Å; W754-Q762 HydrophobicContact CZ3-CB 3.51Å; W754-Q762 HydrophobicContact CZ3-CG 3.81Å; Q762-K764 PolarHBondContact O-N 3.34Å; Q762-K764 VanDerWaalsContact O-N 3.08Å
763	L	96.3	Very high	94.8	Very high	27 Å²	27	58 Å²	58	14%	0.141	29%	0.292	C	S	.	.			trans	-79	89.9	171.2	-66.1	177.3	0	0	0	109.7	F741 Y753 D755 K761 N765	F741-L763 HydrophobicContact CD1-CD1 3.82Å; F741-L763 HydrophobicContact CE1-CD1 4.07Å; Y753-L763 PolarHBondContact O-N 2.82Å; D755-L763 HydrophobicContact CB-CD2 4.02Å; D755-L763 HydrophobicContact CB-CG 4.19Å; K761-L763 PolarHBondContact O-N 2.89Å; L763-N765 VanDerWaalsContact C-N 3.29Å; L763-N765 PolarHBondContact O-N 2.93Å
764	K	93.5	Very high	94.8	Very high	177 Å²	177	57.2 Å²	57.2	77%	0.77	29%	0.289	S	S	*	.			trans	-62.2	-32.8	-175.4	-65.8	-176	178.7	-178.7	0	113.3	Q762 R766	Q762-K764 PolarHBondContact O-N 3.34Å; Q762-K764 VanDerWaalsContact O-N 3.08Å; K764-R766 PolarHBondContact O-N 2.87Å
765	N	92.8	Very high	94.8	Very high	74 Å²	74	58.5 Å²	58.5	40%	0.396	30%	0.3	S	S	.	.			trans	-88	85.6	175.8	-175	15.2	0	0	0	111.1	L763 Y767 E768	L763-N765 VanDerWaalsContact C-N 3.29Å; L763-N765 PolarHBondContact O-N 2.93Å; N765-Y767 PolarHBondContact O-N 3.03Å; N765-Y767 WeakPolarHBondContact OD1-CB 3.41Å; N765-Y767 PolarHBondContact OD1-N 3.49Å; N765-E768 HydrophobicContact CB-CG 4.33Å; N765-E768 VanDerWaalsContact CB-OE1 3.31Å; N765-E768 WeakPolarHBondContact CB-OE1 3.29Å; N765-E768 PolarHBondContact ND2-OE1 3.01Å; N765-E768 WeakPolarHBondContact O-CB 3.49Å; N765-E768 PolarHBondContact O-N 3.32Å
766	R	92.8	Very high	94.8	Very high	62 Å²	62	58.8 Å²	58.8	23%	0.234	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-57	-16.9	-179	-62.7	-156.4	-52.1	-143.7	1.2	115.2	T227 Y229 I751 Y753 K764 E768 S769	T227-R766 PolarHBondContact O-NH2 2.8Å; Y229-R766 HydrophobicContact CD2-CB 4.19Å; Y229-R766 HydrophobicContact CE2-CB 3.81Å; I751-R766 WeakPolarHBondContact O-CD 3.38Å; I751-R766 PolarHBondContact O-NH1 2.9Å; Y753-R766 HydrophobicContact CD2-CB 4.17Å; Y753-R766 HydrophobicContact CD2-CG 4.03Å; Y753-R766 HydrophobicContact CE2-CB 3.97Å; Y753-R766 HydrophobicContact CE2-CG 4.14Å; K764-R766 PolarHBondContact O-N 2.87Å; R766-E768 VanDerWaalsContact C-N 3.3Å; R766-S769 PolarHBondContact O-N 3.39Å
767	Y	91.6	Very high	94.8	Very high	83 Å²	83	59.1 Å²	59.1	33%	0.325	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-63.6	-35.9	174.2	-178.6	-93.4	0	0	0	111.9	I215 Y229 N765 S769 R770	I215-Y767 HydrophobicContact CD1-CE2 4.05Å; Y229-Y767 AromaticContact CD1-CD2 3.66Å; Y229-Y767 HydrophobicContact CD1-CD2 3.66Å; Y229-Y767 AromaticContact CE1-CD2 3.96Å; Y229-Y767 HydrophobicContact CE1-CD2 3.96Å; Y229-Y767 HydrophobicContact CG-CD2 4.2Å; N765-Y767 PolarHBondContact O-N 3.03Å; N765-Y767 WeakPolarHBondContact OD1-CB 3.41Å; N765-Y767 PolarHBondContact OD1-N 3.49Å; Y767-S769 PolarHBondContact O-N 2.96Å; Y767-S769 VanDerWaalsContact O-N 3.11Å; Y767-R770 WeakPolarHBondContact O-CB 3.34Å; Y767-R770 WeakPolarHBondContact O-CD 3.13Å; Y767-R770 VanDerWaalsContact O-CG 3.28Å; Y767-R770 WeakPolarHBondContact O-CG 3.4Å; Y767-R770 PolarHBondContact O-N 3.5Å; Y767-R770 VanDerWaalsContact O-N 3.13Å; Y767-R770 VanDerWaalsContact OH-CZ 3.27Å; Y767-R770 PolarHBondContact OH-NH1 3.28Å; Y767-R770 PolarHBondContact OH-NH2 3.03Å
768	E	91.8	Very high	95.1	Very high	107 Å²	107	56.9 Å²	56.9	50%	0.5	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-64.3	-15.2	178.7	-70.2	158.6	-157.7	0	0	113.2	N765 R766 R772	N765-E768 HydrophobicContact CB-CG 4.33Å; N765-E768 VanDerWaalsContact CB-OE1 3.31Å; N765-E768 WeakPolarHBondContact CB-OE1 3.29Å; N765-E768 PolarHBondContact ND2-OE1 3.01Å; N765-E768 WeakPolarHBondContact O-CB 3.49Å; N765-E768 PolarHBondContact O-N 3.32Å; R766-E768 VanDerWaalsContact C-N 3.3Å; E768-R772 VanDerWaalsContact C-NH1 3.33Å; E768-R772 PolarHBondContact O-NH1 2.96Å
769	S	94.3	Very high	95.5	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.007	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-97.6	-2.8	177.5	-66.2	0	0	0	0	114.6	Y753 R766 Y767 D771 R772	Y753-S769 WeakPolarHBondContact CB-OG 3.41Å; Y753-S769 VanDerWaalsContact CD2-CB 3.48Å; Y753-S769 WeakPolarHBondContact CD2-OG 3.31Å; Y753-S769 VanDerWaalsContact CG-OG 3.23Å; R766-S769 PolarHBondContact O-N 3.39Å; Y767-S769 PolarHBondContact O-N 2.96Å; Y767-S769 VanDerWaalsContact O-N 3.11Å; S769-D771 PolarHBondContact O-N 3.11Å; S769-R772 PolarHBondContact O-N 3.02Å; S769-R772 PolarHBondContact OG-NH1 2.9Å
770	R	93.9	Very high	95.7	Very high	47 Å²	47	53.8 Å²	53.8	18%	0.177	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.2	-177.3	79.9	-169.5	-173.8	146.3	-11.6	113.2	I230 P231 Y767	I230-R770 WeakPolarHBondContact O-CD 3.47Å; I230-R770 PolarHBondContact O-NH1 2.89Å; P231-R770 WeakPolarHBondContact CG-O 3.38Å; Y767-R770 WeakPolarHBondContact O-CB 3.34Å; Y767-R770 WeakPolarHBondContact O-CD 3.13Å; Y767-R770 VanDerWaalsContact O-CG 3.28Å; Y767-R770 WeakPolarHBondContact O-CG 3.4Å; Y767-R770 PolarHBondContact O-N 3.5Å; Y767-R770 VanDerWaalsContact O-N 3.13Å; Y767-R770 VanDerWaalsContact OH-CZ 3.27Å; Y767-R770 PolarHBondContact OH-NH1 3.28Å; Y767-R770 PolarHBondContact OH-NH2 3.03Å
771	D	95.3	Very high	95.7	Very high	78 Å²	78	53.5 Å²	53.5	42%	0.417	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	5.7	-175.5	-63.4	-59.4	0	0	0	112.3	S232 S769	S232-D771 WeakPolarHBondContact CB-OD1 3.15Å; S232-D771 PolarHBondContact N-OD1 2.89Å; S232-D771 PolarHBondContact OG-OD1 3.34Å; S769-D771 PolarHBondContact O-N 3.11Å
772	R	95.8	Very high	95.6	Very high	51 Å²	51	47.3 Å²	47.3	19%	0.192	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-76.2	131.3	177.3	-78	-177.4	166	78.7	16.6	110.8	F741 E768 S769 W774	F741-R772 VanDerWaalsContact CG-NE 3.26Å; E768-R772 VanDerWaalsContact C-NH1 3.33Å; E768-R772 PolarHBondContact O-NH1 2.96Å; S769-R772 PolarHBondContact O-N 3.02Å; S769-R772 PolarHBondContact OG-NH1 2.9Å; R772-W774 HydrophobicContact CB-CH2 4.37Å; R772-W774 HydrophobicContact CB-CZ2 3.67Å; R772-W774 HydrophobicContact CG-CZ2 4.39Å; R772-W774 VanDerWaalsContact O-CD1 3.3Å; R772-W774 PolarHBondContact O-NE1 3.13Å
773	E	95.9	Very high	95.6	Very high	122 Å²	122	44.9 Å²	44.9	57%	0.57	21%	0.211	S	C	*	.	P	Polyproline II helix	trans	-81.1	124.9	169	-67.3	-163.6	77	0	0	111.5	S736 K737	S736-E773 CarbonylContact C-O 3.56Å; S736-E773 VanDerWaalsContact CA-O 3.3Å; S736-E773 WeakPolarHBondContact CA-O 3.49Å; S736-E773 WeakPolarHBondContact CB-O 3.45Å; K737-E773 HydrophobicContact CB-CB 4.33Å; K737-E773 HydrophobicContact CD-CB 3.76Å; K737-E773 HydrophobicContact CD-CG 4.5Å; K737-E773 WeakPolarHBondContact CD-OE1 3.42Å; K737-E773 WeakPolarHBondContact CE-OE1 3.39Å; K737-E773 HydrophobicContact CG-CB 4Å; K737-E773 PolarHBondContact N-O 2.69Å; K737-E773 IonicContact NZ-OE1 2.83Å; K737-E773 PolarHBondContact NZ-OE1 3.12Å
774	W	97.7	Very high	95.5	Very high	7 Å²	7	45.3 Å²	45.3	3%	0.027	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-94.4	135.3	176.2	-55	94.2	0	0	0	110.1	K737 F741 M743 Y753 R772 T776 Y777	K737-W774 WeakPolarHBondContact CE-O 3.42Å; F741-W774 HydrophobicContact CB-CH2 4.18Å; F741-W774 HydrophobicContact CB-CZ3 4.29Å; M743-W774 HydrophobicContact CB-CD2 4.04Å; M743-W774 HydrophobicContact CB-CE3 3.78Å; M743-W774 HydrophobicContact CB-CH2 3.75Å; M743-W774 HydrophobicContact CB-CZ2 3.97Å; M743-W774 HydrophobicContact CB-CZ3 3.65Å; M743-W774 HydrophobicContact CE-CD2 4.12Å; M743-W774 HydrophobicContact CE-CG 4.06Å; Y753-W774 AromaticContact CD1-CH2 3.74Å; Y753-W774 HydrophobicContact CD1-CH2 3.74Å; Y753-W774 AromaticContact CD1-CZ2 3.6Å; Y753-W774 HydrophobicContact CD1-CZ2 3.6Å; Y753-W774 HydrophobicContact CE1-CH2 4.19Å; Y753-W774 AromaticContact CE1-CZ2 3.6Å; Y753-W774 HydrophobicContact CE1-CZ2 3.6Å; R772-W774 HydrophobicContact CB-CH2 4.37Å; R772-W774 HydrophobicContact CB-CZ2 3.67Å; R772-W774 HydrophobicContact CG-CZ2 4.39Å; R772-W774 VanDerWaalsContact O-CD1 3.3Å; R772-W774 PolarHBondContact O-NE1 3.13Å; W774-T776 VanDerWaalsContact C-N 3.28Å; W774-T776 WeakPolarHBondContact CB-O 3.24Å; W774-Y777 HydrophobicContact CB-CD2 4.46Å; W774-Y777 HydrophobicContact CB-CE2 3.91Å; W774-Y777 AromaticContact CD1-CZ 3.84Å
775	A	97.8	Very high	95.7	Very high	29 Å²	29	36.9 Å²	36.9	24%	0.24	18%	0.176	C	C	.	.	S	Bend	trans	-68.3	-34.1	-179.4	0	0	0	0	0	111.6	P691 W735 K737 R803	P691-A775 HydrophobicContact CB-CB 4.42Å; P691-A775 HydrophobicContact CG-CB 3.52Å; W735-A775 WeakPolarHBondContact O-CB 3.42Å; W735-A775 PolarHBondContact O-N 2.93Å; K737-A775 HydrophobicContact CG-CB 4.25Å; A775-R803 PolarHBondContact O-NH2 3.28Å
776	T	97.5	Very high	95.8	Very high	43 Å²	43	34.2 Å²	34.2	26%	0.264	16%	0.16	S	C	.	.			trans	-135.1	160.5	179.4	41	0	0	0	0	109.1	R688 D734 W774	R688-T776 PolarHBondContact NH2-OG1 3Å; D734-T776 WeakPolarHBondContact CB-O 3.46Å; D734-T776 PolarHBondContact OD1-OG1 2.9Å; W774-T776 VanDerWaalsContact C-N 3.28Å; W774-T776 WeakPolarHBondContact CB-O 3.24Å
777	Y	97.8	Very high	95.8	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.027	15%	0.151	C	C	.	.			trans	-125.6	116.3	160.5	-75	-98.7	0	0	0	107.5	D734 M743 W774 H784 V785 L801 C802 R803 Y824	D734-Y777 WeakPolarHBondContact OD2-CA 3.26Å; M743-Y777 HydrophobicContact CE-CD1 4.25Å; M743-Y777 HydrophobicContact CE-CE1 4.18Å; W774-Y777 HydrophobicContact CB-CD2 4.46Å; W774-Y777 HydrophobicContact CB-CE2 3.91Å; W774-Y777 AromaticContact CD1-CZ 3.84Å; Y777-H784 HydrophobicContact CE1-CB 3.83Å; Y777-H784 AromaticContact CZ-ND1 3.77Å; Y777-H784 PolarHBondContact OH-ND1 2.62Å; Y777-V785 HydrophobicContact CD1-CG1 3.97Å; Y777-V785 HydrophobicContact CG-CG1 4.36Å; Y777-L801 WeakPolarHBondContact O-CD2 3.4Å; Y777-C802 WeakPolarHBondContact O-CA 3.38Å; Y777-R803 HydrophobicContact CD2-CB 4.49Å; Y777-R803 PolarHBondContact O-N 3.34Å; Y777-R803 VanDerWaalsContact O-N 3.09Å; Y777-Y824 HydrophobicContact CD2-CE2 4.04Å; Y777-Y824 HydrophobicContact CE2-CE2 4.06Å; Y777-Y824 AromaticContact CE2-CZ 3.93Å; Y777-Y824 WeakPolarHBondContact CE2-OH 3.49Å; Y777-Y824 HydrophobicContact CG-CE2 4.4Å; Y777-Y824 PolarHBondContact OH-OH 3.4Å
778	T	98.3	Very high	96	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.025	14%	0.137	C	C	.	.			trans	-133.4	-17.9	167.9	63.9	0	0	0	0	111.6	R688 L733 D734 V780 L801	R688-T778 VanDerWaalsContact NH2-CG2 3.32Å; R688-T778 PolarHBondContact NH2-OG1 2.97Å; L733-T778 PolarHBondContact O-OG1 3.4Å; D734-T778 WeakPolarHBondContact OD1-CB 3.14Å; D734-T778 PolarHBondContact OD1-N 3.12Å; D734-T778 PolarHBondContact OD1-OG1 2.94Å; D734-T778 PolarHBondContact OD2-N 2.85Å; T778-V780 PolarHBondContact O-N 2.62Å; T778-L801 VanDerWaalsContact CA-O 3.29Å; T778-L801 WeakPolarHBondContact CA-O 3.48Å; T778-L801 WeakPolarHBondContact CB-O 3.18Å; T778-L801 WeakPolarHBondContact CG2-O 3.46Å
779	C	98.4	Very high	96.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.			trans	-57.2	114.4	161.8	-69.7	0	0	0	0	110.8	H732 D734 M743 N745 L781	H732-C779 HydrophobicContact CB-CB 4.31Å; D734-C779 WeakPolarHBondContact OD2-CB 3.45Å; D734-C779 PolarHBondContact OD2-N 3.33Å; D734-C779 PolarHBondContact OD2-SG 3.09Å; M743-C779 HydrophobicContact CE-CB 3.85Å; M743-C779 HydrophobicContact SD-CB 4.45Å; N745-C779 VanDerWaalsContact OD1-CA 3.28Å; N745-C779 WeakPolarHBondContact OD1-CA 3.28Å; N745-C779 VanDerWaalsContact OD1-CB 3.24Å; N745-C779 WeakPolarHBondContact OD1-CB 3.43Å; C779-L781 PolarHBondContact O-N 3.05Å
780	V	97.3	Very high	95.9	Very high	8 Å²	8	26.9 Å²	26.9	5%	0.048	14%	0.138	C	C	.	.	S	Bend	trans	-69.9	-18.8	176.4	-59.5	0	0	0	0	112.9	H732 N745 T778 W789 I798 L801	H732-V780 WeakPolarHBondContact NE2-CG2 3.44Å; N745-V780 PolarHBondContact OD1-N 3.15Å; N745-V780 VanDerWaalsContact OD1-N 3.11Å; T778-V780 PolarHBondContact O-N 2.62Å; V780-W789 HydrophobicContact CB-CZ2 3.82Å; V780-W789 HydrophobicContact CG2-CH2 4.44Å; V780-W789 HydrophobicContact CG2-CZ2 3.67Å; V780-W789 PolarHBondContact O-NE1 3.44Å; V780-I798 HydrophobicContact CB-CG2 4.41Å; V780-I798 HydrophobicContact CG1-CG2 3.78Å; V780-L801 HydrophobicContact CG1-CB 3.87Å
781	L	96.9	Very high	95.4	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	-110.5	106.3	176.6	-51.2	178.4	0	0	0	110.8	M219 L221 I226 N745 I751 C779 W789	M219-L781 HydrophobicContact CE-CD2 3.67Å; L221-L781 HydrophobicContact CD1-CD2 3.76Å; I226-L781 HydrophobicContact CD1-CD1 4.31Å; I226-L781 HydrophobicContact CD1-CD2 4.18Å; N745-L781 PolarHBondContact ND2-O 2.93Å; N745-L781 VanDerWaalsContact ND2-O 3.15Å; N745-L781 PolarHBondContact OD1-N 3.25Å; I751-L781 HydrophobicContact CD1-CB 3.92Å; I751-L781 WeakPolarHBondContact CD1-O 3.47Å; I751-L781 HydrophobicContact CG1-CB 3.72Å; C779-L781 PolarHBondContact O-N 3.05Å; L781-W789 HydrophobicContact CD2-CZ2 3.77Å
782	G	95.9	Very high	94.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	18%	0.18	C	C	.	.	S	Bend	trans	-173.6	155.2	175.6	0	0	0	0	0	112.5	M228 H784 V785 Y786	M228-G782 VanDerWaalsContact SD-C 3.58Å; G782-H784 VanDerWaalsContact C-N 3.29Å; G782-H784 PolarHBondContact O-N 3.42Å; G782-V785 WeakPolarHBondContact O-CG2 3.45Å; G782-V785 PolarHBondContact O-N 3.09Å; G782-V785 VanDerWaalsContact O-N 3.09Å; G782-Y786 PolarHBondContact O-N 3.04Å
783	F	95.3	Very high	94.4	Very high	11 Å²	11	28.1 Å²	28.1	5%	0.048	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-40	-175	173	-92.4	0	0	0	113.2	V217 M228 I230 P231 I234 L237 L240 V785 Y786 A827	V217-F783 HydrophobicContact CG2-CD2 4.45Å; V217-F783 HydrophobicContact CG2-CE2 4.05Å; M228-F783 HydrophobicContact CB-CB 4.27Å; I230-F783 HydrophobicContact CB-CE2 4.33Å; I230-F783 HydrophobicContact CG1-CD2 4.36Å; I230-F783 HydrophobicContact CG1-CE2 3.83Å; I230-F783 HydrophobicContact CG1-CZ 4.47Å; I230-F783 HydrophobicContact CG2-CE2 4.33Å; I230-F783 HydrophobicContact CG2-CZ 4.15Å; P231-F783 VanDerWaalsContact CD-CE1 3.41Å; P231-F783 HydrophobicContact CG-CD1 3.78Å; P231-F783 HydrophobicContact CG-CE1 3.98Å; I234-F783 HydrophobicContact CD1-CE1 3.56Å; I234-F783 HydrophobicContact CD1-CZ 4.09Å; L237-F783 HydrophobicContact CD2-CE2 3.96Å; L237-F783 HydrophobicContact CD2-CZ 3.81Å; L240-F783 HydrophobicContact CD1-CZ 4.17Å; F783-V785 PolarHBondContact O-N 3.32Å; F783-Y786 HydrophobicContact CD2-CE1 4.39Å; F783-Y786 HydrophobicContact CE2-CE1 4.37Å; F783-Y786 VanDerWaalsContact O-CD1 3.26Å; F783-Y786 WeakPolarHBondContact O-CD1 3.5Å; F783-A827 HydrophobicContact CD1-CB 4.46Å; F783-A827 HydrophobicContact CE1-CB 3.91Å; F783-A827 HydrophobicContact CZ-CB 3.99Å; F783-A827 VanDerWaalsContact O-CB 3.25Å; F783-A827 WeakPolarHBondContact O-CB 3.41Å
784	H	95.8	Very high	93.9	Very high	35 Å²	35	24.9 Å²	24.9	16%	0.162	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-3.8	-177	-60.4	99.2	0	0	0	114.4	P231 Y777 G782 Y824 P825 C826	P231-H784 WeakPolarHBondContact CG-NE2 3.24Å; Y777-H784 HydrophobicContact CE1-CB 3.83Å; Y777-H784 AromaticContact CZ-ND1 3.77Å; Y777-H784 PolarHBondContact OH-ND1 2.62Å; G782-H784 VanDerWaalsContact C-N 3.29Å; G782-H784 PolarHBondContact O-N 3.42Å; H784-Y824 HydrophobicContact CB-CE2 3.8Å; H784-P825 HydrophobicContact CB-CB 4.25Å; H784-P825 CarbonylContact O-C 3.58Å; H784-C826 PolarHBondContact O-N 3.08Å
785	V	96.3	Very high	93.4	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.8	-10.6	-173.7	-63	0	0	0	0	115.2	Y777 G782 F783 G787 V788 L801 V810 Y824 C826	Y777-V785 HydrophobicContact CD1-CG1 3.97Å; Y777-V785 HydrophobicContact CG-CG1 4.36Å; G782-V785 WeakPolarHBondContact O-CG2 3.45Å; G782-V785 PolarHBondContact O-N 3.09Å; G782-V785 VanDerWaalsContact O-N 3.09Å; F783-V785 PolarHBondContact O-N 3.32Å; V785-G787 PolarHBondContact O-N 2.69Å; V785-V788 WeakPolarHBondContact O-CG1 3.44Å; V785-V788 VanDerWaalsContact O-CG2 3.28Å; V785-V788 WeakPolarHBondContact O-CG2 3.43Å; V785-V788 PolarHBondContact O-N 2.99Å; V785-L801 HydrophobicContact CB-CD1 3.88Å; V785-L801 HydrophobicContact CG1-CD1 4.11Å; V785-L801 HydrophobicContact CG1-CD2 4.19Å; V785-L801 HydrophobicContact CG2-CD1 4.25Å; V785-V810 HydrophobicContact CG1-CG2 4.48Å; V785-Y824 HydrophobicContact CG1-CE2 4.45Å; V785-C826 CarbonylContact C-O 3.34Å; V785-C826 WeakPolarHBondContact CA-O 3.29Å
786	Y	94.9	Very high	93.1	Very high	18 Å²	18	26.9 Å²	26.9	7%	0.071	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-58.3	-20.4	-171.2	83.4	-91.1	0	0	0	115.1	V217 M219 M228 G782 F783 V788 W789 C826 A827 A829	V217-Y786 HydrophobicContact CG1-CE1 4.14Å; V217-Y786 HydrophobicContact CG1-CE2 4.04Å; M219-Y786 HydrophobicContact SD-CD2 4.23Å; M228-Y786 HydrophobicContact CE-CD1 4.12Å; M228-Y786 HydrophobicContact CE-CD2 4.25Å; M228-Y786 HydrophobicContact CE-CG 3.72Å; M228-Y786 HydrophobicContact SD-CD1 4.47Å; M228-Y786 HydrophobicContact SD-CG 4.31Å; G782-Y786 PolarHBondContact O-N 3.04Å; F783-Y786 HydrophobicContact CD2-CE1 4.39Å; F783-Y786 HydrophobicContact CE2-CE1 4.37Å; F783-Y786 VanDerWaalsContact O-CD1 3.26Å; F783-Y786 WeakPolarHBondContact O-CD1 3.5Å; Y786-V788 PolarHBondContact O-N 3.22Å; Y786-W789 PolarHBondContact O-N 2.66Å; Y786-C826 PolarHBondContact N-O 3.41Å; Y786-A827 HydrophobicContact CE1-CB 4.34Å; Y786-A827 PolarHBondContact OH-O 2.92Å; Y786-A829 HydrophobicContact CE2-CB 4.42Å
787	G	94	Very high	92.9	Very high	3 Å²	3	26 Å²	26	3%	0.031	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-65.2	-13.3	176.4	0	0	0	0	0	115.2	V785 W789 C826 R828 A831	V785-G787 PolarHBondContact O-N 2.69Å; G787-W789 VanDerWaalsContact C-N 3.27Å; G787-W789 PolarHBondContact O-N 2.83Å; G787-C826 WeakPolarHBondContact CA-O 3.37Å; G787-C826 PolarHBondContact N-O 3.22Å; G787-R828 WeakPolarHBondContact CA-O 3.19Å; G787-A831 WeakPolarHBondContact O-CB 3.36Å; G787-A831 PolarHBondContact O-N 2.88Å
788	V	95.6	Very high	92.9	Very high	6 Å²	6	26.3 Å²	26.3	4%	0.036	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-70.3	-22.3	175.7	-56.7	0	0	0	0	113.3	V785 Y786 P790 I798 L801 V810 V812 F822 C826	V785-V788 WeakPolarHBondContact O-CG1 3.44Å; V785-V788 VanDerWaalsContact O-CG2 3.28Å; V785-V788 WeakPolarHBondContact O-CG2 3.43Å; V785-V788 PolarHBondContact O-N 2.99Å; Y786-V788 PolarHBondContact O-N 3.22Å; V788-P790 WeakPolarHBondContact O-CD 3.31Å; V788-I798 HydrophobicContact CB-CD1 4.46Å; V788-I798 HydrophobicContact CG2-CD1 3.81Å; V788-L801 HydrophobicContact CG1-CD1 4.36Å; V788-L801 HydrophobicContact CG2-CD1 4.12Å; V788-V810 HydrophobicContact CG1-CG1 4.17Å; V788-V812 HydrophobicContact CB-CG2 4.01Å; V788-V812 HydrophobicContact CG1-CG2 3.8Å; V788-V812 HydrophobicContact CG2-CG2 4.35Å; V788-F822 HydrophobicContact CB-CD2 4.22Å; V788-F822 HydrophobicContact CB-CE1 4.32Å; V788-F822 HydrophobicContact CB-CE2 3.77Å; V788-F822 HydrophobicContact CB-CZ 3.83Å; V788-F822 HydrophobicContact CG1-CD1 4.32Å; V788-F822 HydrophobicContact CG1-CD2 3.68Å; V788-F822 HydrophobicContact CG1-CE1 4.4Å; V788-F822 HydrophobicContact CG1-CE2 3.78Å; V788-F822 HydrophobicContact CG1-CG 3.96Å; V788-F822 HydrophobicContact CG1-CZ 4.15Å; V788-C826 HydrophobicContact CG1-CB 4Å; V788-C826 PolarHBondContact N-SG 3.34Å
789	W	94.4	Very high	92.8	Very high	16 Å²	16	27.5 Å²	27.5	6%	0.061	17%	0.174	C	C	.	.	S	Bend	trans	-75.5	126.6	-175.3	-72.7	94.8	0	0	0	111.9	M219 L221 V780 L781 Y786 G787 S793 I798	M219-W789 HydrophobicContact CE-CD2 4.43Å; M219-W789 HydrophobicContact CE-CG 3.93Å; M219-W789 HydrophobicContact SD-CB 3.8Å; M219-W789 VanDerWaalsContact SD-CD1 3.58Å; M219-W789 HydrophobicContact SD-CG 3.77Å; L221-W789 HydrophobicContact CD1-CD2 4.44Å; L221-W789 HydrophobicContact CD1-CH2 4.33Å; L221-W789 HydrophobicContact CD1-CZ2 4.25Å; L221-W789 HydrophobicContact CD1-CZ3 4.49Å; L221-W789 HydrophobicContact CD2-CD2 4.22Å; L221-W789 HydrophobicContact CD2-CE3 3.99Å; L221-W789 HydrophobicContact CD2-CZ3 4.43Å; V780-W789 HydrophobicContact CB-CZ2 3.82Å; V780-W789 HydrophobicContact CG2-CH2 4.44Å; V780-W789 HydrophobicContact CG2-CZ2 3.67Å; V780-W789 PolarHBondContact O-NE1 3.44Å; L781-W789 HydrophobicContact CD2-CZ2 3.77Å; Y786-W789 PolarHBondContact O-N 2.66Å; G787-W789 VanDerWaalsContact C-N 3.27Å; G787-W789 PolarHBondContact O-N 2.83Å; W789-S793 WeakPolarHBondContact CZ3-OG 3.44Å; W789-I798 HydrophobicContact CD2-CD1 3.74Å; W789-I798 HydrophobicContact CE3-CB 4.47Å; W789-I798 HydrophobicContact CE3-CD1 3.69Å; W789-I798 HydrophobicContact CE3-CG1 4.02Å; W789-I798 HydrophobicContact CG-CD1 4.23Å; W789-I798 HydrophobicContact CH2-CB 3.82Å; W789-I798 HydrophobicContact CH2-CD1 4.42Å; W789-I798 HydrophobicContact CH2-CG1 4.28Å; W789-I798 HydrophobicContact CZ2-CB 4.25Å; W789-I798 HydrophobicContact CZ2-CD1 4.43Å; W789-I798 HydrophobicContact CZ3-CB 3.92Å; W789-I798 HydrophobicContact CZ3-CD1 4.04Å; W789-I798 HydrophobicContact CZ3-CG1 3.89Å
790	P	88.8	Confident	92.8	Very high	74 Å²	74	27.7 Å²	27.7	48%	0.481	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-62.6	152.2	173.8	-23.8	34.8	0	0	0	113.5	V788 G792 S793	V788-P790 WeakPolarHBondContact O-CD 3.31Å; P790-G792 PolarHBondContact O-N 3.19Å; P790-S793 VanDerWaalsContact O-CB 3.25Å; P790-S793 WeakPolarHBondContact O-CB 3.4Å; P790-S793 PolarHBondContact O-N 2.92Å
791	D	83.8	Confident	92.9	Very high	111 Å²	111	27.3 Å²	27.3	59%	0.594	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	131	167.9	-75.4	-30.7	0	0	0	110.4	S793 K830	D791-S793 PolarHBondContact O-N 3.44Å; D791-K830 WeakPolarHBondContact OD1-CE 3.31Å; D791-K830 IonicContact OD1-NZ 2.65Å; D791-K830 PolarHBondContact OD1-NZ 3.17Å; D791-K830 WeakPolarHBondContact OD2-CD 3.46Å; D791-K830 WeakPolarHBondContact OD2-CE 3.13Å; D791-K830 IonicContact OD2-NZ 3.46Å; D791-K830 PolarHBondContact OD2-NZ 3.15Å
792	G	82.8	Confident	93	Very high	85 Å²	85	27.7 Å²	27.7	88%	0.876	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	5.1	177.7	0	0	0	0	0	115.1	P790	P790-G792 PolarHBondContact O-N 3.19Å
793	S	87.4	Confident	93.1	Very high	7 Å²	7	28.5 Å²	28.5	5%	0.049	18%	0.179	C	C	.	.			trans	-52.1	143	177.4	174.5	0	0	0	0	113.1	W789 P790 D791 G795 D797	W789-S793 WeakPolarHBondContact CZ3-OG 3.44Å; P790-S793 VanDerWaalsContact O-CB 3.25Å; P790-S793 WeakPolarHBondContact O-CB 3.4Å; P790-S793 PolarHBondContact O-N 2.92Å; D791-S793 PolarHBondContact O-N 3.44Å; S793-G795 PolarHBondContact OG-N 3.31Å; S793-D797 WeakPolarHBondContact CA-OD2 2.98Å; S793-D797 VanDerWaalsContact CB-OD2 3.24Å; S793-D797 WeakPolarHBondContact CB-OD2 3.4Å; S793-D797 PolarHBondContact OG-OD2 3.43Å
794	D	84.8	Confident	93.2	Very high	53 Å²	53	28 Å²	28	28%	0.283	18%	0.177	S	C	.	.			trans	-90.9	-1.8	-177.2	96.9	-14	0	0	0	113.5	R222 Y749 T796 D797	R222-D794 WeakPolarHBondContact CD-O 3.48Å; R222-D794 HydrophobicContact CG-CB 4.05Å; R222-D794 VanDerWaalsContact CG-O 3.27Å; R222-D794 WeakPolarHBondContact CG-O 3.4Å; R222-D794 VanDerWaalsContact CZ-O 3.24Å; R222-D794 IonicContact CZ-OD2 3.6Å; R222-D794 PolarHBondContact NE-O 2.9Å; R222-D794 IonicContact NE-OD2 3.19Å; R222-D794 IonicContact NH2-OD1 2.91Å; R222-D794 IonicContact NH2-OD2 2.7Å; R222-D794 PolarHBondContact NH2-OD2 3.11Å; Y749-D794 PolarHBondContact OH-O 2.9Å; D794-T796 VanDerWaalsContact C-N 3.28Å; D794-T796 PolarHBondContact O-N 3.49Å; D794-T796 WeakPolarHBondContact OD1-CA 3.37Å; D794-T796 WeakPolarHBondContact OD1-CB 3.18Å; D794-T796 PolarHBondContact OD1-N 3.42Å; D794-T796 PolarHBondContact OD1-OG1 3.13Å; D794-T796 PolarHBondContact OD2-OG1 3.4Å; D794-D797 PolarHBondContact N-OD2 3.22Å
795	G	88.8	Confident	93.3	Very high	11 Å²	11	31 Å²	31	11%	0.113	19%	0.19	C	C	.	.	S	Bend	trans	80.2	1.2	178.3	0	0	0	0	0	115.3	Y749 S793	Y749-G795 WeakPolarHBondContact CE1-O 3.46Å; S793-G795 PolarHBondContact OG-N 3.31Å
796	T	91.3	Very high	93.2	Very high	67 Å²	67	32.2 Å²	32.2	41%	0.411	20%	0.197	S	C	.	.			trans	-106.4	-17.2	166.6	11.9	0	0	0	0	112.5	R222 D794 I798	R222-T796 PolarHBondContact NH2-OG1 3.19Å; D794-T796 VanDerWaalsContact C-N 3.28Å; D794-T796 PolarHBondContact O-N 3.49Å; D794-T796 WeakPolarHBondContact OD1-CA 3.37Å; D794-T796 WeakPolarHBondContact OD1-CB 3.18Å; D794-T796 PolarHBondContact OD1-N 3.42Å; D794-T796 PolarHBondContact OD1-OG1 3.13Å; D794-T796 PolarHBondContact OD2-OG1 3.4Å; T796-I798 PolarHBondContact O-N 2.83Å
797	D	92.6	Very high	93.3	Very high	26 Å²	26	34.6 Å²	34.6	14%	0.139	21%	0.209	C	C	.	.	S	Bend	trans	-54.6	-20	-177.5	-53.6	-62.5	0	0	0	116.1	S793 D794 D814 D815 F816	S793-D797 WeakPolarHBondContact CA-OD2 2.98Å; S793-D797 VanDerWaalsContact CB-OD2 3.24Å; S793-D797 WeakPolarHBondContact CB-OD2 3.4Å; S793-D797 PolarHBondContact OG-OD2 3.43Å; D794-D797 PolarHBondContact N-OD2 3.22Å; D797-D814 VanDerWaalsContact O-CA 3.28Å; D797-D814 WeakPolarHBondContact O-CA 3.22Å; D797-D814 WeakPolarHBondContact O-CB 3.35Å; D797-D815 PolarHBondContact O-N 2.9Å; D797-F816 HydrophobicContact CB-CE2 3.98Å; D797-F816 HydrophobicContact CB-CZ 4.24Å; D797-F816 VanDerWaalsContact OD1-CZ 3.31Å; D797-F816 WeakPolarHBondContact OD1-CZ 3.4Å
798	I	96.8	Very high	93.3	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.062	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.8	179.8	-61.9	179.4	0	0	0	109.7	V780 V788 W789 T796 V812	V780-I798 HydrophobicContact CB-CG2 4.41Å; V780-I798 HydrophobicContact CG1-CG2 3.78Å; V788-I798 HydrophobicContact CB-CD1 4.46Å; V788-I798 HydrophobicContact CG2-CD1 3.81Å; W789-I798 HydrophobicContact CD2-CD1 3.74Å; W789-I798 HydrophobicContact CE3-CB 4.47Å; W789-I798 HydrophobicContact CE3-CD1 3.69Å; W789-I798 HydrophobicContact CE3-CG1 4.02Å; W789-I798 HydrophobicContact CG-CD1 4.23Å; W789-I798 HydrophobicContact CH2-CB 3.82Å; W789-I798 HydrophobicContact CH2-CD1 4.42Å; W789-I798 HydrophobicContact CH2-CG1 4.28Å; W789-I798 HydrophobicContact CZ2-CB 4.25Å; W789-I798 HydrophobicContact CZ2-CD1 4.43Å; W789-I798 HydrophobicContact CZ3-CB 3.92Å; W789-I798 HydrophobicContact CZ3-CD1 4.04Å; W789-I798 HydrophobicContact CZ3-CG1 3.89Å; T796-I798 PolarHBondContact O-N 2.83Å; I798-V812 HydrophobicContact CD1-CG1 3.95Å; I798-V812 HydrophobicContact CG1-CG1 4.12Å; I798-V812 HydrophobicContact CG2-CG1 3.66Å
799	N	97.8	Very high	93.4	Very high	30 Å²	30	38.3 Å²	38.3	16%	0.16	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-34	-178.9	-71.2	-61.6	0	0	0	113.4	W602 H732 A813 D815 V843	W602-N799 HydrophobicContact CZ3-CB 4.43Å; H732-N799 PolarHBondContact CE1-O 3.29Å; N799-A813 PolarHBondContact N-O 3.08Å; N799-D815 PolarHBondContact ND2-OD1 2.82Å; N799-V843 WeakPolarHBondContact CB-O 3.3Å; N799-V843 PolarHBondContact ND2-O 3.31Å; N799-V843 VanDerWaalsContact ND2-O 3.16Å
800	S	98.4	Very high	93.6	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	150	-173.3	-166.9	0	0	0	0	111.9	V812 A813 T844 S845 R847	S800-V812 WeakPolarHBondContact O-CA 3.18Å; S800-A813 PolarHBondContact O-N 2.89Å; S800-T844 WeakPolarHBondContact CB-O 3.49Å; S800-S845 PolarHBondContact OG-OG 3.1Å; S800-R847 PolarHBondContact OG-NH1 2.99Å; S800-R847 VanDerWaalsContact OG-NH1 3.11Å
801	L	98.6	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.6	178.1	179.3	148.5	0	0	0	108.4	Y777 T778 V780 V785 V788 V810 A811 V812 R847	Y777-L801 WeakPolarHBondContact O-CD2 3.4Å; T778-L801 VanDerWaalsContact CA-O 3.29Å; T778-L801 WeakPolarHBondContact CA-O 3.48Å; T778-L801 WeakPolarHBondContact CB-O 3.18Å; T778-L801 WeakPolarHBondContact CG2-O 3.46Å; V780-L801 HydrophobicContact CG1-CB 3.87Å; V785-L801 HydrophobicContact CB-CD1 3.88Å; V785-L801 HydrophobicContact CG1-CD1 4.11Å; V785-L801 HydrophobicContact CG1-CD2 4.19Å; V785-L801 HydrophobicContact CG2-CD1 4.25Å; V788-L801 HydrophobicContact CG1-CD1 4.36Å; V788-L801 HydrophobicContact CG2-CD1 4.12Å; L801-V810 HydrophobicContact CD1-CG2 3.8Å; L801-V810 HydrophobicContact CD2-CG2 3.59Å; L801-V810 HydrophobicContact CG-CG2 3.5Å; L801-V810 VanDerWaalsContact CG-CG2 3.5Å; L801-A811 CarbonylContact C-O 3.49Å; L801-A811 WeakPolarHBondContact CA-O 3.31Å; L801-V812 HydrophobicContact CD1-CG2 4.03Å; L801-V812 HydrophobicContact CG-CG2 4.21Å; L801-R847 PolarHBondContact O-NH1 2.97Å
802	C	98.6	Very high	94.7	Very high	12 Å²	12	28.9 Å²	28.9	8%	0.081	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	121.3	171.6	-171.9	0	0	0	0	110.1	Y777 V810 A811 V846 F848	Y777-C802 WeakPolarHBondContact O-CA 3.38Å; C802-V810 WeakPolarHBondContact O-CA 3.41Å; C802-A811 PolarHBondContact N-O 2.88Å; C802-A811 PolarHBondContact O-N 2.92Å; C802-V846 HydrophobicContact CB-CG2 4.4Å; C802-V846 VanDerWaalsContact CB-O 3.31Å; C802-V846 WeakPolarHBondContact CB-O 3.48Å; C802-F848 HydrophobicContact CB-CD2 4.43Å; C802-F848 WeakPolarHBondContact O-CE2 3.4Å
803	R	98.5	Very high	95.5	Very high	17 Å²	17	24.9 Å²	24.9	6%	0.064	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	141.8	168.4	-174.5	-161.7	71.8	167.8	2.6	110.3	A775 Y777 E807 V809 V810 Y824	A775-R803 PolarHBondContact O-NH2 3.28Å; Y777-R803 HydrophobicContact CD2-CB 4.49Å; Y777-R803 PolarHBondContact O-N 3.34Å; Y777-R803 VanDerWaalsContact O-N 3.09Å; R803-E807 VanDerWaalsContact CZ-CD 3.47Å; R803-E807 VanDerWaalsContact CZ-CG 3.49Å; R803-E807 IonicContact CZ-OE1 2.7Å; R803-E807 IonicContact NH1-OE1 2.69Å; R803-E807 PolarHBondContact NH1-OE1 2.79Å; R803-E807 IonicContact NH1-OE2 3.78Å; R803-E807 PolarHBondContact NH1-OE2 2.53Å; R803-E807 IonicContact NH2-OE1 3.08Å; R803-E807 PolarHBondContact NH2-OE1 3.03Å; R803-V809 WeakPolarHBondContact CA-O 3.49Å; R803-V809 WeakPolarHBondContact CG-O 3.44Å; R803-V810 HydrophobicContact CB-CG2 4.5Å; R803-Y824 HydrophobicContact CB-CD2 4.45Å; R803-Y824 VanDerWaalsContact CD-CD2 3.46Å; R803-Y824 HydrophobicContact CG-CD2 3.63Å; R803-Y824 HydrophobicContact CG-CE2 4.01Å; R803-Y824 HydrophobicContact CG-CG 3.93Å
804	S	98.3	Very high	95.9	Very high	1 Å²	1	25 Å²	25	1%	0.007	13%	0.127	C	C	.	.			trans	-59.4	152.7	171.6	61.6	0	0	0	0	112.5	N806 E807 R808 V809 D852	S804-N806 VanDerWaalsContact C-N 3.31Å; S804-N806 WeakPolarHBondContact CB-OD1 3.29Å; S804-N806 PolarHBondContact O-N 3.09Å; S804-N806 PolarHBondContact OG-OD1 2.92Å; S804-E807 PolarHBondContact O-N 3.04Å; S804-E807 VanDerWaalsContact O-N 3.14Å; S804-R808 PolarHBondContact OG-N 3.28Å; S804-V809 PolarHBondContact N-O 3.14Å; S804-V809 PolarHBondContact OG-N 3.28Å; S804-V809 VanDerWaalsContact OG-N 3.1Å; S804-V809 PolarHBondContact OG-O 3.3Å; S804-D852 VanDerWaalsContact CA-OD1 3.26Å; S804-D852 WeakPolarHBondContact CA-OD1 3.49Å; S804-D852 VanDerWaalsContact CB-OD1 3.22Å; S804-D852 WeakPolarHBondContact CB-OD1 3.39Å
805	H	96.8	Very high	96.4	Very high	97 Å²	97	24.7 Å²	24.7	45%	0.449	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.9	179.7	-64.5	-83.3	0	0	0	111.6	E807 T849 D852	H805-E807 PolarHBondContact O-N 3.29Å; H805-T849 PolarHBondContact CD2-O 2.87Å; H805-T849 VanDerWaalsContact CD2-O 3.23Å; H805-T849 PolarHBondContact NE2-O 3.45Å; H805-D852 IonicContact CD2-OD1 3.68Å; H805-D852 PolarHBondContact CD2-OD1 2.85Å; H805-D852 IonicContact CG-OD1 3.1Å; H805-D852 VanDerWaalsContact N-CG 3.35Å; H805-D852 PolarHBondContact N-OD1 2.84Å; H805-D852 PolarHBondContact N-OD2 3Å; H805-D852 VanDerWaalsContact N-OD2 3.09Å
806	N	95.3	Very high	96.6	Very high	26 Å²	26	27.3 Å²	27.3	14%	0.139	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	3.3	173.3	69.9	19.8	0	0	0	114.8	S804 R808 D852 A881	S804-N806 VanDerWaalsContact C-N 3.31Å; S804-N806 WeakPolarHBondContact CB-OD1 3.29Å; S804-N806 PolarHBondContact O-N 3.09Å; S804-N806 PolarHBondContact OG-OD1 2.92Å; N806-R808 VanDerWaalsContact C-N 3.25Å; N806-R808 PolarHBondContact O-N 3.3Å; N806-R808 VanDerWaalsContact OD1-CB 3.31Å; N806-R808 WeakPolarHBondContact OD1-CB 3.32Å; N806-R808 PolarHBondContact OD1-N 2.88Å; N806-D852 VanDerWaalsContact CB-OD2 3.29Å; N806-D852 WeakPolarHBondContact CB-OD2 3.42Å; N806-D852 PolarHBondContact N-OD2 2.65Å; N806-D852 PolarHBondContact ND2-OD2 3.37Å; N806-D852 PolarHBondContact OD1-OD2 2.93Å; N806-A881 HydrophobicContact CB-CB 4.32Å
807	E	95.6	Very high	96.8	Very high	68 Å²	68	25.5 Å²	25.5	32%	0.318	12%	0.123	S	C	.	.	S	Bend	trans	58.4	21.4	179	-37.7	-155.8	142.2	0	0	115.9	K737 R803 S804 H805 Y824	K737-E807 VanDerWaalsContact CE-OE1 3.29Å; K737-E807 WeakPolarHBondContact CE-OE1 3.42Å; K737-E807 IonicContact NZ-OE1 3.69Å; K737-E807 PolarHBondContact NZ-OE1 3.23Å; K737-E807 IonicContact NZ-OE2 2.68Å; R803-E807 VanDerWaalsContact CZ-CD 3.47Å; R803-E807 VanDerWaalsContact CZ-CG 3.49Å; R803-E807 IonicContact CZ-OE1 2.7Å; R803-E807 IonicContact NH1-OE1 2.69Å; R803-E807 PolarHBondContact NH1-OE1 2.79Å; R803-E807 IonicContact NH1-OE2 3.78Å; R803-E807 PolarHBondContact NH1-OE2 2.53Å; R803-E807 IonicContact NH2-OE1 3.08Å; R803-E807 PolarHBondContact NH2-OE1 3.03Å; S804-E807 PolarHBondContact O-N 3.04Å; S804-E807 VanDerWaalsContact O-N 3.14Å; H805-E807 PolarHBondContact O-N 3.29Å; E807-Y824 HydrophobicContact CB-CD1 4.49Å; E807-Y824 HydrophobicContact CB-CE1 4.5Å; E807-Y824 WeakPolarHBondContact O-CD1 3.46Å
808	R	94.7	Very high	97	Very high	86 Å²	86	26.5 Å²	26.5	33%	0.325	13%	0.126	S	C	.	.	S	Bend	trans	-93.8	-32.4	-177.8	-70.5	172.3	45.8	144.5	3.5	115.9	E247 S804 N806 Y824	E247-R808 WeakPolarHBondContact OE1-CB 3.43Å; E247-R808 IonicContact OE1-CZ 3.52Å; E247-R808 IonicContact OE1-NE 3.67Å; E247-R808 PolarHBondContact OE1-NE 2.91Å; E247-R808 IonicContact OE1-NH2 2.66Å; E247-R808 PolarHBondContact OE1-NH2 2.94Å; E247-R808 VanDerWaalsContact OE1-NH2 3.1Å; E247-R808 IonicContact OE2-CZ 3.87Å; E247-R808 IonicContact OE2-NE 3.28Å; E247-R808 IonicContact OE2-NH2 2.85Å; E247-R808 PolarHBondContact OE2-NH2 3.2Å; S804-R808 PolarHBondContact OG-N 3.28Å; N806-R808 VanDerWaalsContact C-N 3.25Å; N806-R808 PolarHBondContact O-N 3.3Å; N806-R808 VanDerWaalsContact OD1-CB 3.31Å; N806-R808 WeakPolarHBondContact OD1-CB 3.32Å; N806-R808 PolarHBondContact OD1-N 2.88Å; R808-Y824 PolarHBondContact O-N 2.86Å
809	V	97.4	Very high	97.1	Very high	2 Å²	2	26 Å²	26	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	161.5	-172.9	-68.8	0	0	0	0	111.9	P245 E247 R803 S804 L821 F822 F848	P245-V809 HydrophobicContact CB-CG1 3.83Å; E247-V809 HydrophobicContact CB-CG1 4.3Å; E247-V809 HydrophobicContact CG-CG1 4.39Å; R803-V809 WeakPolarHBondContact CA-O 3.49Å; R803-V809 WeakPolarHBondContact CG-O 3.44Å; S804-V809 PolarHBondContact N-O 3.14Å; S804-V809 PolarHBondContact OG-N 3.28Å; S804-V809 VanDerWaalsContact OG-N 3.1Å; S804-V809 PolarHBondContact OG-O 3.3Å; V809-L821 HydrophobicContact CB-CD1 3.94Å; V809-L821 HydrophobicContact CB-CG 4.32Å; V809-L821 HydrophobicContact CG2-CD1 4Å; V809-F822 WeakPolarHBondContact CA-O 3.42Å; V809-F822 WeakPolarHBondContact CB-O 3.23Å; V809-F848 HydrophobicContact CG2-CE1 4.48Å; V809-F848 HydrophobicContact CG2-CZ 3.88Å
810	V	98.1	Very high	97.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.6	174.1	61.6	0	0	0	0	110.2	V785 V788 L801 C802 R803 F822 C826	V785-V810 HydrophobicContact CG1-CG2 4.48Å; V788-V810 HydrophobicContact CG1-CG1 4.17Å; L801-V810 HydrophobicContact CD1-CG2 3.8Å; L801-V810 HydrophobicContact CD2-CG2 3.59Å; L801-V810 HydrophobicContact CG-CG2 3.5Å; L801-V810 VanDerWaalsContact CG-CG2 3.5Å; C802-V810 WeakPolarHBondContact O-CA 3.41Å; R803-V810 HydrophobicContact CB-CG2 4.5Å; V810-F822 HydrophobicContact CG1-CB 3.8Å; V810-F822 PolarHBondContact N-O 2.73Å; V810-F822 PolarHBondContact O-N 3.48Å; V810-C826 HydrophobicContact CG1-CB 3.91Å
811	A	98.7	Very high	97.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	145.4	173.5	0	0	0	0	0	110.3	L801 C802 H820 L821 V846 F848 L855	L801-A811 CarbonylContact C-O 3.49Å; L801-A811 WeakPolarHBondContact CA-O 3.31Å; C802-A811 PolarHBondContact N-O 2.88Å; C802-A811 PolarHBondContact O-N 2.92Å; A811-H820 CarbonylContact C-O 3.57Å; A811-H820 VanDerWaalsContact CA-O 3.29Å; A811-H820 WeakPolarHBondContact CA-O 3.47Å; A811-L821 HydrophobicContact CB-CD1 4.23Å; A811-V846 HydrophobicContact CB-CB 4.47Å; A811-V846 HydrophobicContact CB-CG2 4.46Å; A811-F848 HydrophobicContact CB-CE2 3.75Å; A811-F848 HydrophobicContact CB-CZ 3.88Å; A811-L855 HydrophobicContact CB-CD1 3.49Å; A811-L855 VanDerWaalsContact CB-CD1 3.49Å; A811-L855 HydrophobicContact CB-CD2 3.71Å; A811-L855 HydrophobicContact CB-CG 4.28Å
812	V	98.6	Very high	97.1	Very high	3 Å²	3	26 Å²	26	2%	0.018	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	140.3	-174.5	174.1	0	0	0	0	109.5	V788 I798 S800 L801 V819 H820 F822	V788-V812 HydrophobicContact CB-CG2 4.01Å; V788-V812 HydrophobicContact CG1-CG2 3.8Å; V788-V812 HydrophobicContact CG2-CG2 4.35Å; I798-V812 HydrophobicContact CD1-CG1 3.95Å; I798-V812 HydrophobicContact CG1-CG1 4.12Å; I798-V812 HydrophobicContact CG2-CG1 3.66Å; S800-V812 WeakPolarHBondContact O-CA 3.18Å; L801-V812 HydrophobicContact CD1-CG2 4.03Å; L801-V812 HydrophobicContact CG-CG2 4.21Å; V812-V819 WeakPolarHBondContact O-CA 3.14Å; V812-H820 HydrophobicContact CB-CB 4.14Å; V812-H820 PolarHBondContact N-O 2.59Å; V812-H820 PolarHBondContact O-N 3.13Å; V812-F822 HydrophobicContact CB-CE2 4.13Å; V812-F822 HydrophobicContact CG2-CD2 4.02Å; V812-F822 HydrophobicContact CG2-CE2 3.89Å
813	A	98.2	Very high	97	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.4	179.2	0	0	0	0	0	110	N799 S800 V843 V846	N799-A813 PolarHBondContact N-O 3.08Å; S800-A813 PolarHBondContact O-N 2.89Å; A813-V843 HydrophobicContact CB-CB 3.81Å; A813-V843 HydrophobicContact CB-CG1 3.64Å; A813-V843 WeakPolarHBondContact CB-O 3.27Å; A813-V846 HydrophobicContact CB-CB 4.42Å; A813-V846 HydrophobicContact CB-CG1 3.88Å; A813-V846 HydrophobicContact CB-CG2 3.9Å
814	D	96.1	Very high	96.8	Very high	11 Å²	11	28.5 Å²	28.5	6%	0.059	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	162.4	-174.3	79.6	9.5	0	0	0	114.8	D797 F816 C817 K818 H820 V843	D797-D814 VanDerWaalsContact O-CA 3.28Å; D797-D814 WeakPolarHBondContact O-CA 3.22Å; D797-D814 WeakPolarHBondContact O-CB 3.35Å; D814-F816 HydrophobicContact CB-CD2 4.28Å; D814-F816 PolarHBondContact O-N 2.91Å; D814-F816 WeakPolarHBondContact OD1-CA 3.34Å; D814-F816 PolarHBondContact OD1-N 2.83Å; D814-C817 PolarHBondContact OD1-N 3.04Å; D814-C817 VanDerWaalsContact OD1-N 3.08Å; D814-K818 PolarHBondContact N-O 2.9Å; D814-K818 WeakPolarHBondContact OD1-CA 3.18Å; D814-K818 WeakPolarHBondContact OD1-CB 3.44Å; D814-K818 PolarHBondContact OD1-N 2.86Å; D814-H820 IonicContact OD2-CD2 2.73Å; D814-H820 IonicContact OD2-NE2 2.66Å; D814-V843 PolarHBondContact O-N 3.06Å
815	D	94.7	Very high	96.7	Very high	46 Å²	46	29.8 Å²	29.8	25%	0.246	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.7	173.1	-100.8	6.3	0	0	0	113	D797 N799 C817 H842	D797-D815 PolarHBondContact O-N 2.9Å; N799-D815 PolarHBondContact ND2-OD1 2.82Å; D815-C817 PolarHBondContact O-N 2.87Å; D815-H842 PolarHBondContact O-ND1 2.85Å; D815-H842 WeakPolarHBondContact OD1-CB 3.44Å; D815-H842 IonicContact OD1-CD2 3.23Å; D815-H842 IonicContact OD1-CG 4Å; D815-H842 VanDerWaalsContact OD1-CG 3.28Å; D815-H842 IonicContact OD1-ND1 2.97Å
816	F	94.4	Very high	96.6	Very high	66 Å²	66	25.3 Å²	25.3	29%	0.289	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	16.2	-178.7	-48.7	-61	0	0	0	113.5	K331 D797 D814 K818	K331-F816 HydrophobicContact CB-CB 4.05Å; K331-F816 HydrophobicContact CB-CD1 3.5Å; K331-F816 VanDerWaalsContact CB-CD1 3.5Å; K331-F816 HydrophobicContact CB-CD2 3.87Å; K331-F816 HydrophobicContact CB-CE1 3.85Å; K331-F816 HydrophobicContact CB-CE2 4.19Å; K331-F816 HydrophobicContact CB-CG 3.5Å; K331-F816 HydrophobicContact CB-CZ 4.19Å; D797-F816 HydrophobicContact CB-CE2 3.98Å; D797-F816 HydrophobicContact CB-CZ 4.24Å; D797-F816 VanDerWaalsContact OD1-CZ 3.31Å; D797-F816 WeakPolarHBondContact OD1-CZ 3.4Å; D814-F816 HydrophobicContact CB-CD2 4.28Å; D814-F816 PolarHBondContact O-N 2.91Å; D814-F816 WeakPolarHBondContact OD1-CA 3.34Å; D814-F816 PolarHBondContact OD1-N 2.83Å; F816-K818 PolarHBondContact O-NZ 3.08Å
817	C	95.8	Very high	96.5	Very high	28 Å²	28	24.1 Å²	24.1	19%	0.189	11%	0.114	C	C	.	.	S	Bend	trans	64.4	39.1	178.1	-36.4	0	0	0	0	112.8	D814 D815 H839 S841	D814-C817 PolarHBondContact OD1-N 3.04Å; D814-C817 VanDerWaalsContact OD1-N 3.08Å; D815-C817 PolarHBondContact O-N 2.87Å; C817-H839 WeakPolarHBondContact CB-O 3.39Å; C817-S841 WeakPolarHBondContact CA-O 3.2Å; C817-S841 VanDerWaalsContact CB-O 3.28Å; C817-S841 WeakPolarHBondContact CB-O 3.46Å; C817-S841 VanDerWaalsContact SG-CA 3.52Å; C817-S841 PolarHBondContact SG-O 3.27Å
818	K	96.9	Very high	96.1	Very high	48 Å²	48	24.5 Å²	24.5	21%	0.209	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147	178.8	-51.3	-65.5	158.2	-69.7	0	112.3	D814 F816 M835 Y836 V843	D814-K818 PolarHBondContact N-O 2.9Å; D814-K818 WeakPolarHBondContact OD1-CA 3.18Å; D814-K818 WeakPolarHBondContact OD1-CB 3.44Å; D814-K818 PolarHBondContact OD1-N 2.86Å; F816-K818 PolarHBondContact O-NZ 3.08Å; K818-M835 HydrophobicContact CB-CG 3.95Å; K818-M835 HydrophobicContact CD-CG 3.94Å; K818-M835 HydrophobicContact CD-SD 3.86Å; K818-M835 HydrophobicContact CG-CE 4.35Å; K818-M835 HydrophobicContact CG-CG 3.93Å; K818-M835 HydrophobicContact CG-SD 3.92Å; K818-Y836 WeakPolarHBondContact CA-O 3.49Å; K818-V843 WeakPolarHBondContact O-CG2 3.44Å
819	V	98.4	Very high	95.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131	160.3	175.4	0	0	0	0	107.4	L249 V812 Y836 V843 V846 L855 W868	L249-V819 HydrophobicContact CD1-CG1 3.94Å; V812-V819 WeakPolarHBondContact O-CA 3.14Å; V819-Y836 PolarHBondContact N-O 2.96Å; V819-Y836 WeakPolarHBondContact O-CD2 3.28Å; V819-Y836 PolarHBondContact O-N 3.4Å; V819-V843 HydrophobicContact CG2-CG1 4.06Å; V819-V846 HydrophobicContact CG1-CG1 4.31Å; V819-V846 HydrophobicContact CG2-CG1 4.25Å; V819-L855 HydrophobicContact CG1-CD2 3.66Å; V819-W868 HydrophobicContact CB-CZ2 4.44Å; V819-W868 HydrophobicContact CG2-CZ2 4.02Å
820	H	98.2	Very high	95.3	Very high	25 Å²	25	30.7 Å²	30.7	12%	0.116	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.7	172.8	-79.7	-110.9	0	0	0	110.5	A811 V812 D814 F822 S833 R834 M835	A811-H820 CarbonylContact C-O 3.57Å; A811-H820 VanDerWaalsContact CA-O 3.29Å; A811-H820 WeakPolarHBondContact CA-O 3.47Å; V812-H820 HydrophobicContact CB-CB 4.14Å; V812-H820 PolarHBondContact N-O 2.59Å; V812-H820 PolarHBondContact O-N 3.13Å; D814-H820 IonicContact OD2-CD2 2.73Å; D814-H820 IonicContact OD2-NE2 2.66Å; H820-F822 HydrophobicContact CB-CD2 4.22Å; H820-F822 HydrophobicContact CB-CE2 3.59Å; H820-F822 HydrophobicContact CB-CZ 4.33Å; H820-S833 PolarHBondContact ND1-OG 3.42Å; H820-R834 WeakPolarHBondContact CA-O 3.22Å; H820-M835 VanDerWaalsContact CE1-CE 3.43Å; H820-M835 WeakPolarHBondContact CE1-CE 3.48Å; H820-M835 WeakPolarHBondContact NE2-CE 3.38Å
821	L	98.3	Very high	95	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.5	168.6	-168	71.5	0	0	0	109.2	P245 E247 L249 V809 A811 S833 R834 Y836 F848	P245-L821 HydrophobicContact CB-CD2 4.23Å; P245-L821 HydrophobicContact CB-CG 4.23Å; P245-L821 HydrophobicContact CG-CB 4.3Å; P245-L821 HydrophobicContact CG-CD2 4.18Å; P245-L821 HydrophobicContact CG-CG 4.09Å; P245-L821 WeakPolarHBondContact CG-O 3.28Å; E247-L821 HydrophobicContact CB-CD2 4.1Å; E247-L821 WeakPolarHBondContact O-CD2 3.44Å; L249-L821 HydrophobicContact CD2-CD2 4.35Å; L249-L821 HydrophobicContact CG-CD2 4.28Å; V809-L821 HydrophobicContact CB-CD1 3.94Å; V809-L821 HydrophobicContact CB-CG 4.32Å; V809-L821 HydrophobicContact CG2-CD1 4Å; A811-L821 HydrophobicContact CB-CD1 4.23Å; L821-S833 CarbonylContact O-C 3.56Å; L821-S833 WeakPolarHBondContact O-CA 3.29Å; L821-S833 WeakPolarHBondContact O-CB 3.44Å; L821-R834 PolarHBondContact N-O 3.36Å; L821-R834 PolarHBondContact O-N 3.41Å; L821-Y836 HydrophobicContact CB-CE2 3.94Å; L821-F848 HydrophobicContact CD1-CZ 3.93Å
822	F	97.6	Very high	94.8	Very high	9 Å²	9	34.1 Å²	34.1	4%	0.039	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	160.4	175.7	-58.9	-106.3	0	0	0	110.2	V788 V809 V810 V812 H820 C826 A831 S833	V788-F822 HydrophobicContact CB-CD2 4.22Å; V788-F822 HydrophobicContact CB-CE1 4.32Å; V788-F822 HydrophobicContact CB-CE2 3.77Å; V788-F822 HydrophobicContact CB-CZ 3.83Å; V788-F822 HydrophobicContact CG1-CD1 4.32Å; V788-F822 HydrophobicContact CG1-CD2 3.68Å; V788-F822 HydrophobicContact CG1-CE1 4.4Å; V788-F822 HydrophobicContact CG1-CE2 3.78Å; V788-F822 HydrophobicContact CG1-CG 3.96Å; V788-F822 HydrophobicContact CG1-CZ 4.15Å; V809-F822 WeakPolarHBondContact CA-O 3.42Å; V809-F822 WeakPolarHBondContact CB-O 3.23Å; V810-F822 HydrophobicContact CG1-CB 3.8Å; V810-F822 PolarHBondContact N-O 2.73Å; V810-F822 PolarHBondContact O-N 3.48Å; V812-F822 HydrophobicContact CB-CE2 4.13Å; V812-F822 HydrophobicContact CG2-CD2 4.02Å; V812-F822 HydrophobicContact CG2-CE2 3.89Å; H820-F822 HydrophobicContact CB-CD2 4.22Å; H820-F822 HydrophobicContact CB-CE2 3.59Å; H820-F822 HydrophobicContact CB-CZ 4.33Å; F822-C826 HydrophobicContact CB-CB 4.3Å; F822-A831 HydrophobicContact CD1-CB 3.91Å; F822-A831 HydrophobicContact CE1-CB 4.28Å; F822-A831 WeakPolarHBondContact CE1-O 3.31Å; F822-S833 VanDerWaalsContact CE1-CB 3.5Å; F822-S833 WeakPolarHBondContact CE1-OG 3.23Å; F822-S833 WeakPolarHBondContact CZ-OG 3.49Å
823	Q	96.3	Very high	94.6	Very high	55 Å²	55	36 Å²	36	26%	0.257	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	141.3	168	-166.6	169.6	6	0	0	110.3	P241 P825 C826	P241-Q823 HydrophobicContact CB-CB 4.49Å; P241-Q823 VanDerWaalsContact CB-CD 3.46Å; P241-Q823 HydrophobicContact CB-CG 3.97Å; P241-Q823 HydrophobicContact CG-CG 4.47Å; Q823-P825 CarbonylContact O-C 3.58Å; Q823-C826 WeakPolarHBondContact O-CA 3.45Å; Q823-C826 WeakPolarHBondContact O-CB 3.33Å; Q823-C826 PolarHBondContact O-N 3.33Å
824	Y	95.4	Very high	94.6	Very high	27 Å²	27	39.6 Å²	39.6	11%	0.106	21%	0.206	C	C	.	.	S	Bend	trans	-98.3	144.1	171.8	-178.4	-84.2	0	0	0	110.6	Y777 H784 V785 R803 E807 R808	Y777-Y824 HydrophobicContact CD2-CE2 4.04Å; Y777-Y824 HydrophobicContact CE2-CE2 4.06Å; Y777-Y824 AromaticContact CE2-CZ 3.93Å; Y777-Y824 WeakPolarHBondContact CE2-OH 3.49Å; Y777-Y824 HydrophobicContact CG-CE2 4.4Å; Y777-Y824 PolarHBondContact OH-OH 3.4Å; H784-Y824 HydrophobicContact CB-CE2 3.8Å; V785-Y824 HydrophobicContact CG1-CE2 4.45Å; R803-Y824 HydrophobicContact CB-CD2 4.45Å; R803-Y824 VanDerWaalsContact CD-CD2 3.46Å; R803-Y824 HydrophobicContact CG-CD2 3.63Å; R803-Y824 HydrophobicContact CG-CE2 4.01Å; R803-Y824 HydrophobicContact CG-CG 3.93Å; E807-Y824 HydrophobicContact CB-CD1 4.49Å; E807-Y824 HydrophobicContact CB-CE1 4.5Å; E807-Y824 WeakPolarHBondContact O-CD1 3.46Å; R808-Y824 PolarHBondContact O-N 2.86Å
825	P	95.1	Very high	94.6	Very high	27 Å²	27	44 Å²	44	18%	0.175	23%	0.227	C	C	.	.	S	Bend	cis	-70	131.6	-10.1	29.6	-35.3	0	0	0	111.7	L240 H784 Q823 A827	L240-P825 HydrophobicContact CD2-CG 4.03Å; H784-P825 HydrophobicContact CB-CB 4.25Å; H784-P825 CarbonylContact O-C 3.58Å; Q823-P825 CarbonylContact O-C 3.58Å; P825-A827 HydrophobicContact CB-CB 4.24Å; P825-A827 PolarHBondContact O-N 3.13Å
826	C	94.6	Very high	94.7	Very high	4 Å²	4	43 Å²	43	3%	0.027	22%	0.22	C	C	.	.			trans	-85.2	64.7	177.2	-166.4	0	0	0	0	109.4	H784 V785 Y786 G787 V788 V810 F822 Q823 A831	H784-C826 PolarHBondContact O-N 3.08Å; V785-C826 CarbonylContact C-O 3.34Å; V785-C826 WeakPolarHBondContact CA-O 3.29Å; Y786-C826 PolarHBondContact N-O 3.41Å; G787-C826 WeakPolarHBondContact CA-O 3.37Å; G787-C826 PolarHBondContact N-O 3.22Å; V788-C826 HydrophobicContact CG1-CB 4Å; V788-C826 PolarHBondContact N-SG 3.34Å; V810-C826 HydrophobicContact CG1-CB 3.91Å; F822-C826 HydrophobicContact CB-CB 4.3Å; Q823-C826 WeakPolarHBondContact O-CA 3.45Å; Q823-C826 WeakPolarHBondContact O-CB 3.33Å; Q823-C826 PolarHBondContact O-N 3.33Å; C826-A831 WeakPolarHBondContact SG-CB 3.35Å
827	A	92.7	Very high	94.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	22%	0.22	C	C	.	.			trans	-113.4	34.2	-167.2	0	0	0	0	0	112.9	L240 F783 Y786 P825	L240-A827 HydrophobicContact CD1-CB 3.84Å; F783-A827 HydrophobicContact CD1-CB 4.46Å; F783-A827 HydrophobicContact CE1-CB 3.91Å; F783-A827 HydrophobicContact CZ-CB 3.99Å; F783-A827 VanDerWaalsContact O-CB 3.25Å; F783-A827 WeakPolarHBondContact O-CB 3.41Å; Y786-A827 HydrophobicContact CE1-CB 4.34Å; Y786-A827 PolarHBondContact OH-O 2.92Å; P825-A827 HydrophobicContact CB-CB 4.24Å; P825-A827 PolarHBondContact O-N 3.13Å
828	R	88.9	Confident	94.8	Very high	75 Å²	75	40 Å²	40	28%	0.283	21%	0.213	S	C	.	.	S	Bend	trans	-136	137.5	174.9	-65.5	176.5	72.6	141.1	1.7	109.2	L237 E238 L240 P241 G787	L237-R828 PolarHBondContact O-NH1 3.22Å; E238-R828 PolarHBondContact O-NH1 3.27Å; L240-R828 HydrophobicContact CB-CG 4.12Å; L240-R828 WeakPolarHBondContact O-CD 3.44Å; L240-R828 PolarHBondContact O-NH1 2.91Å; P241-R828 VanDerWaalsContact O-CD 3.31Å; P241-R828 WeakPolarHBondContact O-CD 3.23Å; G787-R828 WeakPolarHBondContact CA-O 3.19Å
829	A	86.1	Confident	94.9	Very high	71 Å²	71	37.8 Å²	37.8	59%	0.587	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	144.5	176.5	0	0	0	0	0	111.1	Y786 A831	Y786-A829 HydrophobicContact CE2-CB 4.42Å; A829-A831 VanDerWaalsContact C-N 3.35Å
830	K	87.3	Confident	94.7	Very high	147 Å²	147	38.5 Å²	38.5	64%	0.639	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	40.4	-177.6	-40.3	-171.2	-166.3	-147.2	0	113.2	D791	D791-K830 WeakPolarHBondContact OD1-CE 3.31Å; D791-K830 IonicContact OD1-NZ 2.65Å; D791-K830 PolarHBondContact OD1-NZ 3.17Å; D791-K830 WeakPolarHBondContact OD2-CD 3.46Å; D791-K830 WeakPolarHBondContact OD2-CE 3.13Å; D791-K830 IonicContact OD2-NZ 3.46Å; D791-K830 PolarHBondContact OD2-NZ 3.15Å
831	A	91.9	Very high	94.6	Very high	21 Å²	21	38.3 Å²	38.3	17%	0.174	21%	0.212	C	C	.	.			trans	-61.3	136.4	178.9	0	0	0	0	0	111.1	G787 F822 C826 A829	G787-A831 WeakPolarHBondContact O-CB 3.36Å; G787-A831 PolarHBondContact O-N 2.88Å; F822-A831 HydrophobicContact CD1-CB 3.91Å; F822-A831 HydrophobicContact CE1-CB 4.28Å; F822-A831 WeakPolarHBondContact CE1-O 3.31Å; C826-A831 WeakPolarHBondContact SG-CB 3.35Å; A829-A831 VanDerWaalsContact C-N 3.35Å
832	P	94.5	Very high	94.5	Very high	52 Å²	52	41.3 Å²	41.3	34%	0.338	23%	0.226	S	C	.	.			trans	-71.4	134	177	29.7	-35.3	0	0	0	110.9	S242 G243 P244	S242-P832 WeakPolarHBondContact O-CG 3.39Å; G243-P832 VanDerWaalsContact C-CG 3.43Å; G243-P832 WeakPolarHBondContact O-CG 3.03Å; P244-P832 HydrophobicContact CB-CB 4.48Å
833	S	95.8	Very high	94.5	Very high	42 Å²	42	40.9 Å²	40.9	29%	0.294	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	159.1	172.7	39.4	0	0	0	0	112	H820 L821 F822	H820-S833 PolarHBondContact ND1-OG 3.42Å; L821-S833 CarbonylContact O-C 3.56Å; L821-S833 WeakPolarHBondContact O-CA 3.29Å; L821-S833 WeakPolarHBondContact O-CB 3.44Å; F822-S833 VanDerWaalsContact CE1-CB 3.5Å; F822-S833 WeakPolarHBondContact CE1-OG 3.23Å; F822-S833 WeakPolarHBondContact CZ-OG 3.49Å
834	R	96.8	Very high	94.7	Very high	76 Å²	76	38.4 Å²	38.4	29%	0.287	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125	160	-65.3	-179.5	174.1	155.2	-1.2	107.7	P245 P246 E247 H820 L821 Y836	P245-R834 HydrophobicContact CG-CB 4.4Å; P245-R834 HydrophobicContact CG-CG 3.99Å; P245-R834 PolarHBondContact O-NH1 3.13Å; P245-R834 PolarHBondContact O-NH2 3.46Å; P246-R834 VanDerWaalsContact C-NH1 3.29Å; P246-R834 PolarHBondContact O-NH1 3.11Å; E247-R834 PolarHBondContact O-NH1 3.19Å; H820-R834 WeakPolarHBondContact CA-O 3.22Å; L821-R834 PolarHBondContact N-O 3.36Å; L821-R834 PolarHBondContact O-N 3.41Å; R834-Y836 HydrophobicContact CB-CE2 3.82Å; R834-Y836 VanDerWaalsContact CB-OH 3.24Å; R834-Y836 WeakPolarHBondContact CB-OH 3.46Å; R834-Y836 VanDerWaalsContact O-CE2 3.26Å; R834-Y836 WeakPolarHBondContact O-CE2 3.49Å
835	M	96.1	Very high	94.8	Very high	103 Å²	103	37.3 Å²	37.3	51%	0.507	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.8	-177.1	178.7	-163.5	-81	0	0	110	K818 H820	K818-M835 HydrophobicContact CB-CG 3.95Å; K818-M835 HydrophobicContact CD-CG 3.94Å; K818-M835 HydrophobicContact CD-SD 3.86Å; K818-M835 HydrophobicContact CG-CE 4.35Å; K818-M835 HydrophobicContact CG-CG 3.93Å; K818-M835 HydrophobicContact CG-SD 3.92Å; H820-M835 VanDerWaalsContact CE1-CE 3.43Å; H820-M835 WeakPolarHBondContact CE1-CE 3.48Å; H820-M835 WeakPolarHBondContact NE2-CE 3.38Å
836	Y	97.7	Very high	95	Very high	24 Å²	24	36 Å²	36	9%	0.094	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.7	-179.3	-49.5	-86.5	0	0	0	110	T248 L249 K818 V819 L821 R834	T248-Y836 WeakPolarHBondContact CA-OH 3.44Å; L249-Y836 HydrophobicContact CB-CD1 4.06Å; L249-Y836 HydrophobicContact CB-CD2 4.16Å; L249-Y836 HydrophobicContact CB-CE1 3.75Å; L249-Y836 HydrophobicContact CB-CE2 3.86Å; L249-Y836 HydrophobicContact CB-CG 4.25Å; L249-Y836 HydrophobicContact CD1-CD2 3.74Å; L249-Y836 HydrophobicContact CD1-CE2 3.73Å; L249-Y836 HydrophobicContact CD1-CG 4.39Å; L249-Y836 HydrophobicContact CG-CD2 4.16Å; L249-Y836 HydrophobicContact CG-CE1 4.49Å; L249-Y836 HydrophobicContact CG-CE2 3.71Å; L249-Y836 PolarHBondContact N-OH 2.68Å; L249-Y836 VanDerWaalsContact O-CE1 3.26Å; L249-Y836 WeakPolarHBondContact O-CE1 3.32Å; K818-Y836 WeakPolarHBondContact CA-O 3.49Å; V819-Y836 PolarHBondContact N-O 2.96Å; V819-Y836 WeakPolarHBondContact O-CD2 3.28Å; V819-Y836 PolarHBondContact O-N 3.4Å; L821-Y836 HydrophobicContact CB-CE2 3.94Å; R834-Y836 HydrophobicContact CB-CE2 3.82Å; R834-Y836 VanDerWaalsContact CB-OH 3.24Å; R834-Y836 WeakPolarHBondContact CB-OH 3.46Å; R834-Y836 VanDerWaalsContact O-CE2 3.26Å; R834-Y836 WeakPolarHBondContact O-CE2 3.49Å
837	G	96.3	Very high	95.2	Very high	27 Å²	27	37.4 Å²	37.4	28%	0.278	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	159.9	174.6	0	0	0	0	0	113.1	R303	R303-G837 PolarHBondContact NE-O 2.74Å; R303-G837 PolarHBondContact NH2-O 3.06Å
838	G	96.8	Very high	95.5	Very high	5 Å²	5	37.4 Å²	37.4	5%	0.052	21%	0.206	C	C	.	.			trans	159.8	-37.1	176.5	0	0	0	0	0	112.5	A279 C280	A279-G838 WeakPolarHBondContact CB-O 3.24Å; C280-G838 VanDerWaalsContact CB-O 3.31Å; C280-G838 WeakPolarHBondContact CB-O 3.45Å; C280-G838 PolarHBondContact N-O 3.49Å
839	H	98.3	Very high	95.9	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.009	19%	0.194	C	C	.	.			trans	-61.7	149.4	162.1	-66.3	-55.6	0	0	0	111	C280 C817 V843 S857 G859 D862 S864 F866	C280-H839 PolarHBondContact SG-O 3.42Å; C817-H839 WeakPolarHBondContact CB-O 3.39Å; H839-V843 HydrophobicContact CB-CG2 4.01Å; H839-S857 PolarHBondContact NE2-OG 2.88Å; H839-G859 PolarHBondContact CE1-N 2.95Å; H839-G859 VanDerWaalsContact CE1-N 3.3Å; H839-G859 WeakPolarHBondContact ND1-CA 3.47Å; H839-G859 PolarHBondContact ND1-N 3.39Å; H839-D862 VanDerWaalsContact CA-OD2 3.27Å; H839-D862 WeakPolarHBondContact CA-OD2 3.44Å; H839-D862 WeakPolarHBondContact CB-OD2 3.35Å; H839-D862 IonicContact CG-OD2 2.87Å; H839-D862 IonicContact ND1-OD1 3.21Å; H839-D862 IonicContact ND1-OD2 2.8Å; H839-S864 PolarHBondContact CE1-OG 2.92Å; H839-S864 PolarHBondContact ND1-OG 3.31Å; H839-F866 AromaticContact CE1-CD1 3.26Å; H839-F866 WeakPolarHBondContact CE1-CD1 3.48Å; H839-F866 AromaticContact CE1-CE1 3.9Å; H839-F866 AromaticContact CE1-CG 3.54Å; H839-F866 AromaticContact ND1-CD1 3.6Å; H839-F866 AromaticContact ND1-CE1 3.74Å; H839-F866 AromaticContact NE2-CG 3.86Å
840	G	94.8	Very high	96.4	Very high	15 Å²	15	33.5 Å²	33.5	16%	0.155	18%	0.179	C	C	.	.	S	Bend	trans	-124.1	12.4	-177.4	0	0	0	0	0	113.4	C280 D862	C280-G840 WeakPolarHBondContact SG-CA 3.41Å; G840-D862 PolarHBondContact N-OD2 3.28Å
841	S	95.4	Very high	96.8	Very high	21 Å²	21	29.7 Å²	29.7	15%	0.147	17%	0.165	C	C	.	.	S	Bend	trans	-141.5	-179	158.5	-156.4	0	0	0	0	109	C817 V843 G859 D862	C817-S841 WeakPolarHBondContact CA-O 3.2Å; C817-S841 VanDerWaalsContact CB-O 3.28Å; C817-S841 WeakPolarHBondContact CB-O 3.46Å; C817-S841 VanDerWaalsContact SG-CA 3.52Å; C817-S841 PolarHBondContact SG-O 3.27Å; S841-V843 PolarHBondContact O-N 2.61Å; S841-G859 WeakPolarHBondContact CB-O 3.38Å; S841-D862 PolarHBondContact N-OD2 2.98Å
842	H	96	Very high	97.1	Very high	63 Å²	63	29 Å²	29	29%	0.292	16%	0.158	S	C	.	.			trans	-47.7	131.6	178.7	-45.4	-45.9	0	0	0	110.6	D815 T844 G859 G860	D815-H842 PolarHBondContact O-ND1 2.85Å; D815-H842 WeakPolarHBondContact OD1-CB 3.44Å; D815-H842 IonicContact OD1-CD2 3.23Å; D815-H842 IonicContact OD1-CG 4Å; D815-H842 VanDerWaalsContact OD1-CG 3.28Å; D815-H842 IonicContact OD1-ND1 2.97Å; H842-T844 PolarHBondContact O-N 3.07Å; H842-G859 CarbonylContact O-C 3.57Å; H842-G859 VanDerWaalsContact O-C 3.23Å; H842-G860 PolarHBondContact O-N 2.56Å
843	V	98.6	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.			trans	-80	112.3	173.6	-166.9	0	0	0	0	106.4	N799 A813 D814 K818 V819 H839 S841 L858	N799-V843 WeakPolarHBondContact CB-O 3.3Å; N799-V843 PolarHBondContact ND2-O 3.31Å; N799-V843 VanDerWaalsContact ND2-O 3.16Å; A813-V843 HydrophobicContact CB-CB 3.81Å; A813-V843 HydrophobicContact CB-CG1 3.64Å; A813-V843 WeakPolarHBondContact CB-O 3.27Å; D814-V843 PolarHBondContact O-N 3.06Å; K818-V843 WeakPolarHBondContact O-CG2 3.44Å; V819-V843 HydrophobicContact CG2-CG1 4.06Å; H839-V843 HydrophobicContact CB-CG2 4.01Å; S841-V843 PolarHBondContact O-N 2.61Å; V843-L858 CarbonylContact C-O 3.52Å; V843-L858 VanDerWaalsContact CA-O 3.28Å; V843-L858 WeakPolarHBondContact CA-O 3.31Å; V843-L858 VanDerWaalsContact CG1-O 3.3Å; V843-L858 WeakPolarHBondContact CG1-O 3.34Å
844	T	98.6	Very high	97.3	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	14%	0.14	C	C	.	.			trans	-90.6	-28.1	-168.6	50.1	0	0	0	0	113	L601 W602 S800 H842 L858	L601-T844 WeakPolarHBondContact O-CB 3.46Å; L601-T844 WeakPolarHBondContact O-CG2 3.29Å; L601-T844 PolarHBondContact O-OG1 3.05Å; W602-T844 HydrophobicContact CD2-CG2 3.85Å; W602-T844 HydrophobicContact CE3-CG2 3.98Å; W602-T844 HydrophobicContact CH2-CG2 3.75Å; W602-T844 HydrophobicContact CZ2-CG2 3.61Å; W602-T844 HydrophobicContact CZ3-CG2 3.93Å; S800-T844 WeakPolarHBondContact CB-O 3.49Å; H842-T844 PolarHBondContact O-N 3.07Å; T844-L858 PolarHBondContact N-O 2.5Å; T844-L858 WeakPolarHBondContact OG1-CB 3.49Å
845	S	98.6	Very high	97.4	Very high	5 Å²	5	22.9 Å²	22.9	4%	0.035	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	152.6	175.5	-156.2	0	0	0	0	113.7	S800 S857 L858	S800-S845 PolarHBondContact OG-OG 3.1Å; S845-S857 VanDerWaalsContact O-CA 3.25Å; S845-S857 WeakPolarHBondContact O-CA 3.45Å; S845-L858 PolarHBondContact O-N 3.02Å
846	V	98.8	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.1	173.2	-82.6	0	0	0	0	110.1	C802 A811 A813 V819 L855 V856	C802-V846 HydrophobicContact CB-CG2 4.4Å; C802-V846 VanDerWaalsContact CB-O 3.31Å; C802-V846 WeakPolarHBondContact CB-O 3.48Å; A811-V846 HydrophobicContact CB-CB 4.47Å; A811-V846 HydrophobicContact CB-CG2 4.46Å; A813-V846 HydrophobicContact CB-CB 4.42Å; A813-V846 HydrophobicContact CB-CG1 3.88Å; A813-V846 HydrophobicContact CB-CG2 3.9Å; V819-V846 HydrophobicContact CG1-CG1 4.31Å; V819-V846 HydrophobicContact CG2-CG1 4.25Å; V846-L855 HydrophobicContact CB-CD1 4.38Å; V846-L855 HydrophobicContact CG1-CD2 4.2Å; V846-V856 CarbonylContact C-O 3.58Å; V846-V856 VanDerWaalsContact CA-O 3.3Å; V846-V856 WeakPolarHBondContact CA-O 3.32Å
847	R	98.8	Very high	97.6	Very high	33 Å²	33	16.9 Å²	16.9	13%	0.125	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	138.8	173.4	-64.3	-64.8	176.1	-108.8	7.5	111.1	L604 T606 S800 L801 L855 V856	L604-R847 HydrophobicContact CB-CG 4.44Å; L604-R847 HydrophobicContact CD2-CB 3.93Å; L604-R847 HydrophobicContact CD2-CG 3.82Å; L604-R847 HydrophobicContact CG-CB 4.1Å; L604-R847 HydrophobicContact CG-CG 3.73Å; T606-R847 HydrophobicContact CG2-CB 4.03Å; S800-R847 PolarHBondContact OG-NH1 2.99Å; S800-R847 VanDerWaalsContact OG-NH1 3.11Å; L801-R847 PolarHBondContact O-NH1 2.97Å; R847-L855 WeakPolarHBondContact O-CD1 3.31Å; R847-V856 PolarHBondContact N-O 2.82Å; R847-V856 PolarHBondContact O-N 3.27Å
848	F	98.8	Very high	97.7	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	150.1	168.4	-73.9	-78.9	0	0	0	110.8	T606 C802 V809 A811 L821 H854 L855 V870	T606-F848 WeakPolarHBondContact CB-O 3.24Å; T606-F848 WeakPolarHBondContact CG2-O 3.42Å; T606-F848 PolarHBondContact OG1-O 2.82Å; C802-F848 HydrophobicContact CB-CD2 4.43Å; C802-F848 WeakPolarHBondContact O-CE2 3.4Å; V809-F848 HydrophobicContact CG2-CE1 4.48Å; V809-F848 HydrophobicContact CG2-CZ 3.88Å; A811-F848 HydrophobicContact CB-CE2 3.75Å; A811-F848 HydrophobicContact CB-CZ 3.88Å; L821-F848 HydrophobicContact CD1-CZ 3.93Å; F848-H854 CarbonylContact C-O 3.58Å; F848-H854 WeakPolarHBondContact CA-O 3.35Å; F848-L855 HydrophobicContact CD1-CB 4.22Å; F848-L855 HydrophobicContact CD1-CD1 3.78Å; F848-L855 HydrophobicContact CD2-CD1 3.87Å; F848-L855 HydrophobicContact CE1-CB 4.2Å; F848-L855 HydrophobicContact CE1-CD1 3.81Å; F848-L855 HydrophobicContact CE2-CD1 3.9Å; F848-L855 HydrophobicContact CG-CD1 3.81Å; F848-L855 HydrophobicContact CZ-CD1 3.87Å; F848-V870 HydrophobicContact CD1-CG2 4.18Å; F848-V870 HydrophobicContact CE1-CG2 3.88Å
849	T	98.4	Very high	97.8	Very high	6 Å²	6	15.3 Å²	15.3	4%	0.037	8%	0.082	C	C	.	.			trans	-68.1	157	164.2	52.3	0	0	0	0	110.2	H805 D851 D852 S853 H854	H805-T849 PolarHBondContact CD2-O 2.87Å; H805-T849 VanDerWaalsContact CD2-O 3.23Å; H805-T849 PolarHBondContact NE2-O 3.45Å; T849-D851 VanDerWaalsContact CB-OD1 3.3Å; T849-D851 WeakPolarHBondContact CB-OD1 3.4Å; T849-D851 PolarHBondContact O-N 3.09Å; T849-D851 PolarHBondContact OG1-OD1 2.85Å; T849-D852 PolarHBondContact O-N 3Å; T849-S853 PolarHBondContact OG1-N 2.72Å; T849-S853 PolarHBondContact OG1-OG 2.86Å; T849-H854 HydrophobicContact CG2-CB 3.89Å; T849-H854 PolarHBondContact N-O 2.92Å; T849-H854 PolarHBondContact OG1-N 2.83Å; T849-H854 PolarHBondContact OG1-O 2.79Å
850	H	96.9	Very high	97.8	Very high	58 Å²	58	15.2 Å²	15.2	27%	0.269	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-22.4	-175.2	71.9	-64.6	0	0	0	116.2	H607 P608 Q610 N611	H607-H850 WeakPolarHBondContact O-CB 3.22Å; P608-H850 WeakPolarHBondContact O-CB 3.31Å; Q610-H850 PolarHBondContact O-ND1 3.29Å; N611-H850 PolarHBondContact OD1-CE1 2.52Å; N611-H850 PolarHBondContact OD1-ND1 2.95Å
851	D	96.1	Very high	97.9	Very high	66 Å²	66	20.1 Å²	20.1	35%	0.353	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	4.4	-177.2	64.2	-13.9	0	0	0	113.5	T849 S853	T849-D851 VanDerWaalsContact CB-OD1 3.3Å; T849-D851 WeakPolarHBondContact CB-OD1 3.4Å; T849-D851 PolarHBondContact O-N 3.09Å; T849-D851 PolarHBondContact OG1-OD1 2.85Å; D851-S853 VanDerWaalsContact CG-CB 3.49Å; D851-S853 PolarHBondContact O-N 2.85Å; D851-S853 VanDerWaalsContact O-N 3.15Å; D851-S853 WeakPolarHBondContact OD1-CB 3.2Å; D851-S853 PolarHBondContact OD1-N 2.69Å; D851-S853 PolarHBondContact OD1-OG 2.97Å; D851-S853 WeakPolarHBondContact OD2-CB 3.07Å; D851-S853 PolarHBondContact OD2-OG 2.83Å
852	D	97.4	Very high	97.9	Very high	6 Å²	6	20 Å²	20	3%	0.032	10%	0.096	C	C	.	.	S	Bend	trans	55.9	12.2	-168.1	-65	-44	0	0	0	115.2	S804 H805 N806 T849 H854 V870	S804-D852 VanDerWaalsContact CA-OD1 3.26Å; S804-D852 WeakPolarHBondContact CA-OD1 3.49Å; S804-D852 VanDerWaalsContact CB-OD1 3.22Å; S804-D852 WeakPolarHBondContact CB-OD1 3.39Å; H805-D852 IonicContact CD2-OD1 3.68Å; H805-D852 PolarHBondContact CD2-OD1 2.85Å; H805-D852 IonicContact CG-OD1 3.1Å; H805-D852 VanDerWaalsContact N-CG 3.35Å; H805-D852 PolarHBondContact N-OD1 2.84Å; H805-D852 PolarHBondContact N-OD2 3Å; H805-D852 VanDerWaalsContact N-OD2 3.09Å; N806-D852 VanDerWaalsContact CB-OD2 3.29Å; N806-D852 WeakPolarHBondContact CB-OD2 3.42Å; N806-D852 PolarHBondContact N-OD2 2.65Å; N806-D852 PolarHBondContact ND2-OD2 3.37Å; N806-D852 PolarHBondContact OD1-OD2 2.93Å; T849-D852 PolarHBondContact O-N 3Å; D852-H854 VanDerWaalsContact C-N 3.31Å; D852-H854 PolarHBondContact O-N 2.88Å; D852-V870 VanDerWaalsContact O-CB 3.31Å; D852-V870 WeakPolarHBondContact O-CB 3.3Å; D852-V870 VanDerWaalsContact O-CG2 3.31Å; D852-V870 WeakPolarHBondContact O-CG2 3.45Å
853	S	96.5	Very high	98	Very high	21 Å²	21	17.2 Å²	17.2	15%	0.147	8%	0.084	C	C	.	.	S	Bend	trans	-68.6	-30.7	-177.8	69.1	0	0	0	0	113.2	T849 D851 V870	T849-S853 PolarHBondContact OG1-N 2.72Å; T849-S853 PolarHBondContact OG1-OG 2.86Å; D851-S853 VanDerWaalsContact CG-CB 3.49Å; D851-S853 PolarHBondContact O-N 2.85Å; D851-S853 VanDerWaalsContact O-N 3.15Å; D851-S853 WeakPolarHBondContact OD1-CB 3.2Å; D851-S853 PolarHBondContact OD1-N 2.69Å; D851-S853 PolarHBondContact OD1-OG 2.97Å; D851-S853 WeakPolarHBondContact OD2-CB 3.07Å; D851-S853 PolarHBondContact OD2-OG 2.83Å; S853-V870 PolarHBondContact O-N 2.7Å
854	H	98.3	Very high	98	Very high	22 Å²	22	17.2 Å²	17.2	10%	0.102	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	155.2	178.8	-62.5	81.8	0	0	0	112.3	D252 F848 T849 D852 Q867 W868 R869	D252-H854 IonicContact OD2-NE2 2.7Å; F848-H854 CarbonylContact C-O 3.58Å; F848-H854 WeakPolarHBondContact CA-O 3.35Å; T849-H854 HydrophobicContact CG2-CB 3.89Å; T849-H854 PolarHBondContact N-O 2.92Å; T849-H854 PolarHBondContact OG1-N 2.83Å; T849-H854 PolarHBondContact OG1-O 2.79Å; D852-H854 VanDerWaalsContact C-N 3.31Å; D852-H854 PolarHBondContact O-N 2.88Å; H854-Q867 HydrophobicContact CB-CG 4.23Å; H854-Q867 PolarHBondContact CD2-NE2 2.99Å; H854-W868 CarbonylContact C-O 3.53Å; H854-W868 WeakPolarHBondContact CA-O 3.5Å; H854-W868 WeakPolarHBondContact CB-O 3.25Å; H854-R869 VanDerWaalsContact CD2-CA 3.5Å; H854-R869 WeakPolarHBondContact CD2-CA 3.42Å
855	L	98.8	Very high	98	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.3	161.5	-173.2	79.2	0	0	0	108.1	L249 A811 V819 V846 R847 F848 W868	L249-L855 HydrophobicContact CD1-CD2 3.67Å; L249-L855 HydrophobicContact CD2-CB 4.34Å; A811-L855 HydrophobicContact CB-CD1 3.49Å; A811-L855 VanDerWaalsContact CB-CD1 3.49Å; A811-L855 HydrophobicContact CB-CD2 3.71Å; A811-L855 HydrophobicContact CB-CG 4.28Å; V819-L855 HydrophobicContact CG1-CD2 3.66Å; V846-L855 HydrophobicContact CB-CD1 4.38Å; V846-L855 HydrophobicContact CG1-CD2 4.2Å; R847-L855 WeakPolarHBondContact O-CD1 3.31Å; F848-L855 HydrophobicContact CD1-CB 4.22Å; F848-L855 HydrophobicContact CD1-CD1 3.78Å; F848-L855 HydrophobicContact CD2-CD1 3.87Å; F848-L855 HydrophobicContact CE1-CB 4.2Å; F848-L855 HydrophobicContact CE1-CD1 3.81Å; F848-L855 HydrophobicContact CE2-CD1 3.9Å; F848-L855 HydrophobicContact CG-CD1 3.81Å; F848-L855 HydrophobicContact CZ-CD1 3.87Å; L855-W868 HydrophobicContact CB-CB 4.3Å; L855-W868 PolarHBondContact N-O 3.17Å; L855-W868 PolarHBondContact O-N 2.89Å
856	V	98.9	Very high	98	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.4	169.3	-177.4	0	0	0	0	108.7	L604 F613 V846 R847 I865 F866	L604-V856 HydrophobicContact CD1-CB 4.26Å; L604-V856 HydrophobicContact CD1-CG1 3.75Å; L604-V856 HydrophobicContact CD2-CB 4.14Å; L604-V856 HydrophobicContact CD2-CG1 4.01Å; L604-V856 WeakPolarHBondContact CD2-O 3.31Å; F613-V856 HydrophobicContact CD1-CG2 3.89Å; F613-V856 HydrophobicContact CD2-CG1 4Å; F613-V856 HydrophobicContact CE1-CG2 4.17Å; F613-V856 HydrophobicContact CE2-CG1 4Å; F613-V856 HydrophobicContact CG-CG1 4.36Å; F613-V856 HydrophobicContact CG-CG2 4.08Å; F613-V856 HydrophobicContact CZ-CG1 4.33Å; V846-V856 CarbonylContact C-O 3.58Å; V846-V856 VanDerWaalsContact CA-O 3.3Å; V846-V856 WeakPolarHBondContact CA-O 3.32Å; R847-V856 PolarHBondContact N-O 2.82Å; R847-V856 PolarHBondContact O-N 3.27Å; V856-I865 HydrophobicContact CG1-CG2 3.51Å; V856-F866 CarbonylContact C-O 3.58Å; V856-F866 WeakPolarHBondContact CA-O 3.29Å
857	S	98.9	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.9	174.2	65.6	0	0	0	0	113.7	H839 S845 I865 F866 W868	H839-S857 PolarHBondContact NE2-OG 2.88Å; S845-S857 VanDerWaalsContact O-CA 3.25Å; S845-S857 WeakPolarHBondContact O-CA 3.45Å; S857-I865 WeakPolarHBondContact O-CA 3.47Å; S857-F866 PolarHBondContact N-O 3.48Å; S857-F866 PolarHBondContact O-N 3Å; S857-W868 PolarHBondContact OG-NE1 3.07Å
858	L	98.8	Very high	98	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.3	179.4	-54	-177.1	0	0	0	111.1	L601 G603 L604 T615 V843 T844 S845 G860 I865	L601-L858 HydrophobicContact CB-CB 4.21Å; L601-L858 HydrophobicContact CB-CD1 4.16Å; L601-L858 HydrophobicContact CD1-CD2 4.3Å; G603-L858 WeakPolarHBondContact O-CD1 3.45Å; L604-L858 HydrophobicContact CB-CD1 3.71Å; L604-L858 HydrophobicContact CB-CD2 4.43Å; L604-L858 HydrophobicContact CB-CG 4.04Å; L604-L858 HydrophobicContact CD2-CD2 4.5Å; L604-L858 HydrophobicContact CD2-CG 4.2Å; T615-L858 HydrophobicContact CG2-CD2 3.76Å; V843-L858 CarbonylContact C-O 3.52Å; V843-L858 VanDerWaalsContact CA-O 3.28Å; V843-L858 WeakPolarHBondContact CA-O 3.31Å; V843-L858 VanDerWaalsContact CG1-O 3.3Å; V843-L858 WeakPolarHBondContact CG1-O 3.34Å; T844-L858 PolarHBondContact N-O 2.5Å; T844-L858 WeakPolarHBondContact OG1-CB 3.49Å; S845-L858 PolarHBondContact O-N 3.02Å; L858-G860 VanDerWaalsContact C-N 3.3Å; L858-G860 PolarHBondContact O-N 2.83Å; L858-I865 HydrophobicContact CD2-CB 4.42Å; L858-I865 HydrophobicContact CD2-CG1 3.89Å; L858-I865 HydrophobicContact CD2-CG2 4.08Å
859	G	97.9	Very high	97.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.096	C	C	.	.			trans	-89.1	23.9	179.7	0	0	0	0	0	115.5	H839 S841 H842 K861 D862 S864	H839-G859 PolarHBondContact CE1-N 2.95Å; H839-G859 VanDerWaalsContact CE1-N 3.3Å; H839-G859 WeakPolarHBondContact ND1-CA 3.47Å; H839-G859 PolarHBondContact ND1-N 3.39Å; S841-G859 WeakPolarHBondContact CB-O 3.38Å; H842-G859 CarbonylContact O-C 3.57Å; H842-G859 VanDerWaalsContact O-C 3.23Å; G859-K861 PolarHBondContact O-N 3.08Å; G859-D862 VanDerWaalsContact CA-OD1 3.31Å; G859-D862 WeakPolarHBondContact CA-OD1 3.39Å; G859-D862 PolarHBondContact O-N 2.92Å; G859-S864 PolarHBondContact N-O 2.94Å
860	G	97.9	Very high	97.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	52.9	-114.1	178.3	0	0	0	0	0	112.6	E600 L601 H842 L858 D862 A863	E600-G860 WeakPolarHBondContact CA-O 3.37Å; L601-G860 PolarHBondContact N-O 3.39Å; L601-G860 VanDerWaalsContact N-O 3.08Å; H842-G860 PolarHBondContact O-N 2.56Å; L858-G860 VanDerWaalsContact C-N 3.3Å; L858-G860 PolarHBondContact O-N 2.83Å; G860-D862 VanDerWaalsContact C-N 3.29Å; G860-D862 PolarHBondContact O-N 3.47Å; G860-A863 PolarHBondContact O-N 2.95Å
861	K	97.4	Very high	97.7	Very high	117 Å²	117	19.8 Å²	19.8	51%	0.509	9%	0.093	S	C	.	.	G	3₁₀ helix	trans	-72.9	-10.9	-177	-61.2	178.3	175.6	75.7	0	115	E600 G859	E600-K861 HydrophobicContact CB-CG 3.97Å; E600-K861 HydrophobicContact CG-CG 3.75Å; E600-K861 WeakPolarHBondContact OE1-CE 3.48Å; E600-K861 WeakPolarHBondContact OE1-CG 3.5Å; E600-K861 IonicContact OE1-NZ 3.81Å; E600-K861 PolarHBondContact OE1-NZ 3.23Å; E600-K861 VanDerWaalsContact OE2-CE 3.29Å; E600-K861 WeakPolarHBondContact OE2-CE 3.45Å; E600-K861 IonicContact OE2-NZ 3.74Å; E600-K861 PolarHBondContact OE2-NZ 3.35Å; G859-K861 PolarHBondContact O-N 3.08Å
862	D	96.5	Very high	97.1	Very high	19 Å²	19	17.2 Å²	17.2	10%	0.102	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-78.7	-8.4	170.5	75.9	27.7	0	0	0	113.1	A279 H839 G840 S841 G859 G860 S864	A279-D862 HydrophobicContact CB-CB 4.03Å; A279-D862 VanDerWaalsContact CB-OD2 3.25Å; A279-D862 WeakPolarHBondContact CB-OD2 3.1Å; H839-D862 VanDerWaalsContact CA-OD2 3.27Å; H839-D862 WeakPolarHBondContact CA-OD2 3.44Å; H839-D862 WeakPolarHBondContact CB-OD2 3.35Å; H839-D862 IonicContact CG-OD2 2.87Å; H839-D862 IonicContact ND1-OD1 3.21Å; H839-D862 IonicContact ND1-OD2 2.8Å; G840-D862 PolarHBondContact N-OD2 3.28Å; S841-D862 PolarHBondContact N-OD2 2.98Å; G859-D862 VanDerWaalsContact CA-OD1 3.31Å; G859-D862 WeakPolarHBondContact CA-OD1 3.39Å; G859-D862 PolarHBondContact O-N 2.92Å; G860-D862 VanDerWaalsContact C-N 3.29Å; G860-D862 PolarHBondContact O-N 3.47Å; D862-S864 VanDerWaalsContact CG-OG 3.29Å; D862-S864 PolarHBondContact O-N 3.36Å; D862-S864 VanDerWaalsContact O-N 3.16Å; D862-S864 VanDerWaalsContact OD1-CB 3.26Å; D862-S864 WeakPolarHBondContact OD1-CB 3.32Å; D862-S864 PolarHBondContact OD1-N 3.49Å; D862-S864 PolarHBondContact OD1-OG 3.41Å; D862-S864 PolarHBondContact OD2-OG 2.93Å
863	A	97.6	Very high	95.6	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.033	11%	0.113	C	C	.	.			trans	58	16.4	178.7	0	0	0	0	0	115.5	H597 G860	H597-A863 HydrophobicContact CB-CB 4.47Å; H597-A863 WeakPolarHBondContact O-CB 3.38Å; G860-A863 PolarHBondContact O-N 2.95Å
864	S	98.3	Very high	93.8	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.149	C	C	.	.			trans	-91.1	150.5	177.3	70.5	0	0	0	0	112.9	H839 G859 D862 F866	H839-S864 PolarHBondContact CE1-OG 2.92Å; H839-S864 PolarHBondContact ND1-OG 3.31Å; G859-S864 PolarHBondContact N-O 2.94Å; D862-S864 VanDerWaalsContact CG-OG 3.29Å; D862-S864 PolarHBondContact O-N 3.36Å; D862-S864 VanDerWaalsContact O-N 3.16Å; D862-S864 VanDerWaalsContact OD1-CB 3.26Å; D862-S864 WeakPolarHBondContact OD1-CB 3.32Å; D862-S864 PolarHBondContact OD1-N 3.49Å; D862-S864 PolarHBondContact OD1-OG 3.41Å; D862-S864 PolarHBondContact OD2-OG 2.93Å; S864-F866 VanDerWaalsContact OG-CE1 3.27Å; S864-F866 WeakPolarHBondContact OG-CE1 3.49Å
865	I	98.8	Very high	91.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.2	166.8	-48.8	162.4	0	0	0	106.8	Y255 L601 F613 T615 W625 V856 S857 L858	Y255-I865 HydrophobicContact CD2-CB 4.09Å; Y255-I865 HydrophobicContact CD2-CG2 4.28Å; Y255-I865 HydrophobicContact CG-CB 4.36Å; Y255-I865 PolarHBondContact N-O 3.41Å; L601-I865 HydrophobicContact CD1-CG1 4.03Å; F613-I865 HydrophobicContact CE2-CD1 4.34Å; F613-I865 HydrophobicContact CE2-CG2 3.89Å; F613-I865 HydrophobicContact CZ-CG2 4.22Å; T615-I865 HydrophobicContact CG2-CD1 3.85Å; T615-I865 HydrophobicContact CG2-CG1 4.43Å; W625-I865 HydrophobicContact CD2-CD1 4.46Å; W625-I865 HydrophobicContact CZ2-CD1 3.77Å; V856-I865 HydrophobicContact CG1-CG2 3.51Å; S857-I865 WeakPolarHBondContact O-CA 3.47Å; L858-I865 HydrophobicContact CD2-CB 4.42Å; L858-I865 HydrophobicContact CD2-CG1 3.89Å; L858-I865 HydrophobicContact CD2-CG2 4.08Å
866	F	98.8	Very high	89.2	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.8	178.6	-82	44	0	0	0	108.8	L251 V254 A279 V281 H839 V856 S857 S864 W868	L251-F866 HydrophobicContact CD1-CB 4.07Å; L251-F866 HydrophobicContact CD1-CD2 3.43Å; L251-F866 VanDerWaalsContact CD1-CD2 3.43Å; L251-F866 HydrophobicContact CD1-CE2 4.15Å; L251-F866 HydrophobicContact CD1-CG 4.02Å; L251-F866 HydrophobicContact CD2-CD2 3.9Å; L251-F866 HydrophobicContact CD2-CE2 3.73Å; L251-F866 HydrophobicContact CG-CD2 4.34Å; V254-F866 HydrophobicContact CB-CD1 4.48Å; V254-F866 HydrophobicContact CB-CE1 4.36Å; V254-F866 HydrophobicContact CG1-CD1 3.95Å; V254-F866 HydrophobicContact CG1-CE1 3.58Å; V254-F866 HydrophobicContact CG1-CZ 4.17Å; V254-F866 HydrophobicContact CG2-CD1 4.02Å; V254-F866 HydrophobicContact CG2-CD2 4.1Å; V254-F866 HydrophobicContact CG2-CE1 3.88Å; V254-F866 HydrophobicContact CG2-CE2 3.95Å; V254-F866 HydrophobicContact CG2-CG 4.13Å; V254-F866 HydrophobicContact CG2-CZ 3.84Å; A279-F866 HydrophobicContact CB-CE1 4.4Å; A279-F866 HydrophobicContact CB-CZ 4.41Å; V281-F866 HydrophobicContact CB-CZ 4.25Å; V281-F866 HydrophobicContact CG2-CE2 3.81Å; V281-F866 HydrophobicContact CG2-CZ 3.67Å; H839-F866 AromaticContact CE1-CD1 3.26Å; H839-F866 WeakPolarHBondContact CE1-CD1 3.48Å; H839-F866 AromaticContact CE1-CE1 3.9Å; H839-F866 AromaticContact CE1-CG 3.54Å; H839-F866 AromaticContact ND1-CD1 3.6Å; H839-F866 AromaticContact ND1-CE1 3.74Å; H839-F866 AromaticContact NE2-CG 3.86Å; V856-F866 CarbonylContact C-O 3.58Å; V856-F866 WeakPolarHBondContact CA-O 3.29Å; S857-F866 PolarHBondContact N-O 3.48Å; S857-F866 PolarHBondContact O-N 3Å; S864-F866 VanDerWaalsContact OG-CE1 3.27Å; S864-F866 WeakPolarHBondContact OG-CE1 3.49Å; F866-W868 HydrophobicContact CB-CZ2 4.02Å; F866-W868 AromaticContact CD2-CH2 3.85Å; F866-W868 HydrophobicContact CD2-CH2 3.85Å; F866-W868 AromaticContact CD2-CZ2 3.56Å; F866-W868 HydrophobicContact CD2-CZ2 3.56Å; F866-W868 HydrophobicContact CE2-CH2 4.43Å; F866-W868 HydrophobicContact CE2-CZ2 4.48Å; F866-W868 HydrophobicContact CG-CZ2 4.22Å
867	Q	98.5	Very high	87	Confident	4 Å²	4	31 Å²	31	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.8	171.3	177.5	177.2	-10.8	0	0	108.5	D252 W253 Y255 G627 H630 H854	D252-Q867 WeakPolarHBondContact CA-O 3.42Å; D252-Q867 WeakPolarHBondContact CB-O 3.34Å; D252-Q867 PolarHBondContact N-O 2.86Å; W253-Q867 HydrophobicContact CB-CB 4.19Å; W253-Q867 PolarHBondContact N-O 2.95Å; W253-Q867 VanDerWaalsContact N-O 3.11Å; W253-Q867 PolarHBondContact O-N 3.46Å; Y255-Q867 HydrophobicContact CE2-CB 4.14Å; Y255-Q867 PolarHBondContact OH-OE1 3.25Å; Y255-Q867 VanDerWaalsContact OH-OE1 3.05Å; G627-Q867 PolarHBondContact O-NE2 3.06Å; G627-Q867 PolarHBondContact O-OE1 2.88Å; H630-Q867 PolarHBondContact ND1-OE1 2.88Å; H854-Q867 HydrophobicContact CB-CG 4.23Å; H854-Q867 PolarHBondContact CD2-NE2 2.99Å
868	W	98.4	Very high	84.8	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.8	-176.8	-46.5	82.7	0	0	0	110	L249 C250 L251 V819 H854 L855 S857 F866	L249-W868 HydrophobicContact CB-CB 4.11Å; L249-W868 HydrophobicContact CB-CE3 4.36Å; L249-W868 HydrophobicContact CD1-CB 4.28Å; L249-W868 HydrophobicContact CD1-CG 4.3Å; L249-W868 HydrophobicContact CD2-CB 4.35Å; L249-W868 HydrophobicContact CG-CB 4.48Å; C250-W868 CarbonylContact O-C 3.55Å; C250-W868 WeakPolarHBondContact O-CA 3.47Å; C250-W868 WeakPolarHBondContact O-CB 3.36Å; L251-W868 HydrophobicContact CB-CE3 3.93Å; L251-W868 HydrophobicContact CB-CZ3 3.92Å; L251-W868 HydrophobicContact CD1-CD2 4.11Å; L251-W868 HydrophobicContact CD1-CE3 3.95Å; L251-W868 HydrophobicContact CD1-CH2 4.41Å; L251-W868 HydrophobicContact CD1-CZ3 4.09Å; L251-W868 HydrophobicContact CG-CZ3 4.45Å; V819-W868 HydrophobicContact CB-CZ2 4.44Å; V819-W868 HydrophobicContact CG2-CZ2 4.02Å; H854-W868 CarbonylContact C-O 3.53Å; H854-W868 WeakPolarHBondContact CA-O 3.5Å; H854-W868 WeakPolarHBondContact CB-O 3.25Å; L855-W868 HydrophobicContact CB-CB 4.3Å; L855-W868 PolarHBondContact N-O 3.17Å; L855-W868 PolarHBondContact O-N 2.89Å; S857-W868 PolarHBondContact OG-NE1 3.07Å; F866-W868 HydrophobicContact CB-CZ2 4.02Å; F866-W868 AromaticContact CD2-CH2 3.85Å; F866-W868 HydrophobicContact CD2-CH2 3.85Å; F866-W868 AromaticContact CD2-CZ2 3.56Å; F866-W868 HydrophobicContact CD2-CZ2 3.56Å; F866-W868 HydrophobicContact CE2-CH2 4.43Å; F866-W868 HydrophobicContact CE2-CZ2 4.48Å; F866-W868 HydrophobicContact CG-CZ2 4.22Å
869	R	97.4	Very high	82.3	Confident	111 Å²	111	34.9 Å²	34.9	42%	0.419	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	126.7	173.5	-168.6	-179.7	-59.8	-109.9	-10	109.8	L249 C250 D252 H854 L871	L249-R869 WeakPolarHBondContact CA-O 3.36Å; C250-R869 HydrophobicContact CB-CB 4.48Å; C250-R869 PolarHBondContact N-O 2.96Å; C250-R869 PolarHBondContact O-N 2.66Å; D252-R869 HydrophobicContact CB-CB 4.16Å; D252-R869 IonicContact OD1-CZ 3.46Å; D252-R869 IonicContact OD1-NE 2.74Å; D252-R869 PolarHBondContact OD1-NE 3.3Å; D252-R869 IonicContact OD1-NH2 3.74Å; D252-R869 PolarHBondContact OD1-NH2 2.84Å; D252-R869 IonicContact OD2-CZ 3.23Å; D252-R869 IonicContact OD2-NE 3.21Å; D252-R869 IonicContact OD2-NH2 3.41Å; D252-R869 PolarHBondContact OD2-NH2 3.03Å; H854-R869 VanDerWaalsContact CD2-CA 3.5Å; H854-R869 WeakPolarHBondContact CD2-CA 3.42Å; R869-L871 HydrophobicContact CG-CD2 4.08Å
870	V	96.6	Very high	79.8	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.024	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.5	175.7	-176.8	0	0	0	0	108.6	E247 L249 F848 D852 S853	E247-V870 HydrophobicContact CB-CG1 4.19Å; E247-V870 HydrophobicContact CG-CG1 4.09Å; L249-V870 HydrophobicContact CD2-CG2 3.84Å; F848-V870 HydrophobicContact CD1-CG2 4.18Å; F848-V870 HydrophobicContact CE1-CG2 3.88Å; D852-V870 VanDerWaalsContact O-CB 3.31Å; D852-V870 WeakPolarHBondContact O-CB 3.3Å; D852-V870 VanDerWaalsContact O-CG2 3.31Å; D852-V870 WeakPolarHBondContact O-CG2 3.45Å; S853-V870 PolarHBondContact O-N 2.7Å
871	L	93.4	Very high	76.9	Confident	41 Å²	41	43.7 Å²	43.7	22%	0.215	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.4	-179.1	-58.1	176.2	0	0	0	109.8	E247 T248 C250 R869	E247-L871 CarbonylContact C-O 3.51Å; E247-L871 WeakPolarHBondContact CA-O 3.48Å; T248-L871 PolarHBondContact N-O 2.87Å; T248-L871 PolarHBondContact O-N 3.28Å; C250-L871 HydrophobicContact CB-CD1 3.98Å; R869-L871 HydrophobicContact CG-CD2 4.08Å
872	G	84.6	Confident	73.7	Confident	12 Å²	12	44 Å²	44	12%	0.124	33%	0.325	C	S	.	.			trans	-73.3	171.9	175.1	0	0	0	0	0	113.3	G874 G875 A876	G872-G874 PolarHBondContact O-N 2.7Å; G872-G874 VanDerWaalsContact O-N 3.08Å; G872-G875 PolarHBondContact O-N 3.28Å; G872-A876 PolarHBondContact N-O 3.27Å
873	A	66	Low	70.5	Confident	83 Å²	83	49 Å²	49	69%	0.686	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	114.1	173.7	0	0	0	0	0	110.3	P246	P246-A873 HydrophobicContact CB-CB 4.43Å
874	G	58.3	Low	67.2	Low	87 Å²	87	53.8 Å²	53.8	90%	0.897	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.9	1	-174	0	0	0	0	0	115.4	G872 A876	G872-G874 PolarHBondContact O-N 2.7Å; G872-G874 VanDerWaalsContact O-N 3.08Å; G874-A876 PolarHBondContact O-N 3.32Å
875	G	53	Low	63.8	Low	53 Å²	53	65.4 Å²	65.4	55%	0.546	44%	0.435	S	S	.	.	S	Bend	trans	84.5	1.4	172.6	0	0	0	0	0	115.8	G872	G872-G875 PolarHBondContact O-N 3.28Å
876	A	48.2	Very low	60.4	Low	67 Å²	67	70.6 Å²	70.6	55%	0.554	47%	0.467	S	S	*	.	S	Bend	trans	-67.4	166	162.9	0	0	0	0	0	110.9	G872 G874	G872-A876 PolarHBondContact N-O 3.27Å; G874-A876 PolarHBondContact O-N 3.32Å
877	G	52.1	Low	57	Low	48 Å²	48	76.2 Å²	76.2	50%	0.495	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-61.7	173.6	170.8	0	0	0	0	0	113.1	A879	G877-A879 PolarHBondContact O-N 3.34Å
878	P	51.5	Low	53.5	Low	29 Å²	29	81.1 Å²	81.1	19%	0.188	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-57	141.5	173.9	27.8	-36.4	0	0	0	110.2
879	A	47.3	Very low	50.3	Low	52 Å²	52	89 Å²	89	43%	0.43	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-65.6	129.3	171.7	0	0	0	0	0	108.3	G877	G877-A879 PolarHBondContact O-N 3.34Å
880	P	44.6	Very low	46.9	Very low	115 Å²	115	88.5 Å²	88.5	75%	0.747	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-59.4	147.1	-180	25.8	-34.7	0	0	0	109.9	T882	P880-T882 PolarHBondContact O-N 3.37Å
881	A	37.9	Very low	43.8	Very low	70 Å²	70	94.2 Å²	94.2	58%	0.579	63%	0.63	S	S	*	*			trans	-57.1	105.8	179.6	0	0	0	0	0	110.3	N806	N806-A881 HydrophobicContact CB-CB 4.32Å
882	T	30.6	Very low	40.7	Very low	125 Å²	125	97 Å²	97	77%	0.767	66%	0.66	S	S	*	*			trans	-60.7	123.5	170.1	47.9	0	0	0	0	107.5	P880 S884	P880-T882 PolarHBondContact O-N 3.37Å; T882-S884 PolarHBondContact O-N 3Å
883	P	28.8	Very low	38.1	Very low	122 Å²	122	101.2 Å²	101.2	79%	0.792	69%	0.687	S	S	*	*			trans	-55.6	129.9	177.9	23.6	-33.4	0	0	0	108.2	R885	P883-R885 PolarHBondContact O-N 2.88Å
884	S	27.9	Very low	36.6	Very low	105 Å²	105	102.6 Å²	102.6	73%	0.734	69%	0.692	S	S	*	*			trans	-59.4	107.5	-169.6	41.9	0	0	0	0	110.1	T882 T886	T882-S884 PolarHBondContact O-N 3Å; S884-T886 PolarHBondContact O-N 3.34Å
885	R	26.6	Very low	35.4	Very low	244 Å²	244	106.1 Å²	106.1	92%	0.921	69%	0.689	S	S	*	*			trans	-64.2	93.7	163.6	-103.5	-174.3	162.3	-165.8	-5.2	106.8	P883 P887	P883-R885 PolarHBondContact O-N 2.88Å; R885-P887 VanDerWaalsContact O-CD 3.32Å; R885-P887 WeakPolarHBondContact O-CD 3.37Å
886	T	28.1	Very low	34.4	Very low	111 Å²	111	110.9 Å²	110.9	68%	0.681	70%	0.702	S	S	*	*			trans	-50.6	121.7	167.5	40.4	0	0	0	0	108.1	S884 S888	S884-T886 PolarHBondContact O-N 3.34Å; T886-S888 VanDerWaalsContact C-N 3.34Å; T886-S888 PolarHBondContact O-N 3.05Å
887	P	27.6	Very low	33.8	Very low	117 Å²	117	118 Å²	118	76%	0.76	74%	0.739	S	S	*	*			trans	-63	105.8	161.3	-13.4	28.7	0	0	0	105	R885 L889	R885-P887 VanDerWaalsContact O-CD 3.32Å; R885-P887 WeakPolarHBondContact O-CD 3.37Å; P887-L889 VanDerWaalsContact C-N 3.27Å; P887-L889 PolarHBondContact O-N 2.97Å
888	S	25.5	Very low	32.9	Very low	107 Å²	107	121.6 Å²	121.6	75%	0.748	75%	0.751	S	S	*	*			trans	-69.1	90.5	-178.8	52.1	0	0	0	0	108.5	T886 S890	T886-S888 VanDerWaalsContact C-N 3.34Å; T886-S888 PolarHBondContact O-N 3.05Å; S888-S890 PolarHBondContact O-N 2.75Å
889	L	31.1	Very low	31.9	Very low	166 Å²	166	126.4 Å²	126.4	87%	0.869	78%	0.78	S	S	*	*			trans	-64.3	87.6	167.8	-74.1	172.5	0	0	0	107.8	P887	P887-L889 VanDerWaalsContact C-N 3.27Å; P887-L889 PolarHBondContact O-N 2.97Å
890	S	25.1	Very low	31	Very low	100 Å²	100	130.6 Å²	130.6	70%	0.699	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-50.6	129.5	171.1	50.9	0	0	0	0	109.2	S888 A892	S888-S890 PolarHBondContact O-N 2.75Å; S890-A892 PolarHBondContact O-N 2.68Å
891	P	31.2	Very low	30.2	Very low	124 Å²	124	131.5 Å²	131.5	81%	0.805	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-54.2	130.8	178.6	-25.8	34.2	0	0	0	110.8	S893	P891-S893 PolarHBondContact O-N 3.28Å
892	A	29.8	Very low	29.7	Very low	101 Å²	101	135.3 Å²	135.3	84%	0.835	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-62.4	125.8	174	0	0	0	0	0	109.1	S890 S894	S890-A892 PolarHBondContact O-N 2.68Å; A892-S894 PolarHBondContact O-N 3.25Å
893	S	29.8	Very low	29.7	Very low	100 Å²	100	136 Å²	136	70%	0.699	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-62.3	134	177	51.9	0	0	0	0	110.8	P891 L895	P891-S893 PolarHBondContact O-N 3.28Å; S893-L895 PolarHBondContact O-N 3.42Å
894	S	32.8	Very low	29.7	Very low	112 Å²	112	137 Å²	137	78%	0.783	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-55.9	134.1	165.4	49.3	0	0	0	0	110.6	A892	A892-S894 PolarHBondContact O-N 3.25Å
895	L	34.5	Very low	29.9	Very low	161 Å²	161	139.5 Å²	139.5	84%	0.843	83%	0.829	S	S	*	*			trans	-124.2	118.3	167	-90.6	166.3	0	0	0	108	S893	S893-L895 PolarHBondContact O-N 3.42Å
896	D	31.4	Very low	30.2	Very low	152 Å²	152	130.8 Å²	130.8	81%	0.813	82%	0.821	S	S	*	*			trans	-74.6	125.6	169.8	-54.9	-75.8	0	0	0	110.3
897	V	35	Very low	30.3	Very low	218 Å²	218	132.5 Å²	132.5	100%	1.321	83%	0.834	S	S	*	*			trans	-155.2	0	131.8	176.2	0	0	0	0	107.9

Retrieved 897 of 897 residues in 536.7 ms (Link to these results)

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