A0A077Z0X8_TRITR Loading...

Dipeptidyl peptidase 1

Thiol protease. Has dipeptidylpeptidase activity. Active against a broad range of dipeptide substrates composed of both polar and hydrophobic amino acids. Proline cannot occupy the P1 position and arginine cannot occupy the P2 position of the substrate. Can act as both an exopeptidase and endopeptidase. Activates serine proteases such as elastase, cathepsin G and granzymes A and B.

AlphaFold DB , UniProt , Accession A0A077Z0X8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 816 aa.

						>A0A077Z0X8_TRITR|A0A077Z0X8
MDTTAMDKLKRQFINNKDYIDAVNRAQSKWVATAYKEWETESFEDMIRKAGARKASKQEQKFNFQYFCSWPKPPPSSAETKRIAAALPEHFDWRNVSGVNYVSDVRDQHRCGSCYIFASVAVLESRYRILTQNEEKPTFSPQDVLNCSPYAQGCDGGFPFLIAGKHAEDFGMVTESCEPYTAHQFPCRNNRDVTPCERYYATNYQYVGGYYGASNEDLIKLAVYHNGPVAVGIQVYPDFYAYRSGIYHHVKDAMNFNTSPYGWNPFVAVDHAVTVVGYGVERGTKYWIVKNSWGKYWGENGYVKILRGTNECGIESLAFESTPIIPKMDQEVVHILLLLLLFYCSSTGADTPSNCSFDEVAGTWKFFESNRGLSKHTNCSSTNPDQFRHVQVMQLLFPNVAIDSYGNTGVWTLIVNQGFEVNVNNRKYFAFTEWTERSGHHAISICDKTRPGWAHDKYSRDWSCFAGQKIQRSHKLRSKRQYKQPVTEATTAESSFNRVNYQHPFYAEYRYINDLRFIEKINEVQSNWKATAYPQFEHLSRLEIVRKMGGPKSRIYSRPKPATVSERVKSLASELPENFDWRNVSGINYVSPVRSQGQCGSCYAFASAAMLESRYRILTENTYQPVFSPQDIVDCSPYSQGCDGGFPYLIGGKYAEDYGWVLEECSPYKGKKQDEQLCDVDRHCKRFYATDYAYVGGFYGGCNEPLMRLALVENGPIVVGMNVFDDFLHYKGGIYHHTKLKDTMNWPRKWNPYEITNHAVVIVGYGVDDQTDMDYWIVKNSWGTHWGEDGYFRIRRGVDECGIESSAFEATPIPTF
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.7	Very low	61.9	Low	130 Å²	130	84.6 Å²	84.6	64%	0.64	43%	0.426	S	S	*	.				0	145	0	-85.3	158.5	166	0	0	108.8	M6 Y261	M1-M6 HydrophobicContact CB-CE 3.98Å; M1-M6 HydrophobicContact CE-CE 4.37Å; M1-M6 HydrophobicContact CG-CE 4.12Å; M1-M6 HydrophobicContact SD-CE 3.09Å; M1-M6 WeakPolarHBondContact SD-CE 3.24Å; M1-Y261 WeakPolarHBondContact CE-O 3.41Å; M1-Y261 VanDerWaalsContact SD-O 3.4Å
2	D	52.9	Low	62.6	Low	107 Å²	107	84.8 Å²	84.8	57%	0.572	42%	0.424	S	S	*	.			trans	-66.4	140.4	172.3	-175.5	22.8	0	0	0	109.6	T4 A5	D2-T4 PolarHBondContact O-N 2.9Å; D2-T4 VanDerWaalsContact O-N 3.14Å; D2-T4 PolarHBondContact OD1-OG1 3.14Å; D2-T4 WeakPolarHBondContact OD2-CB 3.3Å; D2-T4 PolarHBondContact OD2-OG1 3.19Å; D2-A5 PolarHBondContact O-N 3.33Å
3	T	54.1	Low	63.2	Low	96 Å²	96	78.7 Å²	78.7	59%	0.589	39%	0.394	S	S	*	.	H	α-helix	trans	-56.1	-33.1	-177.5	49.4	0	0	0	0	111.1	A5 M6 D7	T3-A5 VanDerWaalsContact C-N 3.3Å; T3-A5 PolarHBondContact O-N 3.31Å; T3-M6 PolarHBondContact O-N 2.89Å; T3-D7 PolarHBondContact O-N 2.79Å; T3-D7 VanDerWaalsContact O-N 3.08Å
4	T	58.2	Low	64.4	Low	76 Å²	76	74.1 Å²	74.1	47%	0.466	37%	0.371	S	S	.	.	H	α-helix	trans	-59.8	-32.9	176.7	-18.9	0	0	0	0	114.1	D2 K8	D2-T4 PolarHBondContact O-N 2.9Å; D2-T4 VanDerWaalsContact O-N 3.14Å; D2-T4 PolarHBondContact OD1-OG1 3.14Å; D2-T4 WeakPolarHBondContact OD2-CB 3.3Å; D2-T4 PolarHBondContact OD2-OG1 3.19Å; T4-K8 WeakPolarHBondContact O-CG 3.27Å; T4-K8 PolarHBondContact O-N 2.58Å
5	A	61.2	Low	65.7	Low	41 Å²	41	71.6 Å²	71.6	34%	0.339	36%	0.359	S	S	.	.	H	α-helix	trans	-77.6	-38.1	179.1	0	0	0	0	0	111.9	D2 T3 K8 L9	D2-A5 PolarHBondContact O-N 3.33Å; T3-A5 VanDerWaalsContact C-N 3.3Å; T3-A5 PolarHBondContact O-N 3.31Å; A5-K8 PolarHBondContact O-N 3.3Å; A5-L9 PolarHBondContact O-N 2.87Å; A5-L9 VanDerWaalsContact O-N 3.16Å
6	M	63.8	Low	67.1	Low	22 Å²	22	69.6 Å²	69.6	11%	0.108	35%	0.35	C	S	.	.	H	α-helix	trans	-64.8	-43.9	176.2	-71.5	-70.1	113.4	0	0	111.3	M1 T3 K8 L9 K10 F43 I47 Y261	M1-M6 HydrophobicContact CB-CE 3.98Å; M1-M6 HydrophobicContact CE-CE 4.37Å; M1-M6 HydrophobicContact CG-CE 4.12Å; M1-M6 HydrophobicContact SD-CE 3.09Å; M1-M6 WeakPolarHBondContact SD-CE 3.24Å; T3-M6 PolarHBondContact O-N 2.89Å; M6-K8 VanDerWaalsContact C-N 3.29Å; M6-K8 PolarHBondContact O-N 2.94Å; M6-L9 HydrophobicContact CE-CD1 3.81Å; M6-L9 PolarHBondContact O-N 2.81Å; M6-K10 PolarHBondContact O-N 3.49Å; M6-F43 HydrophobicContact CB-CB 4.32Å; M6-F43 HydrophobicContact CB-CD1 3.93Å; M6-F43 HydrophobicContact CG-CD1 4.41Å; M6-F43 WeakPolarHBondContact O-CD1 3.28Å; M6-F43 HydrophobicContact SD-CD1 3.63Å; M6-F43 HydrophobicContact SD-CE1 4.03Å; M6-I47 HydrophobicContact SD-CD1 3.79Å; M6-Y261 HydrophobicContact CE-CD1 4.18Å; M6-Y261 HydrophobicContact SD-CD1 4.21Å
7	D	67.1	Low	68.4	Low	74 Å²	74	74.2 Å²	74.2	40%	0.396	37%	0.367	S	S	.	.	H	α-helix	trans	-63.3	-34.8	176.9	-77	-19.9	0	0	0	112.7	T3 R11	T3-D7 PolarHBondContact O-N 2.79Å; T3-D7 VanDerWaalsContact O-N 3.08Å; D7-R11 WeakPolarHBondContact O-CG 3.49Å; D7-R11 PolarHBondContact O-N 2.02Å; D7-R11 VanDerWaalsContact O-N 3.1Å
8	K	69.1	Low	69.5	Low	140 Å²	140	76.2 Å²	76.2	61%	0.609	38%	0.38	S	S	*	.	H	α-helix	trans	-63.1	-46.1	172.9	-77.7	178.1	-178.2	-178.9	0	111.5	T4 A5 M6 R11 Q12	T4-K8 WeakPolarHBondContact O-CG 3.27Å; T4-K8 PolarHBondContact O-N 2.58Å; A5-K8 PolarHBondContact O-N 3.3Å; M6-K8 VanDerWaalsContact C-N 3.29Å; M6-K8 PolarHBondContact O-N 2.94Å; K8-R11 PolarHBondContact O-N 3.31Å; K8-Q12 WeakPolarHBondContact O-CG 3.42Å; K8-Q12 PolarHBondContact O-N 2.81Å; K8-Q12 VanDerWaalsContact O-N 3.09Å
9	L	67.1	Low	70.3	Confident	18 Å²	18	72.6 Å²	72.6	9%	0.094	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-41.6	177.7	-71.4	164.6	0	0	0	111.6	A5 M6 R11 Q12 F13 F43 F256 P260	A5-L9 PolarHBondContact O-N 2.87Å; A5-L9 VanDerWaalsContact O-N 3.16Å; M6-L9 HydrophobicContact CE-CD1 3.81Å; M6-L9 PolarHBondContact O-N 2.81Å; L9-R11 VanDerWaalsContact C-N 3.34Å; L9-R11 PolarHBondContact O-N 3.03Å; L9-Q12 WeakPolarHBondContact O-CB 3.31Å; L9-Q12 PolarHBondContact O-N 3.46Å; L9-Q12 VanDerWaalsContact O-N 3.09Å; L9-F13 HydrophobicContact CD2-CE2 3.77Å; L9-F13 WeakPolarHBondContact O-CD2 3.42Å; L9-F13 PolarHBondContact O-N 2.75Å; L9-F13 VanDerWaalsContact O-N 3.13Å; L9-F43 HydrophobicContact CB-CD1 4.14Å; L9-F43 HydrophobicContact CB-CE1 3.38Å; L9-F43 HydrophobicContact CB-CZ 3.78Å; L9-F43 HydrophobicContact CD1-CE1 3.99Å; L9-F43 HydrophobicContact CG-CE1 4.35Å; L9-F256 HydrophobicContact CD2-CZ 4.29Å; L9-P260 HydrophobicContact CD1-CB 4.29Å; L9-P260 HydrophobicContact CD2-CB 3.94Å
10	K	70.6	Confident	71.3	Confident	31 Å²	31	69.6 Å²	69.6	14%	0.135	35%	0.346	C	S	.	.	H	α-helix	trans	-55	-50.4	173.6	-167.9	-171.6	174.9	-164	0	111.3	M6 Q12 F13 I14 W38 E39 E41 F43	M6-K10 PolarHBondContact O-N 3.49Å; K10-Q12 PolarHBondContact O-N 2.9Å; K10-F13 PolarHBondContact O-N 2.96Å; K10-I14 HydrophobicContact CG-CB 3.84Å; K10-I14 HydrophobicContact CG-CG1 3.93Å; K10-I14 HydrophobicContact CG-CG2 4.43Å; K10-I14 WeakPolarHBondContact O-CB 3.19Å; K10-I14 PolarHBondContact O-N 2.76Å; K10-W38 VanDerWaalsContact CE-O 3.29Å; K10-W38 WeakPolarHBondContact CE-O 3.47Å; K10-W38 PolarHBondContact NZ-O 2.76Å; K10-E39 PolarHBondContact NZ-O 3.24Å; K10-E39 VanDerWaalsContact NZ-O 3.09Å; K10-E41 WeakPolarHBondContact CE-O 3.39Å; K10-E41 PolarHBondContact NZ-O 3.25Å; K10-F43 HydrophobicContact CB-CB 3.87Å; K10-F43 HydrophobicContact CB-CD2 3.78Å; K10-F43 HydrophobicContact CB-CE2 4.48Å; K10-F43 HydrophobicContact CB-CG 3.87Å; K10-F43 HydrophobicContact CD-CB 4.43Å; K10-F43 HydrophobicContact CG-CB 4.3Å; K10-F43 HydrophobicContact CG-CD2 4.03Å; K10-F43 HydrophobicContact CG-CG 4.44Å
11	R	71.8	Confident	72.3	Confident	196 Å²	196	69 Å²	69	74%	0.74	35%	0.345	S	S	*	.	H	α-helix	trans	-63.9	-24.6	179.7	-70.3	176.3	-171.1	-172.1	3.7	113.2	D7 K8 L9 N16	D7-R11 WeakPolarHBondContact O-CG 3.49Å; D7-R11 PolarHBondContact O-N 2.02Å; D7-R11 VanDerWaalsContact O-N 3.1Å; K8-R11 PolarHBondContact O-N 3.31Å; L9-R11 VanDerWaalsContact C-N 3.34Å; L9-R11 PolarHBondContact O-N 3.03Å; R11-N16 PolarHBondContact O-ND2 3.22Å
12	Q	70.2	Confident	74.4	Confident	86 Å²	86	63.9 Å²	63.9	40%	0.402	32%	0.322	S	S	.	.	H	α-helix	trans	-76.7	-36.4	176.6	-76.2	174.7	-19.1	0	0	112.7	K8 L9 K10 N16	K8-Q12 WeakPolarHBondContact O-CG 3.42Å; K8-Q12 PolarHBondContact O-N 2.81Å; K8-Q12 VanDerWaalsContact O-N 3.09Å; L9-Q12 WeakPolarHBondContact O-CB 3.31Å; L9-Q12 PolarHBondContact O-N 3.46Å; L9-Q12 VanDerWaalsContact O-N 3.09Å; K10-Q12 PolarHBondContact O-N 2.9Å; Q12-N16 WeakPolarHBondContact O-CB 2.93Å; Q12-N16 VanDerWaalsContact O-CG 3.31Å
13	F	71.3	Confident	76.2	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-116.1	-43.9	-169.7	-56.5	-60.2	0	0	0	114.4	L9 K10 N15 Y19 P237 M254 F256	L9-F13 HydrophobicContact CD2-CE2 3.77Å; L9-F13 WeakPolarHBondContact O-CD2 3.42Å; L9-F13 PolarHBondContact O-N 2.75Å; L9-F13 VanDerWaalsContact O-N 3.13Å; K10-F13 PolarHBondContact O-N 2.96Å; F13-N15 PolarHBondContact O-N 3.17Å; F13-Y19 HydrophobicContact CB-CD1 4.28Å; F13-Y19 HydrophobicContact CB-CE1 4.21Å; F13-Y19 HydrophobicContact CD1-CD1 4.24Å; F13-Y19 AromaticContact CD1-CD2 3.69Å; F13-Y19 HydrophobicContact CD1-CD2 3.69Å; F13-Y19 HydrophobicContact CD1-CE1 4.07Å; F13-Y19 AromaticContact CD1-CE2 3.52Å; F13-Y19 HydrophobicContact CD1-CE2 3.52Å; F13-Y19 HydrophobicContact CD1-CG 4.05Å; F13-Y19 AromaticContact CD1-CZ 3.71Å; F13-Y19 HydrophobicContact CE1-CD2 4.17Å; F13-Y19 AromaticContact CE1-CE2 3.9Å; F13-Y19 HydrophobicContact CE1-CE2 3.9Å; F13-Y19 WeakPolarHBondContact O-CD1 3.42Å; F13-P237 HydrophobicContact CB-CB 3.92Å; F13-P237 HydrophobicContact CD1-CB 4.25Å; F13-P237 HydrophobicContact CD2-CB 4.25Å; F13-P237 HydrophobicContact CD2-CG 4.43Å; F13-P237 HydrophobicContact CG-CB 3.88Å; F13-P237 HydrophobicContact CG-CG 4.5Å; F13-M254 HydrophobicContact CE1-CB 4.06Å; F13-M254 HydrophobicContact CE1-SD 4.14Å; F13-F256 AromaticContact CZ-CD2 3.99Å; F13-F256 HydrophobicContact CZ-CD2 3.99Å; F13-F256 HydrophobicContact CZ-CE2 4.19Å
14	I	78.9	Confident	78.1	Confident	15 Å²	15	56.8 Å²	56.8	8%	0.077	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	118.8	-170.1	-55.1	-51.6	0	0	0	109.9	K10 N16 W38 F43 M46 Y240	K10-I14 HydrophobicContact CG-CB 3.84Å; K10-I14 HydrophobicContact CG-CG1 3.93Å; K10-I14 HydrophobicContact CG-CG2 4.43Å; K10-I14 WeakPolarHBondContact O-CB 3.19Å; K10-I14 PolarHBondContact O-N 2.76Å; I14-N16 PolarHBondContact O-N 3.47Å; I14-W38 HydrophobicContact CG2-CB 3.58Å; I14-W38 HydrophobicContact CG2-CG 4.18Å; I14-F43 HydrophobicContact CD1-CE2 4.47Å; I14-F43 HydrophobicContact CG1-CD2 4.22Å; I14-F43 HydrophobicContact CG1-CE2 4.04Å; I14-M46 HydrophobicContact CB-CE 4.34Å; I14-M46 HydrophobicContact CB-SD 4.37Å; I14-M46 HydrophobicContact CD1-CE 3.51Å; I14-M46 HydrophobicContact CD1-SD 4.31Å; I14-M46 HydrophobicContact CG1-CE 3.75Å; I14-M46 HydrophobicContact CG1-SD 3.88Å; I14-M46 HydrophobicContact CG2-CE 3.66Å; I14-M46 HydrophobicContact CG2-SD 3.76Å; I14-Y240 HydrophobicContact CD1-CD2 3.94Å; I14-Y240 HydrophobicContact CD1-CG 3.96Å
15	N	85.1	Confident	79.7	Confident	36 Å²	36	61.8 Å²	61.8	19%	0.193	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	16	-174.3	-63.9	-13.9	0	0	0	114.1	F13 K17 A34 Y35 E39	F13-N15 PolarHBondContact O-N 3.17Å; N15-K17 PolarHBondContact O-N 2.84Å; N15-A34 HydrophobicContact CB-CB 3.96Å; N15-A34 VanDerWaalsContact OD1-CA 3.25Å; N15-A34 WeakPolarHBondContact OD1-CA 3.21Å; N15-A34 WeakPolarHBondContact OD1-CB 3.44Å; N15-Y35 PolarHBondContact ND2-O 3.13Å; N15-Y35 PolarHBondContact OD1-N 3.33Å; N15-Y35 PolarHBondContact OD1-O 2.92Å; N15-E39 WeakPolarHBondContact ND2-CG 3.2Å
16	N	87.4	Confident	81.2	Confident	39 Å²	39	62.7 Å²	62.7	21%	0.209	30%	0.299	C	S	.	.			trans	-74.3	116.4	174.8	-177.2	-65.1	0	0	0	108.6	R11 Q12 I14 D18 Y19 I20	R11-N16 PolarHBondContact O-ND2 3.22Å; Q12-N16 WeakPolarHBondContact O-CB 2.93Å; Q12-N16 VanDerWaalsContact O-CG 3.31Å; I14-N16 PolarHBondContact O-N 3.47Å; N16-D18 PolarHBondContact O-N 3Å; N16-D18 WeakPolarHBondContact OD1-CB 2.89Å; N16-D18 PolarHBondContact OD1-N 3.44Å; N16-Y19 PolarHBondContact O-N 3.33Å; N16-Y19 PolarHBondContact OD1-N 3.3Å; N16-I20 WeakPolarHBondContact O-CG1 3.31Å; N16-I20 PolarHBondContact O-N 3.12Å
17	K	88.5	Confident	82.5	Confident	148 Å²	148	62.6 Å²	62.6	64%	0.643	30%	0.298	S	S	*	.	H	α-helix	trans	-60	-44.4	-177.3	178.6	169.7	177.5	158.7	0	112.4	N15 Y19 I20 D21	N15-K17 PolarHBondContact O-N 2.84Å; K17-Y19 VanDerWaalsContact C-N 3.31Å; K17-Y19 PolarHBondContact O-N 3.45Å; K17-I20 PolarHBondContact O-N 3.21Å; K17-D21 WeakPolarHBondContact CE-OD2 3.49Å; K17-D21 VanDerWaalsContact O-CB 3.32Å; K17-D21 WeakPolarHBondContact O-CB 3.36Å; K17-D21 VanDerWaalsContact O-CG 3.25Å; K17-D21 PolarHBondContact O-N 3.48Å
18	D	88.2	Confident	83.7	Confident	111 Å²	111	64.9 Å²	64.9	59%	0.594	32%	0.32	S	S	*	.	H	α-helix	trans	-64.6	-38.8	-178.1	-62.6	-33.7	0	0	0	111.4	N16 A22	N16-D18 PolarHBondContact O-N 3Å; N16-D18 WeakPolarHBondContact OD1-CB 2.89Å; N16-D18 PolarHBondContact OD1-N 3.44Å; D18-A22 WeakPolarHBondContact O-CB 3.33Å; D18-A22 PolarHBondContact O-N 3.42Å
19	Y	85.4	Confident	84.9	Confident	7 Å²	7	62.5 Å²	62.5	3%	0.027	31%	0.31	C	S	.	.	H	α-helix	trans	-66.2	-48.9	174.7	-179.4	-109.1	0	0	0	112.1	F13 N16 K17 D21 A22 V23 D238 A253 M254	F13-Y19 HydrophobicContact CB-CD1 4.28Å; F13-Y19 HydrophobicContact CB-CE1 4.21Å; F13-Y19 HydrophobicContact CD1-CD1 4.24Å; F13-Y19 AromaticContact CD1-CD2 3.69Å; F13-Y19 HydrophobicContact CD1-CD2 3.69Å; F13-Y19 HydrophobicContact CD1-CE1 4.07Å; F13-Y19 AromaticContact CD1-CE2 3.52Å; F13-Y19 HydrophobicContact CD1-CE2 3.52Å; F13-Y19 HydrophobicContact CD1-CG 4.05Å; F13-Y19 AromaticContact CD1-CZ 3.71Å; F13-Y19 HydrophobicContact CE1-CD2 4.17Å; F13-Y19 AromaticContact CE1-CE2 3.9Å; F13-Y19 HydrophobicContact CE1-CE2 3.9Å; F13-Y19 WeakPolarHBondContact O-CD1 3.42Å; N16-Y19 PolarHBondContact O-N 3.33Å; N16-Y19 PolarHBondContact OD1-N 3.3Å; K17-Y19 VanDerWaalsContact C-N 3.31Å; K17-Y19 PolarHBondContact O-N 3.45Å; Y19-D21 VanDerWaalsContact C-N 3.33Å; Y19-D21 PolarHBondContact O-N 3.37Å; Y19-A22 WeakPolarHBondContact O-CB 3.26Å; Y19-A22 PolarHBondContact O-N 3.01Å; Y19-A22 VanDerWaalsContact O-N 3.15Å; Y19-V23 HydrophobicContact CD1-CG2 4.37Å; Y19-V23 HydrophobicContact CD2-CG2 4.46Å; Y19-V23 HydrophobicContact CE1-CG2 4.01Å; Y19-V23 HydrophobicContact CE2-CG2 4.1Å; Y19-V23 WeakPolarHBondContact O-CG2 3.39Å; Y19-V23 PolarHBondContact O-N 2.78Å; Y19-D238 HydrophobicContact CE1-CB 4.4Å; Y19-D238 WeakPolarHBondContact OH-CB 3.47Å; Y19-D238 PolarHBondContact OH-N 2.91Å; Y19-A253 HydrophobicContact CD2-CB 4.25Å; Y19-A253 HydrophobicContact CE2-CB 3.59Å; Y19-M254 HydrophobicContact CD2-SD 4.04Å
20	I	90.5	Very high	86.3	Confident	13 Å²	13	62 Å²	62	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-45.9	177.4	-72.4	164.2	0	0	0	110.7	N16 K17 A22 V23 N24 A32 A34 A241	N16-I20 WeakPolarHBondContact O-CG1 3.31Å; N16-I20 PolarHBondContact O-N 3.12Å; K17-I20 PolarHBondContact O-N 3.21Å; I20-A22 VanDerWaalsContact C-N 3.31Å; I20-A22 PolarHBondContact O-N 2.06Å; I20-V23 PolarHBondContact O-N 2.86Å; I20-N24 WeakPolarHBondContact O-CB 3.37Å; I20-N24 PolarHBondContact O-N 3.11Å; I20-N24 PolarHBondContact O-ND2 2.72Å; I20-A32 HydrophobicContact CG2-CB 4.01Å; I20-A34 HydrophobicContact CD1-CB 3.77Å; I20-A241 HydrophobicContact CG1-CB 4.31Å
21	D	91.7	Very high	87.6	Confident	58 Å²	58	63.3 Å²	63.3	31%	0.31	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-35.2	178.1	-70.2	-16.6	0	0	0	111.1	K17 Y19 R25	K17-D21 WeakPolarHBondContact CE-OD2 3.49Å; K17-D21 VanDerWaalsContact O-CB 3.32Å; K17-D21 WeakPolarHBondContact O-CB 3.36Å; K17-D21 VanDerWaalsContact O-CG 3.25Å; K17-D21 PolarHBondContact O-N 3.48Å; Y19-D21 VanDerWaalsContact C-N 3.33Å; Y19-D21 PolarHBondContact O-N 3.37Å; D21-R25 WeakPolarHBondContact O-CB 3.33Å; D21-R25 VanDerWaalsContact O-CG 3.29Å; D21-R25 WeakPolarHBondContact O-CG 2.97Å; D21-R25 PolarHBondContact O-N 2.66Å
22	A	89.6	Confident	88.7	Confident	21 Å²	21	54.1 Å²	54.1	17%	0.174	28%	0.283	C	S	.	.	H	α-helix	trans	-65.8	-45.1	174	0	0	0	0	0	112.3	D18 Y19 I20 N24 R25 A26	D18-A22 WeakPolarHBondContact O-CB 3.33Å; D18-A22 PolarHBondContact O-N 3.42Å; Y19-A22 WeakPolarHBondContact O-CB 3.26Å; Y19-A22 PolarHBondContact O-N 3.01Å; Y19-A22 VanDerWaalsContact O-N 3.15Å; I20-A22 VanDerWaalsContact C-N 3.31Å; I20-A22 PolarHBondContact O-N 2.06Å; A22-N24 VanDerWaalsContact C-N 3.34Å; A22-N24 PolarHBondContact O-N 3.31Å; A22-R25 PolarHBondContact O-N 3.39Å; A22-A26 WeakPolarHBondContact O-CB 3.46Å; A22-A26 PolarHBondContact O-N 2.94Å
23	V	89.7	Confident	89.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-45.7	175.2	170.8	0	0	0	0	110.8	Y19 I20 R25 A26 Q27 W30 A32 D238 V250 A253	Y19-V23 HydrophobicContact CD1-CG2 4.37Å; Y19-V23 HydrophobicContact CD2-CG2 4.46Å; Y19-V23 HydrophobicContact CE1-CG2 4.01Å; Y19-V23 HydrophobicContact CE2-CG2 4.1Å; Y19-V23 WeakPolarHBondContact O-CG2 3.39Å; Y19-V23 PolarHBondContact O-N 2.78Å; I20-V23 PolarHBondContact O-N 2.86Å; V23-R25 VanDerWaalsContact C-N 3.3Å; V23-R25 PolarHBondContact O-N 3.35Å; V23-A26 PolarHBondContact O-N 3.17Å; V23-Q27 PolarHBondContact O-N 3.11Å; V23-W30 HydrophobicContact CG1-CH2 3.46Å; V23-W30 VanDerWaalsContact CG1-CH2 3.46Å; V23-W30 HydrophobicContact CG1-CZ2 3.48Å; V23-W30 VanDerWaalsContact CG1-CZ2 3.48Å; V23-W30 HydrophobicContact CG1-CZ3 4.28Å; V23-A32 HydrophobicContact CB-CB 4.25Å; V23-A32 HydrophobicContact CG1-CB 3.87Å; V23-D238 HydrophobicContact CG2-CB 4.25Å; V23-V250 HydrophobicContact CG1-CG2 4.2Å; V23-A253 HydrophobicContact CG2-CB 3.69Å
24	N	94.3	Very high	91	Very high	55 Å²	55	54 Å²	54	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-67.9	-25.7	178	-75	-35.7	0	0	0	113.5	I20 A22 A32	I20-N24 WeakPolarHBondContact O-CB 3.37Å; I20-N24 PolarHBondContact O-N 3.11Å; I20-N24 PolarHBondContact O-ND2 2.72Å; A22-N24 VanDerWaalsContact C-N 3.34Å; A22-N24 PolarHBondContact O-N 3.31Å; N24-A32 PolarHBondContact ND2-O 3.13Å; N24-A32 PolarHBondContact OD1-N 3.11Å
25	R	92.8	Very high	91.6	Very high	180 Å²	180	54.2 Å²	54.2	68%	0.679	29%	0.294	S	S	*	.	H	α-helix	trans	-80.5	-31.6	173.2	-76.6	-173.1	-59.7	-97	-1.4	112.8	D21 A22 V23	D21-R25 WeakPolarHBondContact O-CB 3.33Å; D21-R25 VanDerWaalsContact O-CG 3.29Å; D21-R25 WeakPolarHBondContact O-CG 2.97Å; D21-R25 PolarHBondContact O-N 2.66Å; A22-R25 PolarHBondContact O-N 3.39Å; V23-R25 VanDerWaalsContact C-N 3.3Å; V23-R25 PolarHBondContact O-N 3.35Å
26	A	91.2	Very high	91.9	Very high	61 Å²	61	60.4 Å²	60.4	50%	0.504	32%	0.319	S	S	.	.	H	α-helix	trans	-77.5	-21.7	-175.2	0	0	0	0	0	113.6	A22 V23 V250	A22-A26 WeakPolarHBondContact O-CB 3.46Å; A22-A26 PolarHBondContact O-N 2.94Å; V23-A26 PolarHBondContact O-N 3.17Å; A26-V250 HydrophobicContact CB-CG1 3.74Å
27	Q	92.4	Very high	91.9	Very high	20 Å²	20	62.3 Å²	62.3	9%	0.093	33%	0.327	C	S	.	.			trans	-149.4	164.1	178.9	64.3	70.9	40.3	0	0	111.8	V23 W30 V250	V23-Q27 PolarHBondContact O-N 3.11Å; Q27-W30 VanDerWaalsContact CD-CD1 3.44Å; Q27-W30 PolarHBondContact NE2-O 2.82Å; Q27-W30 VanDerWaalsContact OE1-CD1 3.22Å; Q27-W30 PolarHBondContact OE1-O 3.49Å; Q27-V250 HydrophobicContact CB-CG2 4.49Å; Q27-V250 HydrophobicContact CG-CG2 3.61Å
28	S	91.8	Very high	91.7	Very high	121 Å²	121	55.3 Å²	55.3	85%	0.846	30%	0.297	S	S	*	.	S	Bend	trans	-128.3	6.4	-176.6	60.8	0	0	0	0	115.4
29	K	94.4	Very high	91.4	Very high	91 Å²	91	56.3 Å²	56.3	40%	0.396	30%	0.298	S	S	.	.	S	Bend	trans	-84	-25.8	-177.8	-71.6	-176	176.1	178.6	0	113.5	G245 I246 T284	K29-G245 CarbonylContact O-C 3.55Å; K29-G245 WeakPolarHBondContact O-CA 3.25Å; K29-I246 PolarHBondContact O-N 3.1Å; K29-T284 HydrophobicContact CD-CG2 4.46Å
30	W	96.9	Very high	91.1	Very high	6 Å²	6	61.5 Å²	61.5	2%	0.023	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	164.3	178.9	66.7	-86.1	0	0	0	111.8	V23 Q27 A32 D238 Y242 S244 Y247 H248 V250	V23-W30 HydrophobicContact CG1-CH2 3.46Å; V23-W30 VanDerWaalsContact CG1-CH2 3.46Å; V23-W30 HydrophobicContact CG1-CZ2 3.48Å; V23-W30 VanDerWaalsContact CG1-CZ2 3.48Å; V23-W30 HydrophobicContact CG1-CZ3 4.28Å; Q27-W30 VanDerWaalsContact CD-CD1 3.44Å; Q27-W30 PolarHBondContact NE2-O 2.82Å; Q27-W30 VanDerWaalsContact OE1-CD1 3.22Å; Q27-W30 PolarHBondContact OE1-O 3.49Å; W30-A32 HydrophobicContact CE3-CB 4.39Å; W30-A32 HydrophobicContact CH2-CB 3.98Å; W30-A32 HydrophobicContact CZ3-CB 3.58Å; W30-D238 HydrophobicContact CH2-CB 3.9Å; W30-D238 WeakPolarHBondContact CH2-O 3.3Å; W30-D238 HydrophobicContact CZ2-CB 4.09Å; W30-Y242 HydrophobicContact CB-CD2 4.29Å; W30-Y242 HydrophobicContact CB-CE2 4.07Å; W30-Y242 HydrophobicContact CD2-CD2 4.23Å; W30-Y242 AromaticContact CE3-CD2 3.73Å; W30-Y242 HydrophobicContact CE3-CD2 3.73Å; W30-Y242 HydrophobicContact CG-CD2 4.5Å; W30-Y242 HydrophobicContact CZ3-CD2 4.39Å; W30-S244 CarbonylContact C-O 3.57Å; W30-S244 WeakPolarHBondContact CA-O 3.2Å; W30-S244 VanDerWaalsContact CB-O 3.25Å; W30-S244 WeakPolarHBondContact CB-O 3.29Å; W30-Y247 HydrophobicContact CD2-CD2 4.02Å; W30-Y247 AromaticContact CE2-CD2 3.75Å; W30-Y247 HydrophobicContact CE3-CD2 4.33Å; W30-Y247 HydrophobicContact CH2-CD2 4.19Å; W30-Y247 HydrophobicContact CH2-CE2 4.07Å; W30-Y247 AromaticContact CZ2-CD2 3.86Å; W30-Y247 HydrophobicContact CZ2-CD2 3.86Å; W30-Y247 AromaticContact CZ2-CE2 3.75Å; W30-Y247 HydrophobicContact CZ2-CE2 3.75Å; W30-Y247 HydrophobicContact CZ3-CD2 4.42Å; W30-H248 PolarHBondContact NE1-O 2.71Å; W30-V250 HydrophobicContact CZ2-CG2 4.23Å
31	V	97.5	Very high	90.6	Very high	59 Å²	59	61.9 Å²	61.9	36%	0.358	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.7	-178	179.7	0	0	0	0	109.7	R243 S244	V31-R243 HydrophobicContact CB-CB 4.48Å; V31-R243 WeakPolarHBondContact O-CB 3.35Å; V31-R243 PolarHBondContact O-N 2.78Å; V31-S244 PolarHBondContact N-O 2.76Å
32	A	95.5	Very high	90	Very high	4 Å²	4	61.3 Å²	61.3	3%	0.033	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144.6	170.1	0	0	0	0	0	111.1	I20 V23 N24 W30 A241	I20-A32 HydrophobicContact CG2-CB 4.01Å; V23-A32 HydrophobicContact CB-CB 4.25Å; V23-A32 HydrophobicContact CG1-CB 3.87Å; N24-A32 PolarHBondContact ND2-O 3.13Å; N24-A32 PolarHBondContact OD1-N 3.11Å; W30-A32 HydrophobicContact CE3-CB 4.39Å; W30-A32 HydrophobicContact CH2-CB 3.98Å; W30-A32 HydrophobicContact CZ3-CB 3.58Å; A32-A241 CarbonylContact C-O 3.59Å; A32-A241 VanDerWaalsContact CA-O 3.25Å; A32-A241 WeakPolarHBondContact CA-O 3.38Å; A32-A241 HydrophobicContact CB-CB 4Å
33	T	95.6	Very high	89.2	Confident	39 Å²	39	60.3 Å²	60.3	24%	0.239	32%	0.324	C	S	.	.			trans	-150	164.5	178.2	-153.6	0	0	0	0	112.1	Y35 A241 R243	T33-Y35 HydrophobicContact CG2-CD2 4.26Å; T33-Y35 HydrophobicContact CG2-CE1 4.06Å; T33-Y35 HydrophobicContact CG2-CE2 3.71Å; T33-A241 PolarHBondContact N-O 3.13Å; T33-A241 WeakPolarHBondContact O-CA 3.14Å; T33-A241 WeakPolarHBondContact O-CB 2.95Å; T33-R243 HydrophobicContact CG2-CB 3.72Å; T33-R243 HydrophobicContact CG2-CG 3.91Å
34	A	93.2	Very high	88.4	Confident	51 Å²	51	65.9 Å²	65.9	42%	0.421	35%	0.35	S	S	.	.			trans	-91.9	143.9	173.2	0	0	0	0	0	110	N15 I20	N15-A34 HydrophobicContact CB-CB 3.96Å; N15-A34 VanDerWaalsContact OD1-CA 3.25Å; N15-A34 WeakPolarHBondContact OD1-CA 3.21Å; N15-A34 WeakPolarHBondContact OD1-CB 3.44Å; I20-A34 HydrophobicContact CD1-CB 3.77Å
35	Y	92.4	Very high	87.5	Confident	19 Å²	19	64.3 Å²	64.3	8%	0.075	34%	0.341	C	S	.	.			trans	-118.8	126.6	176.3	-65.9	-82.3	0	0	0	110	N15 T33 E37 W38 Y240 Y242 R243 Y296 W297 G298	N15-Y35 PolarHBondContact ND2-O 3.13Å; N15-Y35 PolarHBondContact OD1-N 3.33Å; N15-Y35 PolarHBondContact OD1-O 2.92Å; T33-Y35 HydrophobicContact CG2-CD2 4.26Å; T33-Y35 HydrophobicContact CG2-CE1 4.06Å; T33-Y35 HydrophobicContact CG2-CE2 3.71Å; Y35-E37 PolarHBondContact O-N 3.32Å; Y35-W38 AromaticContact CD2-CD1 3.89Å; Y35-W38 AromaticContact CD2-NE1 3.43Å; Y35-W38 AromaticContact CG-NE1 3.84Å; Y35-W38 PolarHBondContact O-N 2.79Å; Y35-W38 VanDerWaalsContact O-N 3.07Å; Y35-Y240 WeakPolarHBondContact CE2-O 3.47Å; Y35-Y242 PolarHBondContact OH-O 2.87Å; Y35-R243 WeakPolarHBondContact OH-CA 3.27Å; Y35-Y296 HydrophobicContact CD1-CD2 4.02Å; Y35-Y296 WeakPolarHBondContact CE1-O 3.09Å; Y35-W297 AromaticContact CE2-CD1 3.59Å; Y35-W297 HydrophobicContact CE2-CG 4.5Å; Y35-W297 AromaticContact CZ-CD1 3.89Å; Y35-G298 PolarHBondContact OH-N 2.69Å
36	K	90.1	Very high	86.8	Confident	165 Å²	165	55.7 Å²	55.7	72%	0.717	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-60	-31.7	-177.4	-67.3	-177.6	179.2	-179.2	0	111.9	W38 E39	K36-W38 PolarHBondContact O-N 2.68Å; K36-E39 WeakPolarHBondContact O-CB 3.3Å; K36-E39 WeakPolarHBondContact O-CG 3.41Å; K36-E39 PolarHBondContact O-N 3.4Å
37	E	88	Confident	85.9	Confident	79 Å²	79	53.5 Å²	53.5	37%	0.369	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-56.6	-36.1	178	-63.8	79	-175.5	0	0	111.6	Y35 E39 T40 Y296	Y35-E37 PolarHBondContact O-N 3.32Å; E37-E39 VanDerWaalsContact C-N 3.31Å; E37-E39 PolarHBondContact O-N 2.83Å; E37-T40 PolarHBondContact O-OG1 3.21Å; E37-Y296 HydrophobicContact CB-CD2 4.26Å; E37-Y296 HydrophobicContact CB-CE2 3.7Å; E37-Y296 HydrophobicContact CG-CD1 4.24Å; E37-Y296 HydrophobicContact CG-CD2 3.81Å; E37-Y296 HydrophobicContact CG-CE1 4.14Å; E37-Y296 HydrophobicContact CG-CE2 3.72Å; E37-Y296 HydrophobicContact CG-CG 4.08Å
38	W	85	Confident	85.1	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.008	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-74.6	-14.8	179	-55.6	145.2	0	0	0	114.5	K10 I14 Y35 K36 T40 E41 M46 K49 Y240 W293 Y296 W297	K10-W38 VanDerWaalsContact CE-O 3.29Å; K10-W38 WeakPolarHBondContact CE-O 3.47Å; K10-W38 PolarHBondContact NZ-O 2.76Å; I14-W38 HydrophobicContact CG2-CB 3.58Å; I14-W38 HydrophobicContact CG2-CG 4.18Å; Y35-W38 AromaticContact CD2-CD1 3.89Å; Y35-W38 AromaticContact CD2-NE1 3.43Å; Y35-W38 AromaticContact CG-NE1 3.84Å; Y35-W38 PolarHBondContact O-N 2.79Å; Y35-W38 VanDerWaalsContact O-N 3.07Å; K36-W38 PolarHBondContact O-N 2.68Å; W38-T40 VanDerWaalsContact C-N 3.27Å; W38-T40 PolarHBondContact O-N 2.92Å; W38-E41 VanDerWaalsContact CZ3-OE2 3.26Å; W38-E41 WeakPolarHBondContact CZ3-OE2 3.28Å; W38-M46 HydrophobicContact CB-CE 4.18Å; W38-M46 HydrophobicContact CB-SD 4.38Å; W38-M46 HydrophobicContact CD2-CE 3.78Å; W38-M46 HydrophobicContact CE3-CE 3.93Å; W38-M46 HydrophobicContact CE3-CG 4.4Å; W38-M46 HydrophobicContact CE3-SD 4.46Å; W38-M46 HydrophobicContact CG-CE 3.87Å; W38-K49 HydrophobicContact CZ3-CD 4.07Å; W38-Y240 PolarHBondContact NE1-O 2.87Å; W38-W293 HydrophobicContact CH2-CB 4.45Å; W38-W293 HydrophobicContact CH2-CD2 4.38Å; W38-W293 HydrophobicContact CH2-CE3 4.17Å; W38-W293 HydrophobicContact CZ2-CE3 4.1Å; W38-Y296 HydrophobicContact CH2-CE2 4.44Å; W38-Y296 WeakPolarHBondContact CH2-OH 3.27Å; W38-Y296 HydrophobicContact CZ2-CE2 4.2Å; W38-Y296 WeakPolarHBondContact CZ3-OH 3.24Å; W38-W297 AromaticContact CZ2-CD1 3.88Å
39	E	82.4	Confident	84.5	Confident	132 Å²	132	50.8 Å²	50.8	62%	0.617	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-63.6	-38.1	-179.4	-64.4	179.2	178.2	0	0	111.1	K10 N15 K36 E37	K10-E39 PolarHBondContact NZ-O 3.24Å; K10-E39 VanDerWaalsContact NZ-O 3.09Å; N15-E39 WeakPolarHBondContact ND2-CG 3.2Å; K36-E39 WeakPolarHBondContact O-CB 3.3Å; K36-E39 WeakPolarHBondContact O-CG 3.41Å; K36-E39 PolarHBondContact O-N 3.4Å; E37-E39 VanDerWaalsContact C-N 3.31Å; E37-E39 PolarHBondContact O-N 2.83Å
40	T	78.7	Confident	83.5	Confident	116 Å²	116	46.5 Å²	46.5	71%	0.712	24%	0.24	S	C	*	.	S	Bend	trans	-88.6	-13.4	-174.2	66.1	0	0	0	0	114.8	E37 W38	E37-T40 PolarHBondContact O-OG1 3.21Å; W38-T40 VanDerWaalsContact C-N 3.27Å; W38-T40 PolarHBondContact O-N 2.92Å
41	E	79.6	Confident	82	Confident	20 Å²	20	46.6 Å²	46.6	9%	0.093	24%	0.243	C	C	.	.	S	Bend	trans	-88.8	140.6	-175.2	-60.2	-155.7	148.1	0	0	112.5	K10 W38 M46 K49	K10-E41 WeakPolarHBondContact CE-O 3.39Å; K10-E41 PolarHBondContact NZ-O 3.25Å; W38-E41 VanDerWaalsContact CZ3-OE2 3.26Å; W38-E41 WeakPolarHBondContact CZ3-OE2 3.28Å; E41-M46 HydrophobicContact CB-CG 4.11Å; E41-K49 IonicContact OE1-NZ 2.87Å; E41-K49 PolarHBondContact OE1-NZ 3Å; E41-K49 IonicContact OE2-NZ 3.49Å; E41-K49 PolarHBondContact OE2-NZ 3.3Å
42	S	78.2	Confident	80.4	Confident	46 Å²	46	44.7 Å²	44.7	32%	0.322	23%	0.234	S	C	.	.			trans	-68.7	155.1	171.6	73.8	0	0	0	0	110.2	E44 D45 M46	S42-E44 PolarHBondContact O-N 3.28Å; S42-D45 WeakPolarHBondContact O-CB 3.47Å; S42-D45 PolarHBondContact O-N 2.64Å; S42-D45 VanDerWaalsContact O-N 3.16Å; S42-D45 WeakPolarHBondContact OG-CB 3.13Å; S42-D45 PolarHBondContact OG-N 2.98Å; S42-D45 VanDerWaalsContact OG-N 3.08Å; S42-D45 PolarHBondContact OG-OD2 3.04Å; S42-M46 WeakPolarHBondContact O-CG 3.41Å; S42-M46 PolarHBondContact O-N 2.77Å; S42-M46 VanDerWaalsContact O-N 3.12Å
43	F	73.2	Confident	78.5	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-35.2	176	-161	-136.9	0	0	0	112	M6 L9 K10 I14 D45 M46 I47 Y261	M6-F43 HydrophobicContact CB-CB 4.32Å; M6-F43 HydrophobicContact CB-CD1 3.93Å; M6-F43 HydrophobicContact CG-CD1 4.41Å; M6-F43 WeakPolarHBondContact O-CD1 3.28Å; M6-F43 HydrophobicContact SD-CD1 3.63Å; M6-F43 HydrophobicContact SD-CE1 4.03Å; L9-F43 HydrophobicContact CB-CD1 4.14Å; L9-F43 HydrophobicContact CB-CE1 3.38Å; L9-F43 HydrophobicContact CB-CZ 3.78Å; L9-F43 HydrophobicContact CD1-CE1 3.99Å; L9-F43 HydrophobicContact CG-CE1 4.35Å; K10-F43 HydrophobicContact CB-CB 3.87Å; K10-F43 HydrophobicContact CB-CD2 3.78Å; K10-F43 HydrophobicContact CB-CE2 4.48Å; K10-F43 HydrophobicContact CB-CG 3.87Å; K10-F43 HydrophobicContact CD-CB 4.43Å; K10-F43 HydrophobicContact CG-CB 4.3Å; K10-F43 HydrophobicContact CG-CD2 4.03Å; K10-F43 HydrophobicContact CG-CG 4.44Å; I14-F43 HydrophobicContact CD1-CE2 4.47Å; I14-F43 HydrophobicContact CG1-CD2 4.22Å; I14-F43 HydrophobicContact CG1-CE2 4.04Å; F43-D45 VanDerWaalsContact C-N 3.33Å; F43-D45 PolarHBondContact O-N 3.16Å; F43-M46 PolarHBondContact O-N 3.02Å; F43-I47 HydrophobicContact CD1-CD1 3.88Å; F43-I47 HydrophobicContact CE1-CD1 4.13Å; F43-I47 HydrophobicContact CG-CD1 4.32Å; F43-I47 WeakPolarHBondContact O-CD1 3.48Å; F43-I47 WeakPolarHBondContact O-CG1 2.99Å; F43-I47 PolarHBondContact O-N 3.34Å; F43-Y261 HydrophobicContact CD1-CD1 4.45Å; F43-Y261 AromaticContact CD1-CE1 3.97Å; F43-Y261 HydrophobicContact CD1-CE1 3.97Å; F43-Y261 AromaticContact CE1-CD1 3.62Å; F43-Y261 HydrophobicContact CE1-CD1 3.62Å; F43-Y261 AromaticContact CE1-CE1 3.06Å; F43-Y261 HydrophobicContact CE1-CE1 3.06Å; F43-Y261 AromaticContact CE2-CE1 3.98Å; F43-Y261 HydrophobicContact CE2-CE1 3.98Å; F43-Y261 HydrophobicContact CZ-CD1 4.05Å; F43-Y261 AromaticContact CZ-CE1 3.07Å; F43-Y261 HydrophobicContact CZ-CE1 3.07Å; F43-Y261 AromaticContact CZ-CZ 3.54Å; F43-Y261 VanDerWaalsContact CZ-OH 3.31Å; F43-Y261 WeakPolarHBondContact CZ-OH 3.31Å
44	E	72.6	Confident	76.5	Confident	117 Å²	117	54.5 Å²	54.5	55%	0.547	27%	0.269	S	S	.	.	H	α-helix	trans	-61.6	-40.5	175.2	-173.1	165.7	-157.3	0	0	111.6	S42 I47 R48	S42-E44 PolarHBondContact O-N 3.28Å; E44-I47 PolarHBondContact O-N 2.85Å; E44-R48 WeakPolarHBondContact O-CB 3.41Å; E44-R48 PolarHBondContact O-N 3.33Å
45	D	76.6	Confident	74.6	Confident	21 Å²	21	52.3 Å²	52.3	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-64	-39.6	173.8	-69.2	-47.1	0	0	0	112.4	S42 F43 R48 K49 R110	S42-D45 WeakPolarHBondContact O-CB 3.47Å; S42-D45 PolarHBondContact O-N 2.64Å; S42-D45 VanDerWaalsContact O-N 3.16Å; S42-D45 WeakPolarHBondContact OG-CB 3.13Å; S42-D45 PolarHBondContact OG-N 2.98Å; S42-D45 VanDerWaalsContact OG-N 3.08Å; S42-D45 PolarHBondContact OG-OD2 3.04Å; F43-D45 VanDerWaalsContact C-N 3.33Å; F43-D45 PolarHBondContact O-N 3.16Å; D45-R48 PolarHBondContact O-N 3.14Å; D45-R48 IonicContact OD1-CZ 3.32Å; D45-R48 IonicContact OD1-NH2 3.63Å; D45-R48 PolarHBondContact OD1-NH2 3.01Å; D45-K49 WeakPolarHBondContact O-CB 3.36Å; D45-K49 PolarHBondContact O-N 2.91Å; D45-R110 HydrophobicContact CB-CG 4.21Å
46	M	77	Confident	72.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-43.1	177.4	-65.1	-177.1	68.7	0	0	111.8	I14 W38 E41 S42 F43 R48 K49 A50 Y240	I14-M46 HydrophobicContact CB-CE 4.34Å; I14-M46 HydrophobicContact CB-SD 4.37Å; I14-M46 HydrophobicContact CD1-CE 3.51Å; I14-M46 HydrophobicContact CD1-SD 4.31Å; I14-M46 HydrophobicContact CG1-CE 3.75Å; I14-M46 HydrophobicContact CG1-SD 3.88Å; I14-M46 HydrophobicContact CG2-CE 3.66Å; I14-M46 HydrophobicContact CG2-SD 3.76Å; W38-M46 HydrophobicContact CB-CE 4.18Å; W38-M46 HydrophobicContact CB-SD 4.38Å; W38-M46 HydrophobicContact CD2-CE 3.78Å; W38-M46 HydrophobicContact CE3-CE 3.93Å; W38-M46 HydrophobicContact CE3-CG 4.4Å; W38-M46 HydrophobicContact CE3-SD 4.46Å; W38-M46 HydrophobicContact CG-CE 3.87Å; E41-M46 HydrophobicContact CB-CG 4.11Å; S42-M46 WeakPolarHBondContact O-CG 3.41Å; S42-M46 PolarHBondContact O-N 2.77Å; S42-M46 VanDerWaalsContact O-N 3.12Å; F43-M46 PolarHBondContact O-N 3.02Å; M46-R48 VanDerWaalsContact C-N 3.34Å; M46-K49 VanDerWaalsContact O-CB 3.25Å; M46-K49 WeakPolarHBondContact O-CB 3.39Å; M46-K49 PolarHBondContact O-N 2.98Å; M46-A50 PolarHBondContact O-N 3Å; M46-A50 VanDerWaalsContact O-N 3.1Å; M46-Y240 HydrophobicContact CB-CE1 4.05Å; M46-Y240 HydrophobicContact CE-CD1 3.45Å; M46-Y240 VanDerWaalsContact CE-CD1 3.45Å; M46-Y240 HydrophobicContact CE-CE1 3.88Å; M46-Y240 HydrophobicContact CE-CG 3.89Å; M46-Y240 PolarHBondContact O-OH 2.91Å; M46-Y240 VanDerWaalsContact O-OH 3.08Å
47	I	73.2	Confident	71.2	Confident	14 Å²	14	54.1 Å²	54.1	7%	0.072	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-45.2	175.1	-65.5	162.5	0	0	0	110.4	M6 F43 E44 K49 A50 G51 A52 Y261	M6-I47 HydrophobicContact SD-CD1 3.79Å; F43-I47 HydrophobicContact CD1-CD1 3.88Å; F43-I47 HydrophobicContact CE1-CD1 4.13Å; F43-I47 HydrophobicContact CG-CD1 4.32Å; F43-I47 WeakPolarHBondContact O-CD1 3.48Å; F43-I47 WeakPolarHBondContact O-CG1 2.99Å; F43-I47 PolarHBondContact O-N 3.34Å; E44-I47 PolarHBondContact O-N 2.85Å; I47-K49 VanDerWaalsContact C-N 3.31Å; I47-K49 PolarHBondContact O-N 3.25Å; I47-A50 CarbonylContact O-C 3.44Å; I47-A50 WeakPolarHBondContact O-CA 3.42Å; I47-A50 WeakPolarHBondContact O-CB 3.41Å; I47-A50 PolarHBondContact O-N 2.87Å; I47-A50 VanDerWaalsContact O-N 3.1Å; I47-G51 PolarHBondContact O-N 2.04Å; I47-A52 HydrophobicContact CG2-CB 3.64Å; I47-A52 PolarHBondContact O-N 3.35Å; I47-Y261 HydrophobicContact CD1-CD1 3.41Å; I47-Y261 VanDerWaalsContact CD1-CD1 3.41Å; I47-Y261 HydrophobicContact CD1-CE1 3.26Å; I47-Y261 HydrophobicContact CG1-CD1 3.95Å; I47-Y261 HydrophobicContact CG1-CE1 3.36Å
48	R	75.6	Confident	69.6	Low	83 Å²	83	57.7 Å²	57.7	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-36.6	177.6	-173.7	169.8	56.9	176	0.8	111.7	E44 D45 M46 A50 G51 R110 G112	E44-R48 WeakPolarHBondContact O-CB 3.41Å; E44-R48 PolarHBondContact O-N 3.33Å; D45-R48 PolarHBondContact O-N 3.14Å; D45-R48 IonicContact OD1-CZ 3.32Å; D45-R48 IonicContact OD1-NH2 3.63Å; D45-R48 PolarHBondContact OD1-NH2 3.01Å; M46-R48 VanDerWaalsContact C-N 3.34Å; R48-A50 VanDerWaalsContact C-N 3.27Å; R48-A50 PolarHBondContact O-N 3.07Å; R48-G51 WeakPolarHBondContact O-CA 3.46Å; R48-G51 PolarHBondContact O-N 3.07Å; R48-R110 WeakPolarHBondContact CD-O 3.18Å; R48-R110 WeakPolarHBondContact CG-O 3.41Å; R48-R110 VanDerWaalsContact CZ-O 3.25Å; R48-R110 PolarHBondContact NE-O 2.83Å; R48-R110 PolarHBondContact NH2-O 3.11Å; R48-G112 WeakPolarHBondContact O-CA 3.4Å
49	K	78.2	Confident	67.9	Low	1 Å²	1	59.6 Å²	59.6	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-36.4	170.8	-97.3	179.1	173.1	178.5	0	113.3	W38 E41 D45 M46 I47 G51 Q108 H109 W293	W38-K49 HydrophobicContact CZ3-CD 4.07Å; E41-K49 IonicContact OE1-NZ 2.87Å; E41-K49 PolarHBondContact OE1-NZ 3Å; E41-K49 IonicContact OE2-NZ 3.49Å; E41-K49 PolarHBondContact OE2-NZ 3.3Å; D45-K49 WeakPolarHBondContact O-CB 3.36Å; D45-K49 PolarHBondContact O-N 2.91Å; M46-K49 VanDerWaalsContact O-CB 3.25Å; M46-K49 WeakPolarHBondContact O-CB 3.39Å; M46-K49 PolarHBondContact O-N 2.98Å; I47-K49 VanDerWaalsContact C-N 3.31Å; I47-K49 PolarHBondContact O-N 3.25Å; K49-G51 PolarHBondContact O-N 3.11Å; K49-Q108 PolarHBondContact O-NE2 2.92Å; K49-Q108 PolarHBondContact O-OE1 2.89Å; K49-H109 WeakPolarHBondContact CE-O 3.47Å; K49-H109 WeakPolarHBondContact CG-O 3.34Å; K49-W293 PolarHBondContact O-NE1 3.07Å
50	A	73.4	Confident	66.5	Low	1 Å²	1	58.8 Å²	58.8	1%	0.008	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	7.7	172.2	0	0	0	0	0	113.5	M46 I47 R48 A52 V235 Y240 D270 H271 W293	M46-A50 PolarHBondContact O-N 3Å; M46-A50 VanDerWaalsContact O-N 3.1Å; I47-A50 CarbonylContact O-C 3.44Å; I47-A50 WeakPolarHBondContact O-CA 3.42Å; I47-A50 WeakPolarHBondContact O-CB 3.41Å; I47-A50 PolarHBondContact O-N 2.87Å; I47-A50 VanDerWaalsContact O-N 3.1Å; R48-A50 VanDerWaalsContact C-N 3.27Å; R48-A50 PolarHBondContact O-N 3.07Å; A50-A52 PolarHBondContact O-N 3.1Å; A50-V235 HydrophobicContact CB-CB 3.78Å; A50-V235 HydrophobicContact CB-CG1 3.88Å; A50-V235 HydrophobicContact CB-CG2 3.89Å; A50-Y240 WeakPolarHBondContact CB-OH 3.36Å; A50-D270 CarbonylContact O-C 3.57Å; A50-H271 VanDerWaalsContact O-CA 3.27Å; A50-H271 WeakPolarHBondContact O-CA 3.47Å; A50-H271 WeakPolarHBondContact O-CB 3.45Å; A50-H271 PolarHBondContact O-N 3.29Å; A50-W293 HydrophobicContact CB-CZ2 4.23Å
51	G	67	Low	65.2	Low	8 Å²	8	61.9 Å²	61.9	8%	0.082	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	3.2	175.3	0	0	0	0	0	115.5	I47 R48 K49 R53 D270	I47-G51 PolarHBondContact O-N 2.04Å; R48-G51 WeakPolarHBondContact O-CA 3.46Å; R48-G51 PolarHBondContact O-N 3.07Å; K49-G51 PolarHBondContact O-N 3.11Å; G51-R53 PolarHBondContact O-N 2.83Å; G51-D270 CarbonylContact C-O 3.49Å; G51-D270 WeakPolarHBondContact CA-O 3.31Å
52	A	62	Low	63.5	Low	20 Å²	20	67.3 Å²	67.3	17%	0.165	31%	0.314	C	S	.	.			trans	-71.3	123.1	178.7	0	0	0	0	0	111.8	I47 A50 D270	I47-A52 HydrophobicContact CG2-CB 3.64Å; I47-A52 PolarHBondContact O-N 3.35Å; A50-A52 PolarHBondContact O-N 3.1Å; A52-D270 HydrophobicContact CB-CB 3.98Å
53	R	56.2	Low	61.7	Low	121 Å²	121	72 Å²	72	46%	0.457	34%	0.335	S	S	.	.			trans	-93.1	147	177.6	106.5	177.3	-169	110.3	-2.2	112	G51 A55 E59 D155 W263	G51-R53 PolarHBondContact O-N 2.83Å; R53-A55 PolarHBondContact O-N 2.84Å; R53-E59 IonicContact CZ-OE1 2.7Å; R53-E59 IonicContact CZ-OE2 3.67Å; R53-E59 IonicContact NE-OE2 3.57Å; R53-E59 VanDerWaalsContact NH2-CD 3.32Å; R53-E59 IonicContact NH2-OE1 3.97Å; R53-E59 PolarHBondContact NH2-OE1 3.07Å; R53-E59 IonicContact NH2-OE2 3.2Å; R53-E59 PolarHBondContact NH2-OE2 3.08Å; R53-E59 VanDerWaalsContact NH2-OE2 3.15Å; R53-D155 WeakPolarHBondContact CB-O 3.42Å; R53-W263 WeakPolarHBondContact O-CZ3 3.45Å
54	K	53.3	Low	60.3	Low	127 Å²	127	74 Å²	74	55%	0.552	34%	0.344	S	S	*	.			trans	-51	112.8	168.2	-152.1	155.5	-175.4	174.1	0	114	S56 W263	K54-S56 PolarHBondContact O-N 3.4Å; K54-W263 VanDerWaalsContact CA-CH2 3.47Å; K54-W263 HydrophobicContact CB-CH2 4.13Å; K54-W263 HydrophobicContact CB-CZ3 4.19Å; K54-W263 HydrophobicContact CG-CH2 4.02Å; K54-W263 HydrophobicContact CG-CZ3 4.25Å
55	A	53	Low	58.8	Low	5 Å²	5	76 Å²	76	4%	0.041	35%	0.353	C	S	.	.			trans	-65.1	132.3	176.3	0	0	0	0	0	107.6	R53 E59 Q60 W263 N264	R53-A55 PolarHBondContact O-N 2.84Å; A55-E59 WeakPolarHBondContact CA-OE2 3.35Å; A55-E59 HydrophobicContact CB-CB 4.21Å; A55-Q60 HydrophobicContact CB-CG 4.01Å; A55-Q60 PolarHBondContact O-NE2 2.99Å; A55-W263 HydrophobicContact CB-CE3 4.24Å; A55-W263 HydrophobicContact CB-CZ3 4.47Å; A55-N264 HydrophobicContact CB-CB 4.01Å
56	S	54.7	Low	56.8	Low	42 Å²	42	84.9 Å²	84.9	29%	0.294	39%	0.387	S	S	.	.			trans	-62.2	157.6	179	81.8	0	0	0	0	110.4	K54 Q58 E59 Q60	K54-S56 PolarHBondContact O-N 3.4Å; S56-Q58 PolarHBondContact O-N 3.18Å; S56-Q58 VanDerWaalsContact O-N 3.15Å; S56-Q58 PolarHBondContact OG-N 3.22Å; S56-E59 PolarHBondContact N-OE2 3.02Å; S56-E59 PolarHBondContact O-N 2.74Å; S56-E59 WeakPolarHBondContact OG-CG 3.43Å; S56-E59 PolarHBondContact OG-N 2.96Å; S56-Q60 WeakPolarHBondContact O-CG 3.49Å; S56-Q60 PolarHBondContact O-N 3.2Å
57	K	56.4	Low	54.9	Low	181 Å²	181	90.1 Å²	90.1	79%	0.787	41%	0.409	S	S	*	.	H	α-helix	trans	-58	-28.4	174.6	-76.2	-174.1	179	178.3	0	112.4	K61	K57-K61 WeakPolarHBondContact O-CG 3.37Å; K57-K61 PolarHBondContact O-N 3.24Å
58	Q	54.5	Low	53.3	Low	153 Å²	153	93.6 Å²	93.6	72%	0.715	43%	0.434	S	S	*	.	H	α-helix	trans	-71.2	-45.1	173.4	-90.3	172.3	-30	0	0	111.3	S56 Q60 K61 F62	S56-Q58 PolarHBondContact O-N 3.18Å; S56-Q58 VanDerWaalsContact O-N 3.15Å; S56-Q58 PolarHBondContact OG-N 3.22Å; Q58-Q60 VanDerWaalsContact C-N 3.34Å; Q58-Q60 PolarHBondContact O-N 3.39Å; Q58-K61 PolarHBondContact O-N 3.03Å; Q58-K61 VanDerWaalsContact O-N 3.15Å; Q58-F62 WeakPolarHBondContact O-CD2 3.48Å
59	E	50.6	Low	52	Low	43 Å²	43	93.9 Å²	93.9	20%	0.201	45%	0.449	C	S	.	.	H	α-helix	trans	-61.6	-40.6	177.4	-71.2	166.2	176.3	0	0	111.9	R53 A55 S56 K61 F62 N264	R53-E59 IonicContact CZ-OE1 2.7Å; R53-E59 IonicContact CZ-OE2 3.67Å; R53-E59 IonicContact NE-OE2 3.57Å; R53-E59 VanDerWaalsContact NH2-CD 3.32Å; R53-E59 IonicContact NH2-OE1 3.97Å; R53-E59 PolarHBondContact NH2-OE1 3.07Å; R53-E59 IonicContact NH2-OE2 3.2Å; R53-E59 PolarHBondContact NH2-OE2 3.08Å; R53-E59 VanDerWaalsContact NH2-OE2 3.15Å; A55-E59 WeakPolarHBondContact CA-OE2 3.35Å; A55-E59 HydrophobicContact CB-CB 4.21Å; S56-E59 PolarHBondContact N-OE2 3.02Å; S56-E59 PolarHBondContact O-N 2.74Å; S56-E59 WeakPolarHBondContact OG-CG 3.43Å; S56-E59 PolarHBondContact OG-N 2.96Å; E59-K61 VanDerWaalsContact C-N 3.26Å; E59-K61 PolarHBondContact O-N 2.91Å; E59-F62 PolarHBondContact O-N 2.85Å; E59-N264 PolarHBondContact OE1-ND2 2.7Å; E59-N264 PolarHBondContact OE2-ND2 3.07Å
60	Q	52.5	Low	50.8	Low	115 Å²	115	96.6 Å²	96.6	54%	0.537	46%	0.459	S	S	.	.	H	α-helix	trans	-64.6	-26.9	176.6	-68.6	172.4	29.8	0	0	113.4	A55 S56 Q58	A55-Q60 HydrophobicContact CB-CG 4.01Å; A55-Q60 PolarHBondContact O-NE2 2.99Å; S56-Q60 WeakPolarHBondContact O-CG 3.49Å; S56-Q60 PolarHBondContact O-N 3.2Å; Q58-Q60 VanDerWaalsContact C-N 3.34Å; Q58-Q60 PolarHBondContact O-N 3.39Å
61	K	51.7	Low	50.1	Low	181 Å²	181	99.8 Å²	99.8	79%	0.787	48%	0.48	S	S	*	.	H	α-helix	trans	-78.4	-23.8	-179.2	-84.4	-177.4	176.9	-172.8	0	113.2	K57 Q58 E59 N63	K57-K61 WeakPolarHBondContact O-CG 3.37Å; K57-K61 PolarHBondContact O-N 3.24Å; Q58-K61 PolarHBondContact O-N 3.03Å; Q58-K61 VanDerWaalsContact O-N 3.15Å; E59-K61 VanDerWaalsContact C-N 3.26Å; E59-K61 PolarHBondContact O-N 2.91Å; K61-N63 PolarHBondContact O-N 3.31Å
62	F	43.3	Very low	50.2	Low	134 Å²	134	108.5 Å²	108.5	59%	0.588	52%	0.515	S	S	*	.	S	Bend	trans	-81	117.3	175.5	-83.4	-91.4	0	0	0	109.3	Q58 E59 F64	Q58-F62 WeakPolarHBondContact O-CD2 3.48Å; E59-F62 PolarHBondContact O-N 2.85Å; F62-F64 HydrophobicContact CB-CD2 3.21Å; F62-F64 HydrophobicContact CB-CE1 4.41Å; F62-F64 HydrophobicContact CB-CE2 2.97Å; F62-F64 HydrophobicContact CB-CG 4.03Å; F62-F64 HydrophobicContact CB-CZ 3.63Å; F62-F64 HydrophobicContact CD1-CE1 4.33Å; F62-F64 AromaticContact CD1-CE2 3.96Å; F62-F64 HydrophobicContact CD1-CE2 3.96Å; F62-F64 AromaticContact CD1-CZ 3.68Å; F62-F64 HydrophobicContact CD1-CZ 3.68Å; F62-F64 HydrophobicContact CD2-CE2 4.16Å; F62-F64 HydrophobicContact CD2-CZ 4.49Å; F62-F64 HydrophobicContact CE1-CZ 4.46Å; F62-F64 HydrophobicContact CG-CD2 4.2Å; F62-F64 AromaticContact CG-CE2 3.48Å; F62-F64 HydrophobicContact CG-CE2 3.48Å; F62-F64 VanDerWaalsContact CG-CE2 3.48Å; F62-F64 AromaticContact CG-CZ 3.71Å; F62-F64 HydrophobicContact CG-CZ 3.71Å; F62-F64 PolarHBondContact O-N 3.11Å
63	N	40	Very low	51.1	Low	143 Å²	143	109 Å²	109	77%	0.765	52%	0.517	S	S	*	.			trans	-74.8	69	179.4	-161	10.3	0	0	0	110.4	K61 Q65	K61-N63 PolarHBondContact O-N 3.31Å; N63-Q65 PolarHBondContact O-N 2.78Å
64	F	45.1	Very low	52.4	Low	43 Å²	43	105.1 Å²	105.1	19%	0.189	51%	0.508	C	S	.	.			trans	-84	47.4	-172.6	-77.9	-64.8	0	0	0	112.8	F62 Y66 F67 P265 F266	F62-F64 HydrophobicContact CB-CD2 3.21Å; F62-F64 HydrophobicContact CB-CE1 4.41Å; F62-F64 HydrophobicContact CB-CE2 2.97Å; F62-F64 HydrophobicContact CB-CG 4.03Å; F62-F64 HydrophobicContact CB-CZ 3.63Å; F62-F64 HydrophobicContact CD1-CE1 4.33Å; F62-F64 AromaticContact CD1-CE2 3.96Å; F62-F64 HydrophobicContact CD1-CE2 3.96Å; F62-F64 AromaticContact CD1-CZ 3.68Å; F62-F64 HydrophobicContact CD1-CZ 3.68Å; F62-F64 HydrophobicContact CD2-CE2 4.16Å; F62-F64 HydrophobicContact CD2-CZ 4.49Å; F62-F64 HydrophobicContact CE1-CZ 4.46Å; F62-F64 HydrophobicContact CG-CD2 4.2Å; F62-F64 AromaticContact CG-CE2 3.48Å; F62-F64 HydrophobicContact CG-CE2 3.48Å; F62-F64 VanDerWaalsContact CG-CE2 3.48Å; F62-F64 AromaticContact CG-CZ 3.71Å; F62-F64 HydrophobicContact CG-CZ 3.71Å; F62-F64 PolarHBondContact O-N 3.11Å; F64-Y66 PolarHBondContact O-N 3.14Å; F64-F67 AromaticContact CD1-CD2 3.69Å; F64-F67 HydrophobicContact CD1-CD2 3.69Å; F64-F67 AromaticContact CD1-CE2 3.99Å; F64-F67 HydrophobicContact CD1-CE2 3.99Å; F64-F67 HydrophobicContact CE1-CD2 4.3Å; F64-F67 HydrophobicContact CE1-CE2 4.2Å; F64-F67 HydrophobicContact CG-CD2 4.49Å; F64-F67 PolarHBondContact O-N 2.92Å; F64-P265 HydrophobicContact CB-CB 4.24Å; F64-P265 HydrophobicContact CB-CG 3.11Å; F64-P265 HydrophobicContact CD2-CG 4.19Å; F64-P265 HydrophobicContact CG-CG 3.97Å; F64-F266 HydrophobicContact CD1-CZ 4.42Å; F64-F266 AromaticContact CD2-CE2 3.97Å; F64-F266 HydrophobicContact CD2-CE2 3.97Å; F64-F266 HydrophobicContact CD2-CZ 4.49Å; F64-F266 HydrophobicContact CE1-CE1 4.44Å; F64-F266 HydrophobicContact CE1-CE2 4.08Å; F64-F266 AromaticContact CE1-CZ 3.64Å; F64-F266 HydrophobicContact CE1-CZ 3.64Å; F64-F266 HydrophobicContact CE2-CD2 4.24Å; F64-F266 AromaticContact CE2-CE2 3.26Å; F64-F266 HydrophobicContact CE2-CE2 3.26Å; F64-F266 AromaticContact CE2-CZ 3.71Å; F64-F266 HydrophobicContact CE2-CZ 3.71Å; F64-F266 HydrophobicContact CZ-CE1 4.4Å; F64-F266 AromaticContact CZ-CE2 3.37Å; F64-F266 HydrophobicContact CZ-CE2 3.37Å; F64-F266 AromaticContact CZ-CZ 3.25Å; F64-F266 HydrophobicContact CZ-CZ 3.25Å
65	Q	39.9	Very low	53.8	Low	159 Å²	159	104.7 Å²	104.7	74%	0.743	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-14	175.3	-148.8	172.8	4	0	0	112.6	N63	N63-Q65 PolarHBondContact O-N 2.78Å
66	Y	35	Very low	55	Low	209 Å²	209	105.1 Å²	105.1	82%	0.82	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.3	-179.2	-76.7	-82	0	0	0	116.1	F64	F64-Y66 PolarHBondContact O-N 3.14Å
67	F	38	Very low	55.9	Low	109 Å²	109	104.7 Å²	104.7	48%	0.478	52%	0.517	S	S	.	.	S	Bend	trans	-104.7	0.9	-177	-79.9	-86.4	0	0	0	115	F64 S69 P265	F64-F67 AromaticContact CD1-CD2 3.69Å; F64-F67 HydrophobicContact CD1-CD2 3.69Å; F64-F67 AromaticContact CD1-CE2 3.99Å; F64-F67 HydrophobicContact CD1-CE2 3.99Å; F64-F67 HydrophobicContact CE1-CD2 4.3Å; F64-F67 HydrophobicContact CE1-CE2 4.2Å; F64-F67 HydrophobicContact CG-CD2 4.49Å; F64-F67 PolarHBondContact O-N 2.92Å; F67-S69 VanDerWaalsContact C-N 3.26Å; F67-S69 PolarHBondContact O-N 3.18Å; F67-P265 HydrophobicContact CB-CB 3.99Å; F67-P265 WeakPolarHBondContact CB-O 3.3Å
68	C	39.2	Very low	56.3	Low	88 Å²	88	99.7 Å²	99.7	60%	0.595	51%	0.51	S	S	*	.			trans	-74.2	-5.8	-177.2	-71	0	0	0	0	115.5
69	S	48.5	Very low	56.4	Low	88 Å²	88	93.4 Å²	93.4	62%	0.615	48%	0.481	S	S	*	.	S	Bend	trans	-83.6	127.9	170.7	56.3	0	0	0	0	109.6	F67	F67-S69 VanDerWaalsContact C-N 3.26Å; F67-S69 PolarHBondContact O-N 3.18Å
70	W	51.7	Low	57.3	Low	58 Å²	58	92.1 Å²	92.1	22%	0.22	48%	0.476	C	S	.	.			trans	-41	133.9	164	-42.3	98.5	0	0	0	110.1	K72 Q234 Y236 A268 V269 C312 G313	W70-K72 VanDerWaalsContact C-N 3.31Å; W70-K72 PolarHBondContact O-N 3.43Å; W70-Q234 HydrophobicContact CH2-CB 3.32Å; W70-Q234 HydrophobicContact CH2-CG 4.23Å; W70-Q234 HydrophobicContact CZ2-CB 4.33Å; W70-Q234 VanDerWaalsContact CZ2-OE1 3.29Å; W70-Q234 HydrophobicContact CZ3-CB 3.91Å; W70-Y236 VanDerWaalsContact CZ2-OH 3.3Å; W70-Y236 WeakPolarHBondContact CZ2-OH 3.12Å; W70-A268 HydrophobicContact CD2-CB 4.33Å; W70-A268 HydrophobicContact CE3-CB 3.53Å; W70-A268 HydrophobicContact CZ3-CB 3.84Å; W70-A268 VanDerWaalsContact CZ3-O 3.3Å; W70-A268 WeakPolarHBondContact CZ3-O 3.32Å; W70-V269 HydrophobicContact CE3-CG1 4.45Å; W70-V269 HydrophobicContact CZ3-CG1 3.87Å; W70-C312 WeakPolarHBondContact CH2-O 3.48Å; W70-C312 VanDerWaalsContact CZ3-O 3.28Å; W70-C312 WeakPolarHBondContact CZ3-O 3.47Å; W70-G313 VanDerWaalsContact CH2-N 3.33Å
71	P	59.3	Low	58.5	Low	68 Å²	68	91.6 Å²	91.6	44%	0.442	47%	0.472	S	S	.	.			trans	-55.2	109	159.7	23.4	-29	0	0	0	105.7	P73 S316	P71-P73 WeakPolarHBondContact O-CD 3.45Å; P71-P73 VanDerWaalsContact O-N 3.16Å; P71-S316 PolarHBondContact O-OG 3.45Å
72	K	69.9	Low	59.4	Low	191 Å²	191	90.1 Å²	90.1	83%	0.83	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-57.8	123.4	-179.9	-78.5	-176.3	178.3	177.1	0	106	W70	W70-K72 VanDerWaalsContact C-N 3.31Å; W70-K72 PolarHBondContact O-N 3.43Å
73	P	80.8	Confident	60.7	Low	30 Å²	30	86.8 Å²	86.8	20%	0.195	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-50	130.6	176.7	-30.8	37.3	0	0	0	109.2	P71 S214 N215 N310 E315	P71-P73 WeakPolarHBondContact O-CD 3.45Å; P71-P73 VanDerWaalsContact O-N 3.16Å; P73-S214 WeakPolarHBondContact CB-O 3.41Å; P73-N215 HydrophobicContact CB-CB 3.95Å; P73-N310 VanDerWaalsContact CD-ND2 3.32Å; P73-N310 WeakPolarHBondContact CD-ND2 3.39Å; P73-N310 HydrophobicContact CG-CB 3.85Å; P73-N310 VanDerWaalsContact CG-CG 3.48Å; P73-E315 HydrophobicContact CG-CB 4.07Å
74	P	83	Confident	62.6	Low	41 Å²	41	80 Å²	80	27%	0.266	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-59.4	140.6	175.7	25.3	-33.3	0	0	0	108.7	S76 G212 A213 N215	P74-S76 PolarHBondContact O-N 3.08Å; P74-G212 VanDerWaalsContact CD-O 3.24Å; P74-G212 WeakPolarHBondContact CD-O 3.15Å; P74-A213 WeakPolarHBondContact CG-O 3.23Å; P74-N215 WeakPolarHBondContact O-CB 3.13Å; P74-N215 PolarHBondContact O-ND2 3.2Å; P74-N215 VanDerWaalsContact O-ND2 3.09Å
75	P	81.9	Confident	64.4	Low	117 Å²	117	81.9 Å²	81.9	76%	0.76	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-61.4	136.4	180	27	-34	0	0	0	109.9
76	S	79.2	Confident	66.2	Low	15 Å²	15	78.3 Å²	78.3	11%	0.105	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-60.1	143.6	170.2	-44.7	0	0	0	0	110.5	P74 K81 N215 D217	P74-S76 PolarHBondContact O-N 3.08Å; S76-K81 WeakPolarHBondContact O-CE 3.29Å; S76-N215 PolarHBondContact OG-ND2 2.88Å; S76-N215 PolarHBondContact OG-OD1 2.79Å; S76-N215 VanDerWaalsContact OG-OD1 3.11Å; S76-D217 WeakPolarHBondContact CB-OD2 2.87Å; S76-D217 WeakPolarHBondContact OG-CB 3.41Å; S76-D217 PolarHBondContact OG-OD2 3.18Å
77	S	73.7	Confident	68.5	Low	32 Å²	32	69.2 Å²	69.2	22%	0.224	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-56.3	153.9	169.4	75.4	0	0	0	0	109.9	E79 T80 K81 T563	S77-E79 PolarHBondContact O-N 2.91Å; S77-T80 PolarHBondContact O-N 2.86Å; S77-T80 WeakPolarHBondContact OG-CB 3.08Å; S77-T80 PolarHBondContact OG-N 3.47Å; S77-T80 PolarHBondContact OG-OG1 3.47Å; S77-K81 PolarHBondContact O-N 3.44Å; S77-K81 VanDerWaalsContact O-N 3.12Å; S77-T563 VanDerWaalsContact OG-CB 3.22Å; S77-T563 WeakPolarHBondContact OG-CB 3.44Å; S77-T563 PolarHBondContact OG-OG1 3.42Å; S77-T563 VanDerWaalsContact OG-OG1 3.11Å
78	A	63.8	Low	71	Confident	77 Å²	77	66.6 Å²	66.6	64%	0.636	39%	0.393	S	S	*	.	H	α-helix	trans	-54.1	-27.3	-179	0	0	0	0	0	112.5	K81 R82	A78-K81 WeakPolarHBondContact O-CB 3.48Å; A78-R82 WeakPolarHBondContact O-CG 3.49Å; A78-R82 PolarHBondContact O-N 2.92Å
79	E	56.9	Low	73.6	Confident	21 Å²	21	68.2 Å²	68.2	10%	0.098	39%	0.392	C	S	.	.	H	α-helix	trans	-99.3	-27	-179.4	-170.2	-168.2	132.8	0	0	114.5	S77 K81 R82 I83 A562 T563	S77-E79 PolarHBondContact O-N 2.91Å; E79-K81 PolarHBondContact O-N 3.47Å; E79-R82 HydrophobicContact CG-CB 4.15Å; E79-R82 CarbonylContact O-C 3.52Å; E79-R82 WeakPolarHBondContact O-CA 3.3Å; E79-R82 WeakPolarHBondContact O-CB 3.2Å; E79-R82 PolarHBondContact O-N 3.38Å; E79-R82 IonicContact OE2-NH2 3.98Å; E79-R82 PolarHBondContact OE2-NH2 3.3Å; E79-I83 HydrophobicContact CG-CD1 4.38Å; E79-I83 HydrophobicContact CG-CG1 4.24Å; E79-I83 WeakPolarHBondContact O-CG1 3.44Å; E79-I83 PolarHBondContact O-N 3.31Å; E79-A562 VanDerWaalsContact CD-C 3.41Å; E79-A562 WeakPolarHBondContact OE1-CA 3.36Å; E79-T563 HydrophobicContact CB-CG2 3.49Å; E79-T563 VanDerWaalsContact CB-CG2 3.49Å; E79-T563 HydrophobicContact CG-CG2 3.59Å; E79-T563 PolarHBondContact OE1-N 2.87Å; E79-T563 PolarHBondContact OE2-N 2.79Å
80	T	70.9	Confident	76	Confident	16 Å²	16	68.6 Å²	68.6	10%	0.098	38%	0.384	C	S	.	.	H	α-helix	trans	-54.9	-39	164.3	-61.9	0	0	0	0	108.5	S77 A84 D217 L218 L221	S77-T80 PolarHBondContact O-N 2.86Å; S77-T80 WeakPolarHBondContact OG-CB 3.08Å; S77-T80 PolarHBondContact OG-N 3.47Å; S77-T80 PolarHBondContact OG-OG1 3.47Å; T80-A84 WeakPolarHBondContact O-CB 3.01Å; T80-A84 PolarHBondContact O-N 3.12Å; T80-D217 HydrophobicContact CG2-CB 3.7Å; T80-L218 HydrophobicContact CG2-CD2 3.96Å; T80-L218 HydrophobicContact CG2-CG 4.25Å; T80-L221 HydrophobicContact CG2-CD1 3.87Å
81	K	77.5	Confident	78.1	Confident	104 Å²	104	67.4 Å²	67.4	45%	0.452	38%	0.38	S	S	.	.	H	α-helix	trans	-60.8	-44	168.7	-68.2	176.6	-179.1	-179.6	0	113.4	S76 S77 A78 E79 A85 D217	S76-K81 WeakPolarHBondContact O-CE 3.29Å; S77-K81 PolarHBondContact O-N 3.44Å; S77-K81 VanDerWaalsContact O-N 3.12Å; A78-K81 WeakPolarHBondContact O-CB 3.48Å; E79-K81 PolarHBondContact O-N 3.47Å; K81-A85 WeakPolarHBondContact O-CB 3.46Å; K81-A85 PolarHBondContact O-N 3.26Å; K81-D217 VanDerWaalsContact CG-OD2 3.24Å; K81-D217 WeakPolarHBondContact CG-OD2 3.14Å
82	R	70.5	Confident	80	Confident	150 Å²	150	65.8 Å²	65.8	57%	0.566	37%	0.368	S	S	*	.	H	α-helix	trans	-64	-45.9	177.7	-71.3	-174.7	-66.9	-149.1	8.1	112.3	A78 E79 A85 A86	A78-R82 WeakPolarHBondContact O-CG 3.49Å; A78-R82 PolarHBondContact O-N 2.92Å; E79-R82 HydrophobicContact CG-CB 4.15Å; E79-R82 CarbonylContact O-C 3.52Å; E79-R82 WeakPolarHBondContact O-CA 3.3Å; E79-R82 WeakPolarHBondContact O-CB 3.2Å; E79-R82 PolarHBondContact O-N 3.38Å; E79-R82 IonicContact OE2-NH2 3.98Å; E79-R82 PolarHBondContact OE2-NH2 3.3Å; R82-A85 PolarHBondContact O-N 2.82Å; R82-A86 PolarHBondContact O-N 3.26Å
83	I	69.7	Low	81.3	Confident	64 Å²	64	57.7 Å²	57.7	33%	0.328	33%	0.332	S	S	.	.	H	α-helix	trans	-65.4	-48.8	178.5	-59.8	170.8	0	0	0	109.2	E79 A85 A86 L87 L221 T563	E79-I83 HydrophobicContact CG-CD1 4.38Å; E79-I83 HydrophobicContact CG-CG1 4.24Å; E79-I83 WeakPolarHBondContact O-CG1 3.44Å; E79-I83 PolarHBondContact O-N 3.31Å; I83-A85 VanDerWaalsContact C-N 3.27Å; I83-A85 PolarHBondContact O-N 2.82Å; I83-A86 WeakPolarHBondContact O-CB 3.28Å; I83-A86 PolarHBondContact O-N 2.81Å; I83-L87 PolarHBondContact O-N 3.49Å; I83-L221 HydrophobicContact CG2-CD2 3.64Å; I83-T563 HydrophobicContact CD1-CG2 3.59Å
84	A	80.7	Confident	82.1	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-61.4	-34.8	176	0	0	0	0	0	112.4	T80 A86 L87 D217 K220 L221	T80-A84 WeakPolarHBondContact O-CB 3.01Å; T80-A84 PolarHBondContact O-N 3.12Å; A84-A86 VanDerWaalsContact C-N 3.32Å; A84-L87 WeakPolarHBondContact O-CB 3.3Å; A84-L87 PolarHBondContact O-N 2.54Å; A84-D217 HydrophobicContact CB-CB 3.66Å; A84-D217 WeakPolarHBondContact CB-OD1 3.43Å; A84-K220 HydrophobicContact CB-CD 4.25Å; A84-K220 PolarHBondContact O-NZ 2.82Å; A84-L221 HydrophobicContact CB-CG 4.5Å
85	A	82.2	Confident	82.7	Confident	81 Å²	81	62.2 Å²	62.2	67%	0.669	35%	0.348	S	S	*	.	H	α-helix	trans	-71.1	-24.1	173.8	0	0	0	0	0	113.4	K81 R82 I83	K81-A85 WeakPolarHBondContact O-CB 3.46Å; K81-A85 PolarHBondContact O-N 3.26Å; R82-A85 PolarHBondContact O-N 2.82Å; I83-A85 VanDerWaalsContact C-N 3.27Å; I83-A85 PolarHBondContact O-N 2.82Å
86	A	78.2	Confident	83	Confident	85 Å²	85	58.5 Å²	58.5	70%	0.702	32%	0.323	S	S	*	.	H	α-helix	trans	-78.1	-20.5	173.8	0	0	0	0	0	112.9	R82 I83 A84	R82-A86 PolarHBondContact O-N 3.26Å; I83-A86 WeakPolarHBondContact O-CB 3.28Å; I83-A86 PolarHBondContact O-N 2.81Å; A84-A86 VanDerWaalsContact C-N 3.32Å
87	L	83.6	Confident	83.3	Confident	17 Å²	17	63.8 Å²	63.8	9%	0.089	36%	0.36	C	S	.	.	S	Bend	trans	-65.6	154.1	170.9	-59.9	-173.9	0	0	0	111.1	I83 A84 K220 L221 Y224	I83-L87 PolarHBondContact O-N 3.49Å; A84-L87 WeakPolarHBondContact O-CB 3.3Å; A84-L87 PolarHBondContact O-N 2.54Å; L87-K220 HydrophobicContact CD1-CD 4.32Å; L87-K220 HydrophobicContact CD1-CG 4.16Å; L87-L221 HydrophobicContact CD1-CD2 3.79Å; L87-L221 HydrophobicContact CD1-CG 4.33Å; L87-L221 HydrophobicContact CG-CD2 4.32Å; L87-Y224 HydrophobicContact CD1-CD1 4.14Å; L87-Y224 HydrophobicContact CD1-CG 4.01Å; L87-Y224 HydrophobicContact CD2-CD1 3.46Å; L87-Y224 VanDerWaalsContact CD2-CD1 3.46Å; L87-Y224 HydrophobicContact CD2-CE1 3.6Å; L87-Y224 HydrophobicContact CD2-CG 4.03Å; L87-Y224 HydrophobicContact CG-CD1 4.36Å
88	P	90.8	Very high	84.1	Confident	55 Å²	55	65.4 Å²	65.4	36%	0.357	38%	0.381	S	S	.	.			trans	-48.2	146.8	174.3	-28.3	36.2	0	0	0	112.5	H90 K220 Y224 Y278	P88-H90 VanDerWaalsContact C-N 3.26Å; P88-H90 WeakPolarHBondContact CB-O 3.31Å; P88-K220 WeakPolarHBondContact O-CE 3.21Å; P88-K220 PolarHBondContact O-NZ 2.82Å; P88-Y224 HydrophobicContact CG-CE2 3.8Å; P88-Y278 VanDerWaalsContact O-CE2 3.25Å; P88-Y278 WeakPolarHBondContact O-CE2 3.34Å
89	E	93.5	Very high	85.5	Confident	121 Å²	121	64.4 Å²	64.4	57%	0.565	37%	0.367	S	S	*	.	S	Bend	trans	-68.6	-31.2	175.1	-176.4	169.7	65.9	0	0	111.6	V280	E89-V280 HydrophobicContact CG-CB 3.88Å; E89-V280 HydrophobicContact CG-CG2 3.38Å
90	H	97.5	Very high	87.3	Confident	97 Å²	97	67.2 Å²	67.2	45%	0.449	38%	0.382	S	S	.	.			trans	-121.8	132.4	177.6	-65.3	-99.7	0	0	0	110.7	P88 V280	P88-H90 VanDerWaalsContact C-N 3.26Å; P88-H90 WeakPolarHBondContact CB-O 3.31Å; H90-V280 PolarHBondContact CE1-N 2.86Å; H90-V280 PolarHBondContact CE1-O 3.42Å; H90-V280 PolarHBondContact NE2-O 3.27Å
91	F	97.1	Very high	88.5	Confident	32 Å²	32	67.6 Å²	67.6	14%	0.14	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	132.3	173	-173.6	-110.2	0	0	0	110.1	W93 V96 V223 Y224 G277 Y278	F91-W93 AromaticContact CE1-CD1 3.84Å; F91-W93 AromaticContact CE1-CD2 3.94Å; F91-W93 HydrophobicContact CE1-CD2 3.94Å; F91-W93 AromaticContact CE1-CE2 3.38Å; F91-W93 HydrophobicContact CE1-CG 4.21Å; F91-W93 AromaticContact CE1-CZ2 3.72Å; F91-W93 HydrophobicContact CE1-CZ2 3.72Å; F91-W93 AromaticContact CE1-NE1 3.33Å; F91-W93 VanDerWaalsContact CE1-NE1 3.33Å; F91-W93 AromaticContact CZ-CD2 4Å; F91-W93 HydrophobicContact CZ-CD2 4Å; F91-W93 AromaticContact CZ-CE2 3.6Å; F91-W93 HydrophobicContact CZ-CE3 4.33Å; F91-W93 AromaticContact CZ-CH2 3.95Å; F91-W93 HydrophobicContact CZ-CH2 3.95Å; F91-W93 AromaticContact CZ-CZ2 3.58Å; F91-W93 HydrophobicContact CZ-CZ2 3.58Å; F91-W93 HydrophobicContact CZ-CZ3 4.31Å; F91-V96 HydrophobicContact CE2-CG2 4.14Å; F91-V96 HydrophobicContact CZ-CG2 4.19Å; F91-V223 HydrophobicContact CD1-CG1 4.44Å; F91-Y224 HydrophobicContact CB-CD2 4.43Å; F91-Y224 AromaticContact CD1-CD2 3.98Å; F91-Y224 HydrophobicContact CD1-CD2 3.98Å; F91-Y224 AromaticContact CD2-CD2 3.74Å; F91-Y224 HydrophobicContact CD2-CD2 3.74Å; F91-Y224 AromaticContact CD2-CE2 3.88Å; F91-Y224 HydrophobicContact CD2-CE2 3.88Å; F91-Y224 HydrophobicContact CE1-CD2 4.07Å; F91-Y224 AromaticContact CE2-CD2 3.88Å; F91-Y224 HydrophobicContact CE2-CD2 3.88Å; F91-Y224 AromaticContact CE2-CE2 3.94Å; F91-Y224 HydrophobicContact CE2-CE2 3.94Å; F91-Y224 AromaticContact CG-CD2 3.79Å; F91-Y224 HydrophobicContact CG-CD2 3.79Å; F91-Y224 HydrophobicContact CG-CE2 4.38Å; F91-Y224 HydrophobicContact CZ-CD2 4.04Å; F91-Y224 HydrophobicContact CZ-CE2 4.46Å; F91-G277 CarbonylContact O-C 3.59Å; F91-G277 WeakPolarHBondContact O-CA 3.33Å; F91-Y278 HydrophobicContact CB-CD1 4.5Å; F91-Y278 HydrophobicContact CB-CD2 4.31Å; F91-Y278 HydrophobicContact CB-CE1 3.91Å; F91-Y278 HydrophobicContact CB-CE2 3.64Å; F91-Y278 VanDerWaalsContact CB-CZ 3.44Å; F91-Y278 HydrophobicContact CD1-CE1 4.24Å; F91-Y278 PolarHBondContact N-O 2.66Å; F91-Y278 PolarHBondContact O-N 3.07Å; F91-Y278 VanDerWaalsContact O-O 3.08Å
92	D	98.2	Very high	89.5	Confident	35 Å²	35	62.8 Å²	62.8	19%	0.187	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	112.3	-175.3	-172	-10.3	0	0	0	110	R94 N95 V96 I288	D92-R94 PolarHBondContact O-N 2.87Å; D92-R94 VanDerWaalsContact O-N 3.1Å; D92-R94 WeakPolarHBondContact OD1-CB 3.48Å; D92-R94 VanDerWaalsContact OD1-CG 3.24Å; D92-R94 WeakPolarHBondContact OD1-CG 3.48Å; D92-R94 IonicContact OD1-CZ 2.77Å; D92-R94 PolarHBondContact OD1-N 3.27Å; D92-R94 IonicContact OD1-NE 2.81Å; D92-R94 PolarHBondContact OD1-NE 3.45Å; D92-R94 IonicContact OD1-NH2 4Å; D92-R94 IonicContact OD2-CZ 3.83Å; D92-R94 VanDerWaalsContact OD2-CZ 3.29Å; D92-R94 IonicContact OD2-NE 3.87Å; D92-R94 PolarHBondContact OD2-NE 2.95Å; D92-R94 IonicContact OD2-NH2 3.15Å; D92-R94 PolarHBondContact OD2-NH2 3.14Å; D92-N95 CarbonylContact O-C 3.58Å; D92-N95 PolarHBondContact O-N 2.72Å; D92-V96 WeakPolarHBondContact O-CG2 3.42Å; D92-I288 HydrophobicContact CB-CD1 3.86Å
93	W	97.9	Very high	90.6	Very high	21 Å²	21	55.8 Å²	55.8	8%	0.08	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.1	177.5	-78.5	113.4	0	0	0	113.6	F91 N95 V96 Y101 V102 I129 V223 P228 V276	F91-W93 AromaticContact CE1-CD1 3.84Å; F91-W93 AromaticContact CE1-CD2 3.94Å; F91-W93 HydrophobicContact CE1-CD2 3.94Å; F91-W93 AromaticContact CE1-CE2 3.38Å; F91-W93 HydrophobicContact CE1-CG 4.21Å; F91-W93 AromaticContact CE1-CZ2 3.72Å; F91-W93 HydrophobicContact CE1-CZ2 3.72Å; F91-W93 AromaticContact CE1-NE1 3.33Å; F91-W93 VanDerWaalsContact CE1-NE1 3.33Å; F91-W93 AromaticContact CZ-CD2 4Å; F91-W93 HydrophobicContact CZ-CD2 4Å; F91-W93 AromaticContact CZ-CE2 3.6Å; F91-W93 HydrophobicContact CZ-CE3 4.33Å; F91-W93 AromaticContact CZ-CH2 3.95Å; F91-W93 HydrophobicContact CZ-CH2 3.95Å; F91-W93 AromaticContact CZ-CZ2 3.58Å; F91-W93 HydrophobicContact CZ-CZ2 3.58Å; F91-W93 HydrophobicContact CZ-CZ3 4.31Å; W93-N95 PolarHBondContact O-N 3.46Å; W93-V96 HydrophobicContact CD2-CG2 4.28Å; W93-V96 HydrophobicContact CE3-CG2 3.57Å; W93-V96 HydrophobicContact CZ3-CG2 3.95Å; W93-Y101 AromaticContact CE3-CD2 3.86Å; W93-Y101 HydrophobicContact CE3-CD2 3.86Å; W93-Y101 HydrophobicContact CE3-CG 4.18Å; W93-Y101 HydrophobicContact CZ3-CD2 4.09Å; W93-Y101 HydrophobicContact CZ3-CG 4.47Å; W93-Y101 PolarHBondContact O-N 3.07Å; W93-V102 HydrophobicContact CB-CG2 3.51Å; W93-I129 HydrophobicContact CD2-CD1 3.63Å; W93-I129 HydrophobicContact CD2-CG1 4.29Å; W93-I129 HydrophobicContact CE3-CD1 3.63Å; W93-I129 HydrophobicContact CE3-CG1 3.77Å; W93-I129 HydrophobicContact CG-CD1 4.31Å; W93-I129 HydrophobicContact CH2-CD1 3.85Å; W93-I129 HydrophobicContact CH2-CG1 4.1Å; W93-I129 HydrophobicContact CH2-CG2 3.89Å; W93-I129 HydrophobicContact CZ2-CD1 3.84Å; W93-I129 HydrophobicContact CZ3-CD1 3.75Å; W93-I129 HydrophobicContact CZ3-CG1 3.67Å; W93-I129 HydrophobicContact CZ3-CG2 4.06Å; W93-V223 PolarHBondContact NE1-O 3.16Å; W93-P228 HydrophobicContact CB-CG 4.42Å; W93-P228 HydrophobicContact CG-CG 4.23Å; W93-V276 WeakPolarHBondContact CB-O 3.3Å; W93-V276 PolarHBondContact N-O 3.18Å; W93-V276 VanDerWaalsContact N-O 3.1Å
94	R	97.4	Very high	91.8	Very high	67 Å²	67	57.7 Å²	57.7	25%	0.253	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.3	173	-53.4	171.9	-60.8	172.4	8.4	112.4	D92 N100 V102 V276 I288 Y302	D92-R94 PolarHBondContact O-N 2.87Å; D92-R94 VanDerWaalsContact O-N 3.1Å; D92-R94 WeakPolarHBondContact OD1-CB 3.48Å; D92-R94 VanDerWaalsContact OD1-CG 3.24Å; D92-R94 WeakPolarHBondContact OD1-CG 3.48Å; D92-R94 IonicContact OD1-CZ 2.77Å; D92-R94 PolarHBondContact OD1-N 3.27Å; D92-R94 IonicContact OD1-NE 2.81Å; D92-R94 PolarHBondContact OD1-NE 3.45Å; D92-R94 IonicContact OD1-NH2 4Å; D92-R94 IonicContact OD2-CZ 3.83Å; D92-R94 VanDerWaalsContact OD2-CZ 3.29Å; D92-R94 IonicContact OD2-NE 3.87Å; D92-R94 PolarHBondContact OD2-NE 2.95Å; D92-R94 IonicContact OD2-NH2 3.15Å; D92-R94 PolarHBondContact OD2-NH2 3.14Å; R94-N100 WeakPolarHBondContact CA-OD1 3.4Å; R94-N100 VanDerWaalsContact O-CA 3.3Å; R94-N100 WeakPolarHBondContact O-CA 3.46Å; R94-N100 WeakPolarHBondContact O-CB 3.29Å; R94-V102 HydrophobicContact CG-CB 4.05Å; R94-V102 HydrophobicContact CG-CG2 3.74Å; R94-V276 HydrophobicContact CG-CG2 4.38Å; R94-I288 VanDerWaalsContact CZ-CG2 3.41Å; R94-Y302 HydrophobicContact CG-CE1 4.43Å
95	N	96	Very high	92.6	Very high	99 Å²	99	58.3 Å²	58.3	53%	0.529	35%	0.35	S	S	.	.			trans	-153	77.9	179.9	-174.6	4.1	0	0	0	111.4	D92 W93 G98 V99	D92-N95 CarbonylContact O-C 3.58Å; D92-N95 PolarHBondContact O-N 2.72Å; W93-N95 PolarHBondContact O-N 3.46Å; N95-G98 WeakPolarHBondContact OD1-CA 3.48Å; N95-G98 PolarHBondContact OD1-N 3.22Å; N95-V99 WeakPolarHBondContact CA-O 3.49Å
96	V	88.3	Confident	93.3	Very high	39 Å²	39	57 Å²	57	24%	0.236	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-96.2	99.4	169	-177.4	0	0	0	0	108	F91 D92 W93 G98 V99 Y101	F91-V96 HydrophobicContact CE2-CG2 4.14Å; F91-V96 HydrophobicContact CZ-CG2 4.19Å; D92-V96 WeakPolarHBondContact O-CG2 3.42Å; W93-V96 HydrophobicContact CD2-CG2 4.28Å; W93-V96 HydrophobicContact CE3-CG2 3.57Å; W93-V96 HydrophobicContact CZ3-CG2 3.95Å; V96-G98 VanDerWaalsContact C-N 3.29Å; V96-G98 PolarHBondContact O-N 2.86Å; V96-V99 PolarHBondContact N-O 3.4Å; V96-V99 PolarHBondContact O-N 2.72Å; V96-V99 VanDerWaalsContact O-N 3.14Å; V96-Y101 HydrophobicContact CB-CD2 4.23Å; V96-Y101 HydrophobicContact CB-CE2 4.08Å; V96-Y101 HydrophobicContact CG2-CD2 4.31Å
97	S	85.4	Confident	94.1	Very high	126 Å²	126	54.5 Å²	54.5	88%	0.881	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	40.7	-176.8	-52.1	0	0	0	0	113.6
98	G	90.4	Very high	94.5	Very high	65 Å²	65	53.7 Å²	53.7	67%	0.67	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-3.7	-179.1	0	0	0	0	0	114.9	N95 V96	N95-G98 WeakPolarHBondContact OD1-CA 3.48Å; N95-G98 PolarHBondContact OD1-N 3.22Å; V96-G98 VanDerWaalsContact C-N 3.29Å; V96-G98 PolarHBondContact O-N 2.86Å
99	V	91.8	Very high	94.5	Very high	57 Å²	57	55.4 Å²	55.4	35%	0.345	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-105.4	129.5	-178.5	-175	0	0	0	0	110.6	N95 V96 Y101 N133	N95-V99 WeakPolarHBondContact CA-O 3.49Å; V96-V99 PolarHBondContact N-O 3.4Å; V96-V99 PolarHBondContact O-N 2.72Å; V96-V99 VanDerWaalsContact O-N 3.14Å; V99-Y101 HydrophobicContact CB-CE2 3.85Å; V99-Y101 HydrophobicContact CG1-CD2 4.15Å; V99-Y101 HydrophobicContact CG1-CE1 4.13Å; V99-Y101 HydrophobicContact CG1-CE2 3.6Å; V99-N133 WeakPolarHBondContact CG1-ND2 3.25Å
100	N	95.9	Very high	94.2	Very high	79 Å²	79	55.5 Å²	55.5	42%	0.422	30%	0.297	S	S	.	.			trans	-93.3	121.8	173.8	-178.2	2.2	0	0	0	110.6	R94 V102 N133	R94-N100 WeakPolarHBondContact CA-OD1 3.4Å; R94-N100 VanDerWaalsContact O-CA 3.3Å; R94-N100 WeakPolarHBondContact O-CA 3.46Å; R94-N100 WeakPolarHBondContact O-CB 3.29Å; N100-V102 PolarHBondContact OD1-N 3.16Å; N100-V102 PolarHBondContact OD1-O 3.48Å; N100-N133 PolarHBondContact O-ND2 3.1Å
101	Y	96.7	Very high	93.8	Very high	24 Å²	24	51 Å²	51	9%	0.094	28%	0.276	C	S	.	.			trans	-106.1	-5.8	176.9	-69.5	-78.7	0	0	0	114	W93 V96 V99 S125 R128 I129 N133	W93-Y101 AromaticContact CE3-CD2 3.86Å; W93-Y101 HydrophobicContact CE3-CD2 3.86Å; W93-Y101 HydrophobicContact CE3-CG 4.18Å; W93-Y101 HydrophobicContact CZ3-CD2 4.09Å; W93-Y101 HydrophobicContact CZ3-CG 4.47Å; W93-Y101 PolarHBondContact O-N 3.07Å; V96-Y101 HydrophobicContact CB-CD2 4.23Å; V96-Y101 HydrophobicContact CB-CE2 4.08Å; V96-Y101 HydrophobicContact CG2-CD2 4.31Å; V99-Y101 HydrophobicContact CB-CE2 3.85Å; V99-Y101 HydrophobicContact CG1-CD2 4.15Å; V99-Y101 HydrophobicContact CG1-CE1 4.13Å; V99-Y101 HydrophobicContact CG1-CE2 3.6Å; Y101-S125 WeakPolarHBondContact O-CA 3.49Å; Y101-R128 HydrophobicContact CD1-CB 4.22Å; Y101-R128 WeakPolarHBondContact CD1-O 3.37Å; Y101-R128 WeakPolarHBondContact CE1-O 3.36Å; Y101-R128 WeakPolarHBondContact O-CD 3.42Å; Y101-I129 HydrophobicContact CD1-CG1 4.12Å; Y101-I129 HydrophobicContact CG-CG1 3.98Å; Y101-N133 WeakPolarHBondContact CD1-ND2 3.38Å; Y101-N133 HydrophobicContact CE1-CB 4.48Å
102	V	97.9	Very high	93.3	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.024	27%	0.269	C	S	.	.	S	Bend	trans	-85.9	135.2	-178.7	-176.5	0	0	0	0	109.6	W93 R94 N100 S125 V276 K290	W93-V102 HydrophobicContact CB-CG2 3.51Å; R94-V102 HydrophobicContact CG-CB 4.05Å; R94-V102 HydrophobicContact CG-CG2 3.74Å; N100-V102 PolarHBondContact OD1-N 3.16Å; N100-V102 PolarHBondContact OD1-O 3.48Å; V102-S125 WeakPolarHBondContact CA-OG 3.48Å; V102-V276 HydrophobicContact CG1-CB 4.47Å; V102-V276 HydrophobicContact CG1-CG1 3.83Å; V102-V276 HydrophobicContact CG2-CB 3.86Å; V102-V276 HydrophobicContact CG2-CG1 4.03Å; V102-V276 HydrophobicContact CG2-CG2 4.45Å; V102-K290 HydrophobicContact CG1-CD 3.94Å
103	S	94	Very high	93.1	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.014	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-65.9	164.9	175.3	68.1	0	0	0	0	112.7	E124 S125 K290	S103-E124 WeakPolarHBondContact CB-OE2 3.37Å; S103-E124 PolarHBondContact OG-OE2 3.36Å; S103-S125 PolarHBondContact N-OG 3.01Å; S103-K290 WeakPolarHBondContact O-CE 3.46Å; S103-K290 PolarHBondContact O-NZ 2.82Å; S103-K290 PolarHBondContact OG-NZ 3.31Å
104	D	94.9	Very high	92.9	Very high	105 Å²	105	47 Å²	47	56%	0.561	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-62.2	147.6	-179.2	-87.1	-62.4	0	0	0	113.6	K290 K295	D104-K290 VanDerWaalsContact O-CE 3.23Å; D104-K290 WeakPolarHBondContact O-CE 3.2Å; D104-K290 PolarHBondContact O-NZ 3.1Å; D104-K295 IonicContact OD1-NZ 3.39Å; D104-K295 PolarHBondContact OD1-NZ 3.21Å
105	V	97.6	Very high	92.7	Very high	14 Å²	14	43.9 Å²	43.9	9%	0.085	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-67	133.1	169.2	172.2	0	0	0	0	109.7	K290 K295 Y302	V105-K290 HydrophobicContact CG2-CG 4.19Å; V105-K295 HydrophobicContact CB-CG 3.82Å; V105-K295 HydrophobicContact CG1-CG 4.03Å; V105-Y302 HydrophobicContact CG2-CD2 4.06Å; V105-Y302 HydrophobicContact CG2-CE2 3.45Å; V105-Y302 VanDerWaalsContact CG2-CE2 3.45Å
106	R	95.9	Very high	92.7	Very high	53 Å²	53	39.1 Å²	39.1	20%	0.2	22%	0.221	C	C	.	.			trans	-120.7	170.1	178.2	-58.4	-174.1	64.7	173.1	-3.1	110.7	F117 F139 E175 S292 G294	R106-F117 HydrophobicContact CB-CD1 4.02Å; R106-F117 HydrophobicContact CB-CE1 3.72Å; R106-F139 PolarHBondContact NH1-O 2.61Å; R106-E175 IonicContact CZ-OE1 3.64Å; R106-E175 IonicContact CZ-OE2 3.24Å; R106-E175 VanDerWaalsContact CZ-OE2 3.25Å; R106-E175 IonicContact NH1-OE1 2.61Å; R106-E175 IonicContact NH1-OE2 3Å; R106-E175 PolarHBondContact NH1-OE2 3.02Å; R106-E175 IonicContact NH2-OE1 2.84Å; R106-E175 PolarHBondContact NH2-OE1 3.01Å; R106-E175 IonicContact NH2-OE2 3.63Å; R106-E175 PolarHBondContact NH2-OE2 2.94Å; R106-S292 CarbonylContact O-C 3.56Å; R106-S292 VanDerWaalsContact O-CA 3.26Å; R106-S292 WeakPolarHBondContact O-CA 3.49Å; R106-G294 PolarHBondContact O-N 3.21Å
107	D	94.5	Very high	93.2	Very high	33 Å²	33	37.8 Å²	37.8	18%	0.176	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-117.3	121.4	174.9	-172.6	-5.1	0	0	0	109.7	H109 S292	D107-H109 VanDerWaalsContact CG-ND1 3.3Å; D107-H109 PolarHBondContact O-N 3.28Å; D107-H109 WeakPolarHBondContact OD1-CA 3.31Å; D107-H109 PolarHBondContact OD1-N 2.94Å; D107-H109 IonicContact OD1-ND1 3.43Å; D107-H109 IonicContact OD2-CE1 3.01Å; D107-H109 PolarHBondContact OD2-CE1 2.98Å; D107-H109 VanDerWaalsContact OD2-CE1 3.24Å; D107-H109 IonicContact OD2-ND1 3.68Å; D107-H109 PolarHBondContact OD2-ND1 2.74Å; D107-S292 CarbonylContact C-O 3.5Å; D107-S292 WeakPolarHBondContact CA-O 3.36Å
108	Q	93.3	Very high	93.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.			trans	-73.9	-12.2	176.3	71.4	-176.7	91.6	0	0	112.6	K49 C111 F117 Y180 S292	K49-Q108 PolarHBondContact O-NE2 2.92Å; K49-Q108 PolarHBondContact O-OE1 2.89Å; Q108-C111 PolarHBondContact NE2-O 3.02Å; Q108-F117 HydrophobicContact CB-CD2 3.71Å; Q108-F117 HydrophobicContact CB-CE2 3.62Å; Q108-F117 HydrophobicContact CB-CG 4.34Å; Q108-F117 HydrophobicContact CB-CZ 4.16Å; Q108-Y180 WeakPolarHBondContact O-CE1 3.48Å; Q108-Y180 PolarHBondContact O-OH 2.94Å; Q108-S292 WeakPolarHBondContact CG-O 3.44Å; Q108-S292 PolarHBondContact N-O 3.42Å; Q108-S292 PolarHBondContact OE1-OG 3.03Å
109	H	90.7	Very high	94.1	Very high	90 Å²	90	28.8 Å²	28.8	42%	0.417	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	-145.9	-173.1	-60.2	-55.4	0	0	0	111.4	K49 D107 C111 A182	K49-H109 WeakPolarHBondContact CE-O 3.47Å; K49-H109 WeakPolarHBondContact CG-O 3.34Å; D107-H109 VanDerWaalsContact CG-ND1 3.3Å; D107-H109 PolarHBondContact O-N 3.28Å; D107-H109 WeakPolarHBondContact OD1-CA 3.31Å; D107-H109 PolarHBondContact OD1-N 2.94Å; D107-H109 IonicContact OD1-ND1 3.43Å; D107-H109 IonicContact OD2-CE1 3.01Å; D107-H109 PolarHBondContact OD2-CE1 2.98Å; D107-H109 VanDerWaalsContact OD2-CE1 3.24Å; D107-H109 IonicContact OD2-ND1 3.68Å; D107-H109 PolarHBondContact OD2-ND1 2.74Å; H109-C111 PolarHBondContact O-N 3.21Å; H109-C111 VanDerWaalsContact O-N 3.17Å; H109-A182 HydrophobicContact CB-CB 3.79Å
110	R	86.2	Confident	94.3	Very high	124 Å²	124	26.2 Å²	26.2	47%	0.468	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-6.9	-168.6	-58.2	179.3	-174.1	170.4	1.6	113.9	D45 R48	D45-R110 HydrophobicContact CB-CG 4.21Å; R48-R110 WeakPolarHBondContact CD-O 3.18Å; R48-R110 WeakPolarHBondContact CG-O 3.41Å; R48-R110 VanDerWaalsContact CZ-O 3.25Å; R48-R110 PolarHBondContact NE-O 2.83Å; R48-R110 PolarHBondContact NH2-O 3.11Å
111	C	89.5	Confident	94.4	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.014	11%	0.105	C	C	.	.	S	Bend	trans	-83.2	135.2	179.8	-178.9	0	0	0	0	110.7	Q108 H109 S113 C154 Y180 A182	Q108-C111 PolarHBondContact NE2-O 3.02Å; H109-C111 PolarHBondContact O-N 3.21Å; H109-C111 VanDerWaalsContact O-N 3.17Å; C111-S113 PolarHBondContact O-N 2.81Å; C111-S113 PolarHBondContact O-OG 2.9Å; C111-C154 HydrophobicContact CB-CB 3.93Å; C111-C154 WeakPolarHBondContact CB-SG 3.34Å; C111-C154 WeakPolarHBondContact SG-CA 3.38Å; C111-C154 WeakPolarHBondContact SG-CB 3.11Å; C111-C154 CovalentContact SG-SG 2.04Å; C111-C154 PolarHBondContact SG-SG 3.06Å; C111-Y180 WeakPolarHBondContact CB-OH 3.32Å; C111-A182 HydrophobicContact CB-CB 4.13Å; C111-A182 WeakPolarHBondContact CB-O 3.15Å
112	G	87.8	Confident	94.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-75.6	47.6	174.5	0	0	0	0	0	113.2	R48 Y115 C154 G156	R48-G112 WeakPolarHBondContact O-CA 3.4Å; G112-Y115 WeakPolarHBondContact O-CE1 3.49Å; G112-C154 WeakPolarHBondContact CA-O 3.5Å; G112-C154 PolarHBondContact N-O 3.16Å; G112-G156 WeakPolarHBondContact O-CA 3.48Å; G112-G156 PolarHBondContact O-N 3.09Å
113	S	93	Very high	94.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.			trans	-93.2	15	-177	53.9	0	0	0	0	113.3	C111 Y115 I116 F117 Y180	C111-S113 PolarHBondContact O-N 2.81Å; C111-S113 PolarHBondContact O-OG 2.9Å; S113-Y115 PolarHBondContact O-N 3.47Å; S113-Y115 VanDerWaalsContact O-N 3.08Å; S113-I116 WeakPolarHBondContact O-CA 3.3Å; S113-I116 WeakPolarHBondContact O-CB 3.05Å; S113-I116 PolarHBondContact O-N 3.06Å; S113-F117 WeakPolarHBondContact O-CD2 3.33Å; S113-F117 PolarHBondContact O-N 3.43Å; S113-F117 VanDerWaalsContact O-N 3.08Å; S113-F117 WeakPolarHBondContact OG-CE2 3.41Å; S113-Y180 PolarHBondContact OG-OH 2.85Å
114	C	94	Very high	94.7	Very high	4 Å²	4	21.7 Å²	21.7	3%	0.027	10%	0.101	C	C	.	.	H	α-helix	trans	-50.8	-36.7	-179.5	59.4	0	0	0	0	113.1	I116 F117 A118 H271 A272	C114-I116 VanDerWaalsContact C-N 3.27Å; C114-I116 PolarHBondContact O-N 3.4Å; C114-F117 PolarHBondContact O-N 3.13Å; C114-A118 WeakPolarHBondContact O-CB 3.29Å; C114-A118 PolarHBondContact O-N 2.91Å; C114-H271 WeakPolarHBondContact CB-CE1 3.32Å; C114-H271 VanDerWaalsContact CB-ND1 3.31Å; C114-H271 WeakPolarHBondContact CB-ND1 3.44Å; C114-H271 PolarHBondContact SG-ND1 3.3Å; C114-H271 VanDerWaalsContact SG-ND1 3.42Å; C114-A272 HydrophobicContact CB-CB 4.43Å; C114-A272 PolarHBondContact SG-N 3.01Å; C114-A272 VanDerWaalsContact SG-N 3.41Å
115	Y	93.7	Very high	94.8	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	7%	0.074	C	C	.	.	H	α-helix	trans	-62.6	-31.9	176.2	70.9	-80.5	0	0	0	113.3	G112 S113 S119 A151 Q152 G153 G156 G157 I162	G112-Y115 WeakPolarHBondContact O-CE1 3.49Å; S113-Y115 PolarHBondContact O-N 3.47Å; S113-Y115 VanDerWaalsContact O-N 3.08Å; Y115-S119 VanDerWaalsContact O-CB 3.32Å; Y115-S119 WeakPolarHBondContact O-CB 3.37Å; Y115-S119 PolarHBondContact O-N 3.43Å; Y115-S119 PolarHBondContact O-OG 3.15Å; Y115-A151 HydrophobicContact CE2-CB 4.5Å; Y115-Q152 PolarHBondContact OH-N 3.5Å; Y115-Q152 VanDerWaalsContact OH-N 3.08Å; Y115-G153 PolarHBondContact OH-N 3.41Å; Y115-G153 PolarHBondContact OH-O 3.39Å; Y115-G156 VanDerWaalsContact CE1-O 3.27Å; Y115-G156 WeakPolarHBondContact CE1-O 3.42Å; Y115-G157 VanDerWaalsContact CB-C 3.48Å; Y115-G157 VanDerWaalsContact CB-O 3.32Å; Y115-G157 WeakPolarHBondContact CB-O 3.4Å; Y115-G157 VanDerWaalsContact CG-CA 3.48Å; Y115-I162 HydrophobicContact CD2-CD1 4.45Å; Y115-I162 HydrophobicContact CD2-CG1 3.62Å; Y115-I162 HydrophobicContact CE2-CD1 4.02Å; Y115-I162 HydrophobicContact CE2-CG1 3.67Å
116	I	96.3	Very high	94.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-75.1	-47.7	173.1	-54.5	177.5	0	0	0	109.4	S113 C114 A118 S119 V120 P141 V144 L145 I162	S113-I116 WeakPolarHBondContact O-CA 3.3Å; S113-I116 WeakPolarHBondContact O-CB 3.05Å; S113-I116 PolarHBondContact O-N 3.06Å; C114-I116 VanDerWaalsContact C-N 3.27Å; C114-I116 PolarHBondContact O-N 3.4Å; I116-A118 PolarHBondContact O-N 3.02Å; I116-S119 WeakPolarHBondContact O-CB 3.27Å; I116-S119 PolarHBondContact O-N 3.42Å; I116-S119 VanDerWaalsContact O-N 3.15Å; I116-V120 HydrophobicContact CG2-CG2 4.24Å; I116-V120 WeakPolarHBondContact O-CB 3.5Å; I116-V120 WeakPolarHBondContact O-CG2 3.19Å; I116-V120 PolarHBondContact O-N 2.98Å; I116-P141 HydrophobicContact CG2-CB 3.68Å; I116-V144 HydrophobicContact CD1-CB 4.34Å; I116-V144 HydrophobicContact CD1-CG1 3.99Å; I116-V144 HydrophobicContact CG1-CG1 4.13Å; I116-V144 HydrophobicContact CG2-CB 3.87Å; I116-V144 HydrophobicContact CG2-CG1 3.94Å; I116-V144 HydrophobicContact CG2-CG2 4.16Å; I116-L145 HydrophobicContact CD1-CB 4.07Å; I116-L145 HydrophobicContact CD1-CD1 4.07Å; I116-I162 HydrophobicContact CG1-CG1 4.39Å; I116-I162 HydrophobicContact CG2-CG2 4.39Å
117	F	97.4	Very high	94.6	Very high	10 Å²	10	13.8 Å²	13.8	4%	0.044	6%	0.062	C	C	.	.	H	α-helix	trans	-61.8	-41.7	-180	-82.9	-93.5	0	0	0	112.8	R106 Q108 S113 C114 S119 V120 A121 P141 Y180	R106-F117 HydrophobicContact CB-CD1 4.02Å; R106-F117 HydrophobicContact CB-CE1 3.72Å; Q108-F117 HydrophobicContact CB-CD2 3.71Å; Q108-F117 HydrophobicContact CB-CE2 3.62Å; Q108-F117 HydrophobicContact CB-CG 4.34Å; Q108-F117 HydrophobicContact CB-CZ 4.16Å; S113-F117 WeakPolarHBondContact O-CD2 3.33Å; S113-F117 PolarHBondContact O-N 3.43Å; S113-F117 VanDerWaalsContact O-N 3.08Å; S113-F117 WeakPolarHBondContact OG-CE2 3.41Å; C114-F117 PolarHBondContact O-N 3.13Å; F117-S119 VanDerWaalsContact C-N 3.32Å; F117-V120 PolarHBondContact O-N 3.32Å; F117-A121 VanDerWaalsContact O-CB 3.29Å; F117-A121 WeakPolarHBondContact O-CB 3.27Å; F117-A121 PolarHBondContact O-N 3.38Å; F117-P141 HydrophobicContact CD1-CG 4.32Å; F117-P141 HydrophobicContact CD2-CB 4.33Å; F117-P141 HydrophobicContact CE1-CG 3.9Å; F117-P141 HydrophobicContact CE2-CB 3.89Å; F117-P141 HydrophobicContact CE2-CG 4.1Å; F117-P141 HydrophobicContact CZ-CB 4.03Å; F117-P141 HydrophobicContact CZ-CG 3.78Å; F117-Y180 HydrophobicContact CE2-CD1 4.44Å; F117-Y180 HydrophobicContact CE2-CD2 4.3Å; F117-Y180 AromaticContact CE2-CE1 3.88Å; F117-Y180 HydrophobicContact CE2-CE1 3.88Å; F117-Y180 AromaticContact CE2-CE2 3.73Å; F117-Y180 HydrophobicContact CE2-CE2 3.73Å; F117-Y180 AromaticContact CE2-CZ 3.48Å; F117-Y180 VanDerWaalsContact CE2-CZ 3.48Å; F117-Y180 AromaticContact CZ-CD1 3.78Å; F117-Y180 HydrophobicContact CZ-CD1 3.78Å; F117-Y180 HydrophobicContact CZ-CD2 4.12Å; F117-Y180 AromaticContact CZ-CE1 3.58Å; F117-Y180 HydrophobicContact CZ-CE1 3.58Å; F117-Y180 AromaticContact CZ-CE2 3.95Å; F117-Y180 HydrophobicContact CZ-CE2 3.95Å; F117-Y180 HydrophobicContact CZ-CG 4.02Å; F117-Y180 AromaticContact CZ-CZ 3.67Å
118	A	97.1	Very high	94.6	Very high	3 Å²	3	13.5 Å²	13.5	3%	0.025	6%	0.058	C	C	.	.	H	α-helix	trans	-64	-39.7	175.2	0	0	0	0	0	111.5	C114 I116 V122 A230 A272 T274	C114-A118 WeakPolarHBondContact O-CB 3.29Å; C114-A118 PolarHBondContact O-N 2.91Å; I116-A118 PolarHBondContact O-N 3.02Å; A118-V122 WeakPolarHBondContact O-CG2 3.4Å; A118-V122 PolarHBondContact O-N 3.36Å; A118-V122 VanDerWaalsContact O-N 3.09Å; A118-A230 HydrophobicContact CB-CB 4.2Å; A118-A272 HydrophobicContact CB-CB 3.97Å; A118-T274 WeakPolarHBondContact CA-OG1 3.37Å; A118-T274 PolarHBondContact O-OG1 3.02Å
119	S	97.2	Very high	94.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.1	-48.8	175.9	-65	0	0	0	0	112.2	Y115 I116 F117 A121 V122 L123 P159 A163	Y115-S119 VanDerWaalsContact O-CB 3.32Å; Y115-S119 WeakPolarHBondContact O-CB 3.37Å; Y115-S119 PolarHBondContact O-N 3.43Å; Y115-S119 PolarHBondContact O-OG 3.15Å; I116-S119 WeakPolarHBondContact O-CB 3.27Å; I116-S119 PolarHBondContact O-N 3.42Å; I116-S119 VanDerWaalsContact O-N 3.15Å; F117-S119 VanDerWaalsContact C-N 3.32Å; S119-A121 PolarHBondContact O-N 2.84Å; S119-V122 PolarHBondContact O-N 3.37Å; S119-L123 PolarHBondContact O-N 3.45Å; S119-L123 VanDerWaalsContact O-N 3.07Å; S119-P159 WeakPolarHBondContact OG-CA 3.36Å; S119-P159 WeakPolarHBondContact OG-CB 3.38Å; S119-P159 PolarHBondContact OG-O 3.49Å; S119-A163 VanDerWaalsContact CB-CB 3.5Å
120	V	97.4	Very high	94.4	Very high	3 Å²	3	11.5 Å²	11.5	2%	0.018	5%	0.05	C	C	.	.	H	α-helix	trans	-59.8	-46.3	176.5	164.9	0	0	0	0	110.3	I116 F117 V122 L123 E124 F139 P141 M172	I116-V120 HydrophobicContact CG2-CG2 4.24Å; I116-V120 WeakPolarHBondContact O-CB 3.5Å; I116-V120 WeakPolarHBondContact O-CG2 3.19Å; I116-V120 PolarHBondContact O-N 2.98Å; F117-V120 PolarHBondContact O-N 3.32Å; V120-V122 VanDerWaalsContact C-N 3.32Å; V120-V122 PolarHBondContact O-N 2.91Å; V120-L123 PolarHBondContact O-N 3.06Å; V120-E124 HydrophobicContact CG1-CG 3.92Å; V120-E124 VanDerWaalsContact CG1-OE1 3.24Å; V120-E124 WeakPolarHBondContact CG1-OE1 3.02Å; V120-E124 WeakPolarHBondContact O-CB 3.14Å; V120-E124 VanDerWaalsContact O-CG 3.27Å; V120-E124 WeakPolarHBondContact O-CG 3.16Å; V120-E124 PolarHBondContact O-N 3.48Å; V120-F139 HydrophobicContact CG1-CB 4Å; V120-F139 HydrophobicContact CG2-CB 4.26Å; V120-P141 HydrophobicContact CG2-CG 4.45Å; V120-M172 HydrophobicContact CG2-CE 4.4Å; V120-M172 HydrophobicContact CG2-SD 4.15Å
121	A	98	Very high	94.5	Very high	5 Å²	5	5.6 Å²	5.6	4%	0.041	3%	0.028	C	C	.	.	H	α-helix	trans	-61.6	-37.3	178.9	0	0	0	0	0	113	F117 S119 S125 T274 K290	F117-A121 VanDerWaalsContact O-CB 3.29Å; F117-A121 WeakPolarHBondContact O-CB 3.27Å; F117-A121 PolarHBondContact O-N 3.38Å; S119-A121 PolarHBondContact O-N 2.84Å; A121-S125 WeakPolarHBondContact O-CB 3.44Å; A121-S125 PolarHBondContact O-N 2.91Å; A121-S125 VanDerWaalsContact O-N 3.15Å; A121-S125 PolarHBondContact O-OG 3.25Å; A121-T274 HydrophobicContact CB-CG2 4.37Å; A121-K290 HydrophobicContact CB-CD 4.24Å
122	V	98.1	Very high	94.3	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.7	-53.1	172.7	166.8	0	0	0	0	110.5	A118 S119 V120 S125 R126 A230 T274	A118-V122 WeakPolarHBondContact O-CG2 3.4Å; A118-V122 PolarHBondContact O-N 3.36Å; A118-V122 VanDerWaalsContact O-N 3.09Å; S119-V122 PolarHBondContact O-N 3.37Å; V120-V122 VanDerWaalsContact C-N 3.32Å; V120-V122 PolarHBondContact O-N 2.91Å; V122-S125 PolarHBondContact O-N 3.27Å; V122-R126 WeakPolarHBondContact O-CB 3.21Å; V122-R126 VanDerWaalsContact O-CG 3.31Å; V122-R126 WeakPolarHBondContact O-CG 3.48Å; V122-R126 PolarHBondContact O-N 3.01Å; V122-A230 HydrophobicContact CG2-CB 3.91Å; V122-A230 VanDerWaalsContact CG2-N 3.32Å; V122-T274 HydrophobicContact CG2-CG2 3.83Å
123	L	98	Very high	94.4	Very high	5 Å²	5	8.9 Å²	8.9	3%	0.026	4%	0.044	C	C	.	.	H	α-helix	trans	-67.5	-45.1	-174.9	-66.8	177.6	0	0	0	112.3	S119 V120 S125 R126 Y127 F139 A163 A167 M172 A201 P323	S119-L123 PolarHBondContact O-N 3.45Å; S119-L123 VanDerWaalsContact O-N 3.07Å; V120-L123 PolarHBondContact O-N 3.06Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 3.16Å; L123-R126 PolarHBondContact O-N 2.65Å; L123-Y127 WeakPolarHBondContact O-CB 3.42Å; L123-Y127 PolarHBondContact O-N 3.05Å; L123-F139 HydrophobicContact CB-CD2 4.17Å; L123-F139 HydrophobicContact CB-CE2 3.76Å; L123-A163 HydrophobicContact CD1-CB 3.93Å; L123-A163 HydrophobicContact CD2-CB 4.39Å; L123-A163 HydrophobicContact CG-CB 3.97Å; L123-A167 HydrophobicContact CD1-CB 3.82Å; L123-M172 HydrophobicContact CD1-CE 3.42Å; L123-M172 VanDerWaalsContact CD1-CE 3.42Å; L123-M172 HydrophobicContact CD1-SD 3.56Å; L123-M172 VanDerWaalsContact CD1-SD 3.56Å; L123-A201 HydrophobicContact CD1-CB 4.38Å; L123-A201 HydrophobicContact CD2-CB 3.68Å; L123-P323 HydrophobicContact CB-CG 4.38Å; L123-P323 HydrophobicContact CD2-CG 3.92Å; L123-P323 WeakPolarHBondContact O-CG 3.34Å
124	E	97.7	Very high	94.1	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.019	7%	0.072	C	C	.	.	H	α-helix	trans	-59.9	-44.7	176.9	-69.3	173.9	159.3	0	0	111.5	S103 V120 Y127 R128 T138 F139	S103-E124 WeakPolarHBondContact CB-OE2 3.37Å; S103-E124 PolarHBondContact OG-OE2 3.36Å; V120-E124 HydrophobicContact CG1-CG 3.92Å; V120-E124 VanDerWaalsContact CG1-OE1 3.24Å; V120-E124 WeakPolarHBondContact CG1-OE1 3.02Å; V120-E124 WeakPolarHBondContact O-CB 3.14Å; V120-E124 VanDerWaalsContact O-CG 3.27Å; V120-E124 WeakPolarHBondContact O-CG 3.16Å; V120-E124 PolarHBondContact O-N 3.48Å; E124-Y127 PolarHBondContact O-N 3.13Å; E124-R128 VanDerWaalsContact O-CG 3.28Å; E124-R128 WeakPolarHBondContact O-CG 3.22Å; E124-R128 PolarHBondContact O-N 3.47Å; E124-R128 VanDerWaalsContact O-N 3.1Å; E124-T138 VanDerWaalsContact OE1-CA 3.24Å; E124-T138 WeakPolarHBondContact OE1-CA 3.46Å; E124-F139 HydrophobicContact CG-CD2 3.52Å; E124-F139 HydrophobicContact CG-CE2 3.87Å; E124-F139 HydrophobicContact CG-CG 4.17Å; E124-F139 PolarHBondContact OE1-N 2.82Å
125	S	97.7	Very high	93.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.4	-41.7	-178.7	-53.1	0	0	0	0	111.1	Y101 V102 S103 A121 V122 L123 Y127 R128 I129	Y101-S125 WeakPolarHBondContact O-CA 3.49Å; V102-S125 WeakPolarHBondContact CA-OG 3.48Å; S103-S125 PolarHBondContact N-OG 3.01Å; A121-S125 WeakPolarHBondContact O-CB 3.44Å; A121-S125 PolarHBondContact O-N 2.91Å; A121-S125 VanDerWaalsContact O-N 3.15Å; A121-S125 PolarHBondContact O-OG 3.25Å; V122-S125 PolarHBondContact O-N 3.27Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 3.16Å; S125-Y127 VanDerWaalsContact C-N 3.33Å; S125-Y127 PolarHBondContact O-N 3.25Å; S125-R128 WeakPolarHBondContact O-CB 3.31Å; S125-R128 PolarHBondContact O-N 2.96Å; S125-I129 VanDerWaalsContact O-CG1 3.3Å; S125-I129 WeakPolarHBondContact O-CG1 3.09Å; S125-I129 PolarHBondContact O-N 2.87Å
126	R	95.2	Very high	93.7	Very high	3 Å²	3	22.5 Å²	22.5	1%	0.011	11%	0.106	C	C	.	.	H	α-helix	trans	-66.3	-35.8	175.5	-72.9	-178.3	173.3	-141.2	-12.1	111.8	V122 L123 R128 I129 L130 N226 G227 P228 E320 S321 P323	V122-R126 WeakPolarHBondContact O-CB 3.21Å; V122-R126 VanDerWaalsContact O-CG 3.31Å; V122-R126 WeakPolarHBondContact O-CG 3.48Å; V122-R126 PolarHBondContact O-N 3.01Å; L123-R126 PolarHBondContact O-N 2.65Å; R126-R128 VanDerWaalsContact C-N 3.31Å; R126-R128 PolarHBondContact O-N 3.06Å; R126-I129 PolarHBondContact O-N 3.03Å; R126-I129 VanDerWaalsContact O-N 3.17Å; R126-L130 WeakPolarHBondContact O-CB 3.37Å; R126-L130 WeakPolarHBondContact O-CD1 3.44Å; R126-L130 WeakPolarHBondContact O-CG 3.37Å; R126-L130 PolarHBondContact O-N 3.23Å; R126-N226 PolarHBondContact NE-O 2.6Å; R126-G227 PolarHBondContact NH2-O 3.31Å; R126-P228 PolarHBondContact NE-O 2.86Å; R126-P228 PolarHBondContact NH2-O 3.01Å; R126-E320 IonicContact CZ-OE2 3.58Å; R126-E320 IonicContact NH1-OE2 3.6Å; R126-E320 PolarHBondContact NH1-OE2 3.36Å; R126-E320 IonicContact NH2-OE2 2.88Å; R126-E320 PolarHBondContact NH2-OE2 3.28Å; R126-S321 WeakPolarHBondContact CD-O 3.37Å; R126-S321 PolarHBondContact NH1-O 3.19Å; R126-P323 HydrophobicContact CB-CG 3.92Å
127	Y	93.8	Very high	93.5	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.012	11%	0.11	C	C	.	.	H	α-helix	trans	-59.1	-45.3	173.5	-151.2	-77.7	0	0	0	110.6	L123 E124 S125 I129 L130 T131 E135 P137 F139 Y199 P323 I325	L123-Y127 WeakPolarHBondContact O-CB 3.42Å; L123-Y127 PolarHBondContact O-N 3.05Å; E124-Y127 PolarHBondContact O-N 3.13Å; S125-Y127 VanDerWaalsContact C-N 3.33Å; S125-Y127 PolarHBondContact O-N 3.25Å; Y127-I129 PolarHBondContact O-N 3.4Å; Y127-L130 PolarHBondContact O-N 2.89Å; Y127-T131 HydrophobicContact CD1-CG2 3.69Å; Y127-T131 HydrophobicContact CE1-CG2 3.54Å; Y127-T131 WeakPolarHBondContact O-CB 3.41Å; Y127-T131 WeakPolarHBondContact O-CG2 3.21Å; Y127-T131 PolarHBondContact O-N 2.8Å; Y127-T131 PolarHBondContact O-OG1 2.76Å; Y127-E135 HydrophobicContact CD1-CB 4.12Å; Y127-E135 HydrophobicContact CE1-CB 3.75Å; Y127-E135 WeakPolarHBondContact CE1-OE2 3.5Å; Y127-E135 PolarHBondContact OH-OE2 3.42Å; Y127-P137 HydrophobicContact CD1-CG 3.75Å; Y127-P137 HydrophobicContact CD2-CG 4.2Å; Y127-P137 HydrophobicContact CE1-CG 4.13Å; Y127-P137 HydrophobicContact CG-CG 3.8Å; Y127-F139 HydrophobicContact CD2-CZ 4.34Å; Y127-Y199 HydrophobicContact CD2-CD1 4.49Å; Y127-Y199 AromaticContact CE2-CD1 3.68Å; Y127-Y199 HydrophobicContact CE2-CD1 3.68Å; Y127-Y199 HydrophobicContact CE2-CE1 4.33Å; Y127-Y199 AromaticContact CZ-CD1 3.86Å; Y127-P323 HydrophobicContact CD2-CB 3.59Å; Y127-P323 HydrophobicContact CD2-CG 4.3Å; Y127-P323 HydrophobicContact CE2-CB 4.24Å; Y127-P323 HydrophobicContact CG-CB 4.45Å; Y127-I325 HydrophobicContact CD1-CD1 4.3Å; Y127-I325 HydrophobicContact CD2-CD1 4Å; Y127-I325 HydrophobicContact CE1-CD1 4Å; Y127-I325 HydrophobicContact CE2-CD1 3.65Å; Y127-I325 HydrophobicContact CG-CD1 4.29Å
128	R	93.9	Very high	93.5	Very high	27 Å²	27	25.4 Å²	25.4	10%	0.102	12%	0.124	C	C	.	.	H	α-helix	trans	-62.9	-39.1	175.4	-68.1	169	-170.3	-116.5	0.5	112.5	Y101 E124 S125 R126 Q132 N133 K136	Y101-R128 HydrophobicContact CD1-CB 4.22Å; Y101-R128 WeakPolarHBondContact CD1-O 3.37Å; Y101-R128 WeakPolarHBondContact CE1-O 3.36Å; Y101-R128 WeakPolarHBondContact O-CD 3.42Å; E124-R128 VanDerWaalsContact O-CG 3.28Å; E124-R128 WeakPolarHBondContact O-CG 3.22Å; E124-R128 PolarHBondContact O-N 3.47Å; E124-R128 VanDerWaalsContact O-N 3.1Å; S125-R128 WeakPolarHBondContact O-CB 3.31Å; S125-R128 PolarHBondContact O-N 2.96Å; R126-R128 VanDerWaalsContact C-N 3.31Å; R126-R128 PolarHBondContact O-N 3.06Å; R128-Q132 CarbonylContact O-C 3.59Å; R128-Q132 VanDerWaalsContact O-CA 3.28Å; R128-Q132 WeakPolarHBondContact O-CA 3.35Å; R128-Q132 PolarHBondContact O-N 3.48Å; R128-N133 WeakPolarHBondContact CB-OD1 3.32Å; R128-N133 PolarHBondContact O-N 3.1Å; R128-K136 HydrophobicContact CG-CG 4.04Å
129	I	91.4	Very high	93.4	Very high	34 Å²	34	25.4 Å²	25.4	17%	0.174	12%	0.124	C	C	.	.	H	α-helix	trans	-64.1	-48.2	176.2	-67.5	165.6	0	0	0	110.2	W93 Y101 S125 R126 Y127 Q132	W93-I129 HydrophobicContact CD2-CD1 3.63Å; W93-I129 HydrophobicContact CD2-CG1 4.29Å; W93-I129 HydrophobicContact CE3-CD1 3.63Å; W93-I129 HydrophobicContact CE3-CG1 3.77Å; W93-I129 HydrophobicContact CG-CD1 4.31Å; W93-I129 HydrophobicContact CH2-CD1 3.85Å; W93-I129 HydrophobicContact CH2-CG1 4.1Å; W93-I129 HydrophobicContact CH2-CG2 3.89Å; W93-I129 HydrophobicContact CZ2-CD1 3.84Å; W93-I129 HydrophobicContact CZ3-CD1 3.75Å; W93-I129 HydrophobicContact CZ3-CG1 3.67Å; W93-I129 HydrophobicContact CZ3-CG2 4.06Å; Y101-I129 HydrophobicContact CD1-CG1 4.12Å; Y101-I129 HydrophobicContact CG-CG1 3.98Å; S125-I129 VanDerWaalsContact O-CG1 3.3Å; S125-I129 WeakPolarHBondContact O-CG1 3.09Å; S125-I129 PolarHBondContact O-N 2.87Å; R126-I129 PolarHBondContact O-N 3.03Å; R126-I129 VanDerWaalsContact O-N 3.17Å; Y127-I129 PolarHBondContact O-N 3.4Å; I129-Q132 PolarHBondContact O-N 3.21Å
130	L	89.5	Confident	93.4	Very high	14 Å²	14	25.4 Å²	25.4	7%	0.073	12%	0.124	C	C	.	.	H	α-helix	trans	-69.9	-33.2	-175.2	-70.4	163.2	0	0	0	113.4	R126 Y127 T322 P323 I325 T363 Q394 L396	R126-L130 WeakPolarHBondContact O-CB 3.37Å; R126-L130 WeakPolarHBondContact O-CD1 3.44Å; R126-L130 WeakPolarHBondContact O-CG 3.37Å; R126-L130 PolarHBondContact O-N 3.23Å; Y127-L130 PolarHBondContact O-N 2.89Å; L130-T322 HydrophobicContact CD1-CG2 4.11Å; L130-P323 HydrophobicContact CD1-CB 4.36Å; L130-P323 HydrophobicContact CD1-CG 4.29Å; L130-I325 HydrophobicContact CB-CD1 4.15Å; L130-I325 HydrophobicContact CB-CG1 4.13Å; L130-I325 HydrophobicContact CD1-CD1 4.46Å; L130-T363 WeakPolarHBondContact O-CB 3.4Å; L130-T363 PolarHBondContact O-OG1 2.68Å; L130-Q394 HydrophobicContact CD2-CG 4.3Å; L130-L396 HydrophobicContact CD2-CD2 4.16Å
131	T	87.9	Confident	93.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	3.5	177.7	62.5	0	0	0	0	113.3	Y127 N133 E134 E135 I325 M328	Y127-T131 HydrophobicContact CD1-CG2 3.69Å; Y127-T131 HydrophobicContact CE1-CG2 3.54Å; Y127-T131 WeakPolarHBondContact O-CB 3.41Å; Y127-T131 WeakPolarHBondContact O-CG2 3.21Å; Y127-T131 PolarHBondContact O-N 2.8Å; Y127-T131 PolarHBondContact O-OG1 2.76Å; T131-N133 VanDerWaalsContact C-N 3.31Å; T131-N133 PolarHBondContact O-N 3.46Å; T131-E134 VanDerWaalsContact O-CB 3.25Å; T131-E134 WeakPolarHBondContact O-CB 3.38Å; T131-E134 WeakPolarHBondContact O-CG 3.5Å; T131-E134 PolarHBondContact O-N 2.83Å; T131-E135 HydrophobicContact CG2-CB 4.16Å; T131-E135 PolarHBondContact OG1-O 2.94Å; T131-I325 HydrophobicContact CG2-CD1 3.8Å; T131-I325 HydrophobicContact CG2-CG1 4.49Å; T131-I325 HydrophobicContact CG2-CG2 4.39Å; T131-M328 HydrophobicContact CG2-CE 4.05Å; T131-M328 HydrophobicContact CG2-SD 4.46Å
132	Q	85.1	Confident	93.2	Very high	47 Å²	47	25.1 Å²	25.1	22%	0.22	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	37.9	-178.8	-52.5	-129.4	-67.3	0	0	114.8	R128 I129 E134 I470 Q471	R128-Q132 CarbonylContact O-C 3.59Å; R128-Q132 VanDerWaalsContact O-CA 3.28Å; R128-Q132 WeakPolarHBondContact O-CA 3.35Å; R128-Q132 PolarHBondContact O-N 3.48Å; I129-Q132 PolarHBondContact O-N 3.21Å; Q132-E134 PolarHBondContact O-N 2.91Å; Q132-E134 VanDerWaalsContact O-N 3.09Å; Q132-I470 HydrophobicContact CG-CG2 4.43Å; Q132-Q471 HydrophobicContact CG-CB 4.37Å
133	N	90.3	Very high	93	Very high	23 Å²	23	25.3 Å²	25.3	12%	0.123	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	7.8	-175.3	-86.7	-46.6	0	0	0	114.6	V99 N100 Y101 R128 T131 E135 K136	V99-N133 WeakPolarHBondContact CG1-ND2 3.25Å; N100-N133 PolarHBondContact O-ND2 3.1Å; Y101-N133 WeakPolarHBondContact CD1-ND2 3.38Å; Y101-N133 HydrophobicContact CE1-CB 4.48Å; R128-N133 WeakPolarHBondContact CB-OD1 3.32Å; R128-N133 PolarHBondContact O-N 3.1Å; T131-N133 VanDerWaalsContact C-N 3.31Å; T131-N133 PolarHBondContact O-N 3.46Å; N133-E135 PolarHBondContact O-N 3.35Å; N133-K136 VanDerWaalsContact CB-CE 3.45Å; N133-K136 VanDerWaalsContact CG-CE 3.46Å; N133-K136 WeakPolarHBondContact O-CE 3.16Å; N133-K136 PolarHBondContact O-NZ 3Å; N133-K136 WeakPolarHBondContact OD1-CE 3.41Å
134	E	86.2	Confident	92.8	Very high	127 Å²	127	25.1 Å²	25.1	59%	0.593	12%	0.121	S	C	*	.	S	Bend	trans	-62.1	-36.3	168.8	-65.1	-176.8	-177.4	0	0	109.6	T131 Q132 M328	T131-E134 VanDerWaalsContact O-CB 3.25Å; T131-E134 WeakPolarHBondContact O-CB 3.38Å; T131-E134 WeakPolarHBondContact O-CG 3.5Å; T131-E134 PolarHBondContact O-N 2.83Å; Q132-E134 PolarHBondContact O-N 2.91Å; Q132-E134 VanDerWaalsContact O-N 3.09Å; E134-M328 HydrophobicContact CB-CE 3.63Å; E134-M328 HydrophobicContact CG-CE 4.24Å; E134-M328 WeakPolarHBondContact OE2-CE 3.36Å
135	E	87.9	Confident	92.6	Very high	52 Å²	52	25 Å²	25	24%	0.243	12%	0.121	C	C	.	.			trans	-120	136.8	174.2	-64.6	-179	-138.2	0	0	111.4	Y127 T131 N133 M328	Y127-E135 HydrophobicContact CD1-CB 4.12Å; Y127-E135 HydrophobicContact CE1-CB 3.75Å; Y127-E135 WeakPolarHBondContact CE1-OE2 3.5Å; Y127-E135 PolarHBondContact OH-OE2 3.42Å; T131-E135 HydrophobicContact CG2-CB 4.16Å; T131-E135 PolarHBondContact OG1-O 2.94Å; N133-E135 PolarHBondContact O-N 3.35Å; E135-M328 HydrophobicContact CG-CE 4.45Å
136	K	92.6	Very high	92.4	Very high	113 Å²	113	25.6 Å²	25.6	49%	0.491	12%	0.124	S	C	.	.			trans	-137.6	56.3	-173.9	-68.8	170.9	-179.8	151.9	0	110.8	R128 N133 T138	R128-K136 HydrophobicContact CG-CG 4.04Å; N133-K136 VanDerWaalsContact CB-CE 3.45Å; N133-K136 VanDerWaalsContact CG-CE 3.46Å; N133-K136 WeakPolarHBondContact O-CE 3.16Å; N133-K136 PolarHBondContact O-NZ 3Å; N133-K136 WeakPolarHBondContact OD1-CE 3.41Å; K136-T138 PolarHBondContact O-N 3.31Å
137	P	92	Very high	92.2	Very high	13 Å²	13	27 Å²	27	8%	0.084	13%	0.134	C	C	.	.			trans	-59	146	177.8	29.4	-35.8	0	0	0	109.7	Y127 F139 Y199	Y127-P137 HydrophobicContact CD1-CG 3.75Å; Y127-P137 HydrophobicContact CD2-CG 4.2Å; Y127-P137 HydrophobicContact CE1-CG 4.13Å; Y127-P137 HydrophobicContact CG-CG 3.8Å; P137-F139 HydrophobicContact CB-CD1 4.21Å; P137-F139 HydrophobicContact CB-CE1 3.52Å; P137-F139 HydrophobicContact CB-CZ 4Å; P137-F139 HydrophobicContact CG-CE1 3.72Å; P137-F139 HydrophobicContact CG-CZ 3.65Å; P137-Y199 HydrophobicContact CB-CE1 4.12Å; P137-Y199 HydrophobicContact CB-CE2 4.31Å; P137-Y199 HydrophobicContact CG-CD1 4.43Å; P137-Y199 HydrophobicContact CG-CE1 4.27Å
138	T	95.7	Very high	92.2	Very high	57 Å²	57	27.3 Å²	27.3	35%	0.35	14%	0.137	S	C	.	.			trans	-116.6	112.9	172.4	-55.8	0	0	0	0	105.9	E124 K136 T174 E175	E124-T138 VanDerWaalsContact OE1-CA 3.24Å; E124-T138 WeakPolarHBondContact OE1-CA 3.46Å; K136-T138 PolarHBondContact O-N 3.31Å; T138-T174 CarbonylContact O-C 3.55Å; T138-T174 WeakPolarHBondContact O-CA 3.47Å; T138-E175 HydrophobicContact CG2-CB 4.01Å; T138-E175 PolarHBondContact O-N 3.19Å
139	F	96.3	Very high	92.1	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.018	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-85.3	152.6	-172.8	-55.6	-46.1	0	0	0	111.2	R106 V120 L123 E124 Y127 P137 P141 M172 V173 Y199	R106-F139 PolarHBondContact NH1-O 2.61Å; V120-F139 HydrophobicContact CG1-CB 4Å; V120-F139 HydrophobicContact CG2-CB 4.26Å; L123-F139 HydrophobicContact CB-CD2 4.17Å; L123-F139 HydrophobicContact CB-CE2 3.76Å; E124-F139 HydrophobicContact CG-CD2 3.52Å; E124-F139 HydrophobicContact CG-CE2 3.87Å; E124-F139 HydrophobicContact CG-CG 4.17Å; E124-F139 PolarHBondContact OE1-N 2.82Å; Y127-F139 HydrophobicContact CD2-CZ 4.34Å; P137-F139 HydrophobicContact CB-CD1 4.21Å; P137-F139 HydrophobicContact CB-CE1 3.52Å; P137-F139 HydrophobicContact CB-CZ 4Å; P137-F139 HydrophobicContact CG-CE1 3.72Å; P137-F139 HydrophobicContact CG-CZ 3.65Å; F139-P141 VanDerWaalsContact O-CD 3.26Å; F139-P141 WeakPolarHBondContact O-CD 3.42Å; F139-M172 HydrophobicContact CB-CB 4.12Å; F139-M172 HydrophobicContact CB-SD 4.03Å; F139-M172 HydrophobicContact CD1-CB 4.05Å; F139-M172 HydrophobicContact CD2-SD 3.79Å; F139-M172 HydrophobicContact CG-CB 3.98Å; F139-M172 HydrophobicContact CG-SD 4.01Å; F139-V173 CarbonylContact C-O 3.49Å; F139-V173 WeakPolarHBondContact CA-O 3.46Å; F139-Y199 HydrophobicContact CD1-CD2 4.14Å; F139-Y199 HydrophobicContact CD1-CG 4.4Å; F139-Y199 HydrophobicContact CE1-CD1 4.09Å; F139-Y199 AromaticContact CE1-CD2 3.55Å; F139-Y199 HydrophobicContact CE1-CD2 3.55Å; F139-Y199 HydrophobicContact CE1-CE2 4.27Å; F139-Y199 AromaticContact CE1-CG 3.43Å; F139-Y199 HydrophobicContact CE1-CG 3.43Å; F139-Y199 VanDerWaalsContact CE1-CG 3.43Å; F139-Y199 HydrophobicContact CZ-CD1 4.44Å; F139-Y199 HydrophobicContact CZ-CG 4.04Å
140	S	95.8	Very high	92.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.			trans	-86.3	112.9	178.7	173.6	0	0	0	0	111.3	Q142 D143 V173 T174 E178	S140-Q142 PolarHBondContact O-N 3.13Å; S140-Q142 WeakPolarHBondContact OG-CB 3.34Å; S140-Q142 PolarHBondContact OG-N 2.8Å; S140-Q142 VanDerWaalsContact OG-N 3.1Å; S140-D143 PolarHBondContact OG-N 2.92Å; S140-V173 PolarHBondContact N-O 3.15Å; S140-T174 WeakPolarHBondContact CB-O 3.4Å; S140-E178 WeakPolarHBondContact CB-O 3.45Å; S140-E178 PolarHBondContact OG-O 3.11Å
141	P	96.2	Very high	92.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.2	-20.8	166.8	-18.4	34	0	0	0	112.2	I116 F117 V120 F139 L145 E175 Y180	I116-P141 HydrophobicContact CG2-CB 3.68Å; F117-P141 HydrophobicContact CD1-CG 4.32Å; F117-P141 HydrophobicContact CD2-CB 4.33Å; F117-P141 HydrophobicContact CE1-CG 3.9Å; F117-P141 HydrophobicContact CE2-CB 3.89Å; F117-P141 HydrophobicContact CE2-CG 4.1Å; F117-P141 HydrophobicContact CZ-CB 4.03Å; F117-P141 HydrophobicContact CZ-CG 3.78Å; V120-P141 HydrophobicContact CG2-CG 4.45Å; F139-P141 VanDerWaalsContact O-CD 3.26Å; F139-P141 WeakPolarHBondContact O-CD 3.42Å; P141-L145 WeakPolarHBondContact O-CB 3.37Å; P141-L145 PolarHBondContact O-N 3.03Å; P141-E175 VanDerWaalsContact CD-OE2 3.24Å; P141-E175 WeakPolarHBondContact CD-OE2 3.18Å; P141-Y180 HydrophobicContact CB-CD2 3.91Å; P141-Y180 HydrophobicContact CB-CE2 4.21Å; P141-Y180 HydrophobicContact CG-CD2 4.46Å
142	Q	95.4	Very high	92	Very high	2 Å²	2	37 Å²	37	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-75	-43.1	-175.3	-167.3	58.5	63.9	0	0	112.5	S140 V144 L145 N146 E178 P179 Y180 T181 H183	S140-Q142 PolarHBondContact O-N 3.13Å; S140-Q142 WeakPolarHBondContact OG-CB 3.34Å; S140-Q142 PolarHBondContact OG-N 2.8Å; S140-Q142 VanDerWaalsContact OG-N 3.1Å; Q142-V144 VanDerWaalsContact C-N 3.3Å; Q142-V144 PolarHBondContact O-N 3.4Å; Q142-L145 WeakPolarHBondContact O-CB 3.34Å; Q142-L145 PolarHBondContact O-N 3.15Å; Q142-N146 PolarHBondContact NE2-ND2 3.38Å; Q142-N146 VanDerWaalsContact NE2-ND2 3.16Å; Q142-N146 PolarHBondContact NE2-OD1 3.26Å; Q142-N146 WeakPolarHBondContact O-CB 3.26Å; Q142-N146 VanDerWaalsContact O-CG 3.24Å; Q142-N146 PolarHBondContact O-N 3.17Å; Q142-N146 PolarHBondContact O-ND2 2.88Å; Q142-E178 HydrophobicContact CB-CB 4.47Å; Q142-E178 HydrophobicContact CB-CG 3.99Å; Q142-E178 WeakPolarHBondContact CB-O 3.45Å; Q142-E178 HydrophobicContact CG-CG 3.75Å; Q142-P179 WeakPolarHBondContact CG-O 3.43Å; Q142-Y180 HydrophobicContact CB-CD2 4.26Å; Q142-T181 PolarHBondContact OE1-OG1 2.93Å; Q142-H183 PolarHBondContact NE2-O 2.92Å
143	D	93.6	Very high	92.1	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-43.1	174	175.8	78.8	0	0	0	110.1	S140 L145 N146 C147 V173 E178	S140-D143 PolarHBondContact OG-N 2.92Å; D143-L145 PolarHBondContact O-N 2.98Å; D143-N146 PolarHBondContact O-N 2.9Å; D143-C147 WeakPolarHBondContact O-CA 3.28Å; D143-C147 VanDerWaalsContact O-CB 3.25Å; D143-C147 WeakPolarHBondContact O-CB 3.34Å; D143-C147 PolarHBondContact O-N 2.74Å; D143-V173 HydrophobicContact CB-CG2 3.39Å; D143-V173 VanDerWaalsContact CG-CG2 3.43Å; D143-E178 VanDerWaalsContact CA-OE2 3.32Å; D143-E178 WeakPolarHBondContact CA-OE2 3.45Å; D143-E178 HydrophobicContact CB-CB 4.28Å; D143-E178 WeakPolarHBondContact CB-OE2 3.37Å
144	V	94.4	Very high	92	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.8	-48.2	173.3	-177.1	0	0	0	0	111.1	I116 Q142 N146 S148 I162	I116-V144 HydrophobicContact CD1-CB 4.34Å; I116-V144 HydrophobicContact CD1-CG1 3.99Å; I116-V144 HydrophobicContact CG1-CG1 4.13Å; I116-V144 HydrophobicContact CG2-CB 3.87Å; I116-V144 HydrophobicContact CG2-CG1 3.94Å; I116-V144 HydrophobicContact CG2-CG2 4.16Å; Q142-V144 VanDerWaalsContact C-N 3.3Å; Q142-V144 PolarHBondContact O-N 3.4Å; V144-N146 VanDerWaalsContact C-N 3.27Å; V144-N146 PolarHBondContact O-N 3.05Å; V144-S148 WeakPolarHBondContact O-CB 3.29Å; V144-S148 PolarHBondContact O-N 3.07Å; V144-I162 HydrophobicContact CG1-CD1 3.77Å; V144-I162 HydrophobicContact CG1-CG1 4.36Å; V144-I162 HydrophobicContact CG1-CG2 3.71Å
145	L	93.5	Very high	91.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-36.8	-178.4	-174.7	64.9	0	0	0	112.2	I116 P141 Q142 D143 G153 Q184	I116-L145 HydrophobicContact CD1-CB 4.07Å; I116-L145 HydrophobicContact CD1-CD1 4.07Å; P141-L145 WeakPolarHBondContact O-CB 3.37Å; P141-L145 PolarHBondContact O-N 3.03Å; Q142-L145 WeakPolarHBondContact O-CB 3.34Å; Q142-L145 PolarHBondContact O-N 3.15Å; D143-L145 PolarHBondContact O-N 2.98Å; L145-G153 VanDerWaalsContact CD1-C 3.47Å; L145-Q184 HydrophobicContact CD1-CB 4.34Å; L145-Q184 HydrophobicContact CD2-CB 4.11Å; L145-Q184 HydrophobicContact CG-CB 3.92Å; L145-Q184 HydrophobicContact CG-CG 4.13Å; L145-Q184 WeakPolarHBondContact O-CG 3.25Å; L145-Q184 PolarHBondContact O-NE2 3.04Å; L145-Q184 VanDerWaalsContact O-NE2 3.17Å
146	N	93.2	Very high	91.3	Very high	13 Å²	13	31.7 Å²	31.7	7%	0.07	17%	0.173	C	C	.	.	H	α-helix	trans	-86.7	-39	-175.9	-67.8	-11	0	0	0	112.6	Q142 D143 V144 E178 F185 C187	Q142-N146 PolarHBondContact NE2-ND2 3.38Å; Q142-N146 VanDerWaalsContact NE2-ND2 3.16Å; Q142-N146 PolarHBondContact NE2-OD1 3.26Å; Q142-N146 WeakPolarHBondContact O-CB 3.26Å; Q142-N146 VanDerWaalsContact O-CG 3.24Å; Q142-N146 PolarHBondContact O-N 3.17Å; Q142-N146 PolarHBondContact O-ND2 2.88Å; D143-N146 PolarHBondContact O-N 2.9Å; V144-N146 VanDerWaalsContact C-N 3.27Å; V144-N146 PolarHBondContact O-N 3.05Å; N146-E178 PolarHBondContact ND2-OE1 2.96Å; N146-F185 WeakPolarHBondContact CB-O 3.41Å; N146-F185 PolarHBondContact OD1-N 2.88Å; N146-F185 PolarHBondContact OD1-O 3.12Å; N146-C187 VanDerWaalsContact O-CB 3.32Å; N146-C187 WeakPolarHBondContact O-CB 3.19Å; N146-C187 PolarHBondContact O-N 3.38Å
147	C	91.7	Very high	91	Very high	32 Å²	32	27.4 Å²	27.4	22%	0.216	16%	0.161	C	C	.	.	H	α-helix	trans	-116.6	-12.2	-164.2	-67.5	0	0	0	0	115.4	D143 P149 C187	D143-C147 WeakPolarHBondContact O-CA 3.28Å; D143-C147 VanDerWaalsContact O-CB 3.25Å; D143-C147 WeakPolarHBondContact O-CB 3.34Å; D143-C147 PolarHBondContact O-N 2.74Å; C147-P149 WeakPolarHBondContact O-CD 3.23Å; C147-C187 VanDerWaalsContact CA-SG 3.55Å; C147-C187 HydrophobicContact CB-CB 3.91Å; C147-C187 WeakPolarHBondContact CB-SG 3.45Å; C147-C187 WeakPolarHBondContact SG-CA 3.33Å; C147-C187 WeakPolarHBondContact SG-CB 3.4Å; C147-C187 CovalentContact SG-SG 2.04Å; C147-C187 PolarHBondContact SG-SG 3.49Å
148	S	93.6	Very high	90.9	Very high	11 Å²	11	31 Å²	31	8%	0.077	18%	0.175	C	C	.	.			trans	-76.4	120.9	177.2	-177.1	0	0	0	0	111.3	V144 Y150 A151 H166	V144-S148 WeakPolarHBondContact O-CB 3.29Å; V144-S148 PolarHBondContact O-N 3.07Å; S148-Y150 PolarHBondContact O-N 3.21Å; S148-Y150 PolarHBondContact OG-N 2.78Å; S148-A151 PolarHBondContact O-N 3.33Å; S148-A151 PolarHBondContact OG-N 3.11Å; S148-H166 VanDerWaalsContact CB-ND1 3.28Å; S148-H166 WeakPolarHBondContact CB-ND1 3.29Å; S148-H166 PolarHBondContact OG-ND1 2.72Å; S148-H166 VanDerWaalsContact OG-ND1 3.17Å
149	P	91.5	Very high	90.7	Very high	86 Å²	86	29.2 Å²	29.2	56%	0.558	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.5	171	31.2	-35.5	0	0	0	112.5	C147 F170	C147-P149 WeakPolarHBondContact O-CD 3.23Å; P149-F170 HydrophobicContact CG-CD2 4.34Å; P149-F170 HydrophobicContact CG-CE2 3.4Å; P149-F170 VanDerWaalsContact CG-CE2 3.4Å; P149-F170 HydrophobicContact CG-CZ 3.65Å
150	Y	92.8	Very high	90.6	Very high	72 Å²	72	31.5 Å²	31.5	28%	0.282	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-9.3	178.3	-50.5	-60.3	0	0	0	113.4	S148 K165 H166 D169 F170	S148-Y150 PolarHBondContact O-N 3.21Å; S148-Y150 PolarHBondContact OG-N 2.78Å; Y150-K165 HydrophobicContact CD1-CG 4.32Å; Y150-K165 HydrophobicContact CD2-CB 3.93Å; Y150-K165 HydrophobicContact CD2-CG 3.79Å; Y150-K165 HydrophobicContact CE1-CG 3.93Å; Y150-K165 HydrophobicContact CE2-CB 3.96Å; Y150-K165 HydrophobicContact CE2-CG 3.31Å; Y150-K165 HydrophobicContact CG-CB 4.35Å; Y150-K165 HydrophobicContact CG-CG 4.27Å; Y150-K165 VanDerWaalsContact CZ-CG 3.42Å; Y150-H166 HydrophobicContact CD2-CB 4.14Å; Y150-D169 WeakPolarHBondContact CE2-OD2 3.29Å; Y150-D169 PolarHBondContact OH-OD2 3.28Å; Y150-F170 HydrophobicContact CD2-CD2 4.48Å; Y150-F170 HydrophobicContact CD2-CE2 4.24Å; Y150-F170 HydrophobicContact CE2-CD2 4.06Å; Y150-F170 AromaticContact CE2-CE2 3.57Å; Y150-F170 HydrophobicContact CE2-CE2 3.57Å
151	A	89	Confident	90.5	Very high	19 Å²	19	33.9 Å²	33.9	16%	0.157	19%	0.187	C	C	.	.			trans	-77	150.1	173.3	0	0	0	0	0	110.8	Y115 S148 I162	Y115-A151 HydrophobicContact CE2-CB 4.5Å; S148-A151 PolarHBondContact O-N 3.33Å; S148-A151 PolarHBondContact OG-N 3.11Å; A151-I162 HydrophobicContact CB-CD1 4.09Å
152	Q	85.4	Confident	90.5	Very high	101 Å²	101	33.9 Å²	33.9	47%	0.472	19%	0.187	S	C	.	.			trans	-113.4	23.8	-178.7	-75.2	167.6	102.1	0	0	111.2	Y115 G156 G157 F158	Y115-Q152 PolarHBondContact OH-N 3.5Å; Y115-Q152 VanDerWaalsContact OH-N 3.08Å; Q152-G156 WeakPolarHBondContact CB-O 3.42Å; Q152-G157 VanDerWaalsContact NE2-CA 3.33Å; Q152-F158 VanDerWaalsContact NE2-CD2 3.35Å
153	G	87.4	Confident	90.5	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.021	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	-149.7	177.1	0	0	0	0	0	113.5	Y115 L145 D155	Y115-G153 PolarHBondContact OH-N 3.41Å; Y115-G153 PolarHBondContact OH-O 3.39Å; L145-G153 VanDerWaalsContact CD1-C 3.47Å; G153-D155 VanDerWaalsContact C-N 3.31Å
154	C	87.8	Confident	90.5	Very high	21 Å²	21	33.6 Å²	33.6	14%	0.142	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	6.1	-179.6	-71.9	0	0	0	0	114.5	C111 G112	C111-C154 HydrophobicContact CB-CB 3.93Å; C111-C154 WeakPolarHBondContact CB-SG 3.34Å; C111-C154 WeakPolarHBondContact SG-CA 3.38Å; C111-C154 WeakPolarHBondContact SG-CB 3.11Å; C111-C154 CovalentContact SG-SG 2.04Å; C111-C154 PolarHBondContact SG-SG 3.06Å; G112-C154 WeakPolarHBondContact CA-O 3.5Å; G112-C154 PolarHBondContact N-O 3.16Å
155	D	78.1	Confident	90.6	Very high	107 Å²	107	36 Å²	36	57%	0.572	20%	0.196	S	C	*	.	B	Isolated β-bridge	trans	-99.8	16.2	-179	-66.6	-30.4	0	0	0	112.6	R53 G153	R53-D155 WeakPolarHBondContact CB-O 3.42Å; G153-D155 VanDerWaalsContact C-N 3.31Å
156	G	80.9	Confident	90.7	Very high	8 Å²	8	36 Å²	36	8%	0.082	20%	0.196	C	C	.	.			trans	103.8	176.7	-179.3	0	0	0	0	0	113.4	G112 Y115 Q152	G112-G156 WeakPolarHBondContact O-CA 3.48Å; G112-G156 PolarHBondContact O-N 3.09Å; Y115-G156 VanDerWaalsContact CE1-O 3.27Å; Y115-G156 WeakPolarHBondContact CE1-O 3.42Å; Q152-G156 WeakPolarHBondContact CB-O 3.42Å
157	G	86.8	Confident	90.9	Very high	23 Å²	23	35.4 Å²	35.4	24%	0.237	19%	0.193	C	C	.	.			trans	172.5	-168.6	179.7	0	0	0	0	0	113.9	Y115 Q152	Y115-G157 VanDerWaalsContact CB-C 3.48Å; Y115-G157 VanDerWaalsContact CB-O 3.32Å; Y115-G157 WeakPolarHBondContact CB-O 3.4Å; Y115-G157 VanDerWaalsContact CG-CA 3.48Å; Q152-G157 VanDerWaalsContact NE2-CA 3.33Å
158	F	89.1	Confident	91	Very high	87 Å²	87	37.2 Å²	37.2	38%	0.382	20%	0.198	S	C	.	.			trans	-122.6	126.6	-172.5	-59.2	-75.5	0	0	0	112	Q152 F160 L161	Q152-F158 VanDerWaalsContact NE2-CD2 3.35Å; F158-F160 PolarHBondContact O-N 3.18Å; F158-L161 HydrophobicContact CB-CD1 4.39Å; F158-L161 HydrophobicContact CB-CG 4.33Å; F158-L161 HydrophobicContact CD2-CD1 4.17Å; F158-L161 PolarHBondContact O-N 2.97Å; F158-L161 VanDerWaalsContact O-N 3.08Å
159	P	93.1	Very high	91	Very high	20 Å²	20	39.8 Å²	39.8	13%	0.13	21%	0.211	C	C	.	.	H	α-helix	trans	-56.6	-33.2	176.6	-28.6	36.2	0	0	0	114.2	S119 L161 I162 A163 A230 A272 F319	S119-P159 WeakPolarHBondContact OG-CA 3.36Å; S119-P159 WeakPolarHBondContact OG-CB 3.38Å; S119-P159 PolarHBondContact OG-O 3.49Å; P159-L161 PolarHBondContact O-N 3Å; P159-I162 PolarHBondContact O-N 3.06Å; P159-A163 PolarHBondContact O-N 2.85Å; P159-A230 HydrophobicContact CB-CB 3.79Å; P159-A230 HydrophobicContact CG-CB 4.12Å; P159-A272 HydrophobicContact CG-CB 3.92Å; P159-F319 HydrophobicContact CB-CD1 4.17Å
160	F	92.8	Very high	91	Very high	53 Å²	53	39.8 Å²	39.8	23%	0.232	20%	0.202	C	C	.	.	I	π-helix	trans	-53.7	-41.1	176.1	-177.4	-83.6	0	0	0	112.9	F158 I162 G164 K165 Y204 Y206 F319	F158-F160 PolarHBondContact O-N 3.18Å; F160-I162 VanDerWaalsContact C-N 3.32Å; F160-G164 VanDerWaalsContact O-CA 3.26Å; F160-G164 WeakPolarHBondContact O-CA 3.43Å; F160-G164 PolarHBondContact O-N 3.12Å; F160-K165 PolarHBondContact O-N 3Å; F160-Y204 HydrophobicContact CD1-CE2 4.46Å; F160-Y204 HydrophobicContact CD2-CD2 4.4Å; F160-Y204 HydrophobicContact CE1-CD2 4.33Å; F160-Y204 AromaticContact CE1-CE2 3.76Å; F160-Y204 HydrophobicContact CE1-CE2 3.76Å; F160-Y204 AromaticContact CE2-CD2 3.94Å; F160-Y204 HydrophobicContact CE2-CD2 3.94Å; F160-Y204 HydrophobicContact CE2-CE2 4.05Å; F160-Y204 AromaticContact CZ-CD2 3.9Å; F160-Y204 HydrophobicContact CZ-CD2 3.9Å; F160-Y204 AromaticContact CZ-CE2 3.52Å; F160-Y204 HydrophobicContact CZ-CE2 3.52Å; F160-Y206 HydrophobicContact CB-CE1 4.4Å; F160-Y206 AromaticContact CD2-CD2 3.93Å; F160-Y206 HydrophobicContact CD2-CD2 3.93Å; F160-Y206 HydrophobicContact CD2-CE1 4.19Å; F160-Y206 AromaticContact CD2-CE2 3.49Å; F160-Y206 HydrophobicContact CD2-CE2 3.49Å; F160-Y206 VanDerWaalsContact CD2-CE2 3.49Å; F160-Y206 HydrophobicContact CD2-CG 4.44Å; F160-Y206 AromaticContact CD2-CZ 3.62Å; F160-Y206 AromaticContact CE2-CD2 3.95Å; F160-Y206 HydrophobicContact CE2-CD2 3.95Å; F160-Y206 AromaticContact CE2-CE2 3.7Å; F160-Y206 HydrophobicContact CE2-CE2 3.7Å; F160-Y206 HydrophobicContact CG-CE2 4.14Å; F160-Y206 AromaticContact CG-CZ 3.94Å; F160-Y206 HydrophobicContact CZ-CE2 4.46Å; F160-F319 HydrophobicContact CB-CD2 3.92Å; F160-F319 HydrophobicContact CB-CE2 3.99Å; F160-F319 AromaticContact CD2-CD2 3.57Å; F160-F319 HydrophobicContact CD2-CD2 3.57Å; F160-F319 AromaticContact CD2-CE2 3.47Å; F160-F319 HydrophobicContact CD2-CE2 3.47Å; F160-F319 VanDerWaalsContact CD2-CE2 3.47Å; F160-F319 HydrophobicContact CE2-CE2 4.2Å; F160-F319 HydrophobicContact CG-CD2 4.14Å; F160-F319 AromaticContact CG-CE2 3.95Å; F160-F319 HydrophobicContact CG-CE2 3.95Å
161	L	94.2	Very high	91	Very high	49 Å²	49	36.4 Å²	36.4	26%	0.257	19%	0.189	S	C	.	.	I	π-helix	trans	-76.2	-21.7	-179.3	-69.6	-178.3	0	0	0	112.8	F158 P159 H166	F158-L161 HydrophobicContact CB-CD1 4.39Å; F158-L161 HydrophobicContact CB-CG 4.33Å; F158-L161 HydrophobicContact CD2-CD1 4.17Å; F158-L161 PolarHBondContact O-N 2.97Å; F158-L161 VanDerWaalsContact O-N 3.08Å; P159-L161 PolarHBondContact O-N 3Å; L161-H166 PolarHBondContact O-N 3.33Å
162	I	96.2	Very high	91.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-99.3	-63.2	-174.6	-57.6	-50.1	0	0	0	111.6	Y115 I116 V144 A151 P159 F160 G164 H166 A167 M172	Y115-I162 HydrophobicContact CD2-CD1 4.45Å; Y115-I162 HydrophobicContact CD2-CG1 3.62Å; Y115-I162 HydrophobicContact CE2-CD1 4.02Å; Y115-I162 HydrophobicContact CE2-CG1 3.67Å; I116-I162 HydrophobicContact CG1-CG1 4.39Å; I116-I162 HydrophobicContact CG2-CG2 4.39Å; V144-I162 HydrophobicContact CG1-CD1 3.77Å; V144-I162 HydrophobicContact CG1-CG1 4.36Å; V144-I162 HydrophobicContact CG1-CG2 3.71Å; A151-I162 HydrophobicContact CB-CD1 4.09Å; P159-I162 PolarHBondContact O-N 3.06Å; F160-I162 VanDerWaalsContact C-N 3.32Å; I162-G164 PolarHBondContact O-N 2.95Å; I162-H166 HydrophobicContact CD1-CB 4.5Å; I162-A167 PolarHBondContact O-N 3.16Å; I162-M172 HydrophobicContact CG2-CE 3.9Å
163	A	95.4	Very high	91.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-73.2	-14.1	178	0	0	0	0	0	112.8	S119 L123 P159 F319 S321	S119-A163 VanDerWaalsContact CB-CB 3.5Å; L123-A163 HydrophobicContact CD1-CB 3.93Å; L123-A163 HydrophobicContact CD2-CB 4.39Å; L123-A163 HydrophobicContact CG-CB 3.97Å; P159-A163 PolarHBondContact O-N 2.85Å; A163-F319 HydrophobicContact CB-CD1 4.48Å; A163-F319 HydrophobicContact CB-CE1 3.57Å; A163-F319 HydrophobicContact CB-CZ 4.34Å; A163-S321 WeakPolarHBondContact O-CB 3.35Å; A163-S321 PolarHBondContact O-OG 2.91Å
164	G	94.3	Very high	91.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	I	π-helix	trans	-95.4	-88.8	168.8	0	0	0	0	0	111.7	F160 I162 H166 A167 E168	F160-G164 VanDerWaalsContact O-CA 3.26Å; F160-G164 WeakPolarHBondContact O-CA 3.43Å; F160-G164 PolarHBondContact O-N 3.12Å; I162-G164 PolarHBondContact O-N 2.95Å; G164-H166 PolarHBondContact O-N 3.15Å; G164-A167 PolarHBondContact O-N 2.81Å; G164-E168 WeakPolarHBondContact O-CB 3.26Å; G164-E168 PolarHBondContact O-N 2.77Å
165	K	95.1	Very high	92.1	Very high	50 Å²	50	32.6 Å²	32.6	22%	0.217	17%	0.167	C	C	.	.	I	π-helix	trans	-61.9	-47.7	-166.7	-159.1	76.5	-164.8	99.3	0	114.6	Y150 F160 E168 D169 Y204	Y150-K165 HydrophobicContact CD1-CG 4.32Å; Y150-K165 HydrophobicContact CD2-CB 3.93Å; Y150-K165 HydrophobicContact CD2-CG 3.79Å; Y150-K165 HydrophobicContact CE1-CG 3.93Å; Y150-K165 HydrophobicContact CE2-CB 3.96Å; Y150-K165 HydrophobicContact CE2-CG 3.31Å; Y150-K165 HydrophobicContact CG-CB 4.35Å; Y150-K165 HydrophobicContact CG-CG 4.27Å; Y150-K165 VanDerWaalsContact CZ-CG 3.42Å; F160-K165 PolarHBondContact O-N 3Å; K165-E168 IonicContact NZ-OE2 2.76Å; K165-E168 PolarHBondContact NZ-OE2 2.96Å; K165-E168 PolarHBondContact O-N 3.08Å; K165-D169 WeakPolarHBondContact CE-OD2 3.45Å; K165-D169 WeakPolarHBondContact CG-OD2 3.2Å; K165-D169 IonicContact NZ-OD1 2.9Å; K165-D169 PolarHBondContact NZ-OD1 2.92Å; K165-D169 IonicContact NZ-OD2 2.77Å; K165-D169 PolarHBondContact NZ-OD2 3.08Å; K165-D169 WeakPolarHBondContact O-CB 3.32Å; K165-D169 PolarHBondContact O-N 2.69Å; K165-Y204 WeakPolarHBondContact CD-OH 3.28Å
166	H	96.4	Very high	92.7	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.014	18%	0.175	C	C	.	.	I	π-helix	trans	-64.7	-45.6	178	175	78.9	0	0	0	112	S148 Y150 L161 I162 G164 E168 D169 F170 G171	S148-H166 VanDerWaalsContact CB-ND1 3.28Å; S148-H166 WeakPolarHBondContact CB-ND1 3.29Å; S148-H166 PolarHBondContact OG-ND1 2.72Å; S148-H166 VanDerWaalsContact OG-ND1 3.17Å; Y150-H166 HydrophobicContact CD2-CB 4.14Å; L161-H166 PolarHBondContact O-N 3.33Å; I162-H166 HydrophobicContact CD1-CB 4.5Å; G164-H166 PolarHBondContact O-N 3.15Å; H166-E168 VanDerWaalsContact C-N 3.26Å; H166-E168 PolarHBondContact O-N 2.95Å; H166-D169 PolarHBondContact O-N 2.89Å; H166-F170 AromaticContact ND1-CD2 3.85Å; H166-F170 WeakPolarHBondContact O-CA 3.31Å; H166-F170 PolarHBondContact O-N 3.47Å; H166-G171 PolarHBondContact NE2-O 3.02Å; H166-G171 PolarHBondContact O-N 2.94Å
167	A	96.6	Very high	93.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.6	-30.4	177.9	0	0	0	0	0	113	L123 I162 G164 M172 Y200 A201	L123-A167 HydrophobicContact CD1-CB 3.82Å; I162-A167 PolarHBondContact O-N 3.16Å; G164-A167 PolarHBondContact O-N 2.81Å; A167-M172 HydrophobicContact CB-CE 4.25Å; A167-Y200 VanDerWaalsContact O-CA 3.25Å; A167-Y200 WeakPolarHBondContact O-CA 3.34Å; A167-Y200 WeakPolarHBondContact O-CD1 3.11Å; A167-A201 HydrophobicContact CB-CB 3.65Å; A167-A201 PolarHBondContact O-N 3.46Å
168	E	94.2	Very high	93.3	Very high	70 Å²	70	34 Å²	34	33%	0.327	18%	0.177	S	C	.	.	H	α-helix	trans	-74.8	-50.9	174	-179.6	-177	-113.4	0	0	112.4	G164 K165 H166 Y200 A201 Y204	G164-E168 WeakPolarHBondContact O-CB 3.26Å; G164-E168 PolarHBondContact O-N 2.77Å; K165-E168 IonicContact NZ-OE2 2.76Å; K165-E168 PolarHBondContact NZ-OE2 2.96Å; K165-E168 PolarHBondContact O-N 3.08Å; H166-E168 VanDerWaalsContact C-N 3.26Å; H166-E168 PolarHBondContact O-N 2.95Å; E168-Y200 WeakPolarHBondContact O-CD1 3.47Å; E168-A201 VanDerWaalsContact CA-O 3.25Å; E168-A201 WeakPolarHBondContact CA-O 3.23Å; E168-A201 WeakPolarHBondContact CB-O 3.19Å; E168-Y204 HydrophobicContact CB-CE1 4.32Å
169	D	93.5	Very high	93.6	Very high	65 Å²	65	33.6 Å²	33.6	35%	0.348	18%	0.184	S	C	.	.	H	α-helix	trans	-84	-38	-170.2	-67.8	-26.8	0	0	0	113.6	Y150 K165 H166	Y150-D169 WeakPolarHBondContact CE2-OD2 3.29Å; Y150-D169 PolarHBondContact OH-OD2 3.28Å; K165-D169 WeakPolarHBondContact CE-OD2 3.45Å; K165-D169 WeakPolarHBondContact CG-OD2 3.2Å; K165-D169 IonicContact NZ-OD1 2.9Å; K165-D169 PolarHBondContact NZ-OD1 2.92Å; K165-D169 IonicContact NZ-OD2 2.77Å; K165-D169 PolarHBondContact NZ-OD2 3.08Å; K165-D169 WeakPolarHBondContact O-CB 3.32Å; K165-D169 PolarHBondContact O-N 2.69Å; H166-D169 PolarHBondContact O-N 2.89Å
170	F	91.8	Very high	93.7	Very high	85 Å²	85	34.1 Å²	34.1	37%	0.373	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-23.2	-170.5	-61.4	-73.8	0	0	0	112.8	P149 Y150 H166 R198	P149-F170 HydrophobicContact CG-CD2 4.34Å; P149-F170 HydrophobicContact CG-CE2 3.4Å; P149-F170 VanDerWaalsContact CG-CE2 3.4Å; P149-F170 HydrophobicContact CG-CZ 3.65Å; Y150-F170 HydrophobicContact CD2-CD2 4.48Å; Y150-F170 HydrophobicContact CD2-CE2 4.24Å; Y150-F170 HydrophobicContact CE2-CD2 4.06Å; Y150-F170 AromaticContact CE2-CE2 3.57Å; Y150-F170 HydrophobicContact CE2-CE2 3.57Å; H166-F170 AromaticContact ND1-CD2 3.85Å; H166-F170 WeakPolarHBondContact O-CA 3.31Å; H166-F170 PolarHBondContact O-N 3.47Å; F170-R198 WeakPolarHBondContact O-CD 3.5Å; F170-R198 PolarHBondContact O-NE 3.38Å
171	G	92.5	Very high	93.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	19%	0.192	C	C	.	.			trans	68	167.8	-173.5	0	0	0	0	0	112.5	H166 Y199	H166-G171 PolarHBondContact NE2-O 3.02Å; H166-G171 PolarHBondContact O-N 2.94Å; G171-Y199 CarbonylContact C-O 3.48Å; G171-Y199 VanDerWaalsContact CA-O 3.27Å; G171-Y199 WeakPolarHBondContact CA-O 3.22Å
172	M	92.5	Very high	93.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-105.7	136.4	177.2	-63.9	-170.2	171.1	0	0	110.7	V120 L123 F139 I162 A167 R198 Y199	V120-M172 HydrophobicContact CG2-CE 4.4Å; V120-M172 HydrophobicContact CG2-SD 4.15Å; L123-M172 HydrophobicContact CD1-CE 3.42Å; L123-M172 VanDerWaalsContact CD1-CE 3.42Å; L123-M172 HydrophobicContact CD1-SD 3.56Å; L123-M172 VanDerWaalsContact CD1-SD 3.56Å; F139-M172 HydrophobicContact CB-CB 4.12Å; F139-M172 HydrophobicContact CB-SD 4.03Å; F139-M172 HydrophobicContact CD1-CB 4.05Å; F139-M172 HydrophobicContact CD2-SD 3.79Å; F139-M172 HydrophobicContact CG-CB 3.98Å; F139-M172 HydrophobicContact CG-SD 4.01Å; I162-M172 HydrophobicContact CG2-CE 3.9Å; A167-M172 HydrophobicContact CB-CE 4.25Å; M172-R198 WeakPolarHBondContact O-CA 3.4Å; M172-Y199 PolarHBondContact N-O 3.2Å; M172-Y199 PolarHBondContact O-N 3.18Å
173	V	93	Very high	93.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.			trans	-88.6	167.4	167.5	-54.4	0	0	0	0	110.9	F139 S140 D143 C177 C196 R198	F139-V173 CarbonylContact C-O 3.49Å; F139-V173 WeakPolarHBondContact CA-O 3.46Å; S140-V173 PolarHBondContact N-O 3.15Å; D143-V173 HydrophobicContact CB-CG2 3.39Å; D143-V173 VanDerWaalsContact CG-CG2 3.43Å; V173-C177 HydrophobicContact CB-CB 4.13Å; V173-C177 HydrophobicContact CG2-CB 4.02Å; V173-C196 HydrophobicContact CB-CB 4.13Å; V173-C196 HydrophobicContact CG1-CB 3.88Å; V173-R198 HydrophobicContact CG1-CG 3.95Å
174	T	93.6	Very high	93.1	Very high	25 Å²	25	43.8 Å²	43.8	15%	0.153	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-79.5	156.9	178.2	55.6	0	0	0	0	112.7	T138 S140 S176 C177 Y199	T138-T174 CarbonylContact O-C 3.55Å; T138-T174 WeakPolarHBondContact O-CA 3.47Å; S140-T174 WeakPolarHBondContact CB-O 3.4Å; T174-S176 PolarHBondContact O-N 2.94Å; T174-S176 PolarHBondContact OG1-OG 2.63Å; T174-S176 VanDerWaalsContact OG1-OG 3.1Å; T174-C177 VanDerWaalsContact O-CB 3.28Å; T174-C177 WeakPolarHBondContact O-CB 3.38Å; T174-C177 PolarHBondContact O-N 2.97Å; T174-Y199 HydrophobicContact CG2-CD2 4.48Å; T174-Y199 HydrophobicContact CG2-CE2 3.72Å
175	E	94.1	Very high	93	Very high	37 Å²	37	48.3 Å²	48.3	17%	0.173	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.6	176.1	-176.2	66.5	-169.3	0	0	112.8	R106 T138 P141 C177 E178 P179 Y180	R106-E175 IonicContact CZ-OE1 3.64Å; R106-E175 IonicContact CZ-OE2 3.24Å; R106-E175 VanDerWaalsContact CZ-OE2 3.25Å; R106-E175 IonicContact NH1-OE1 2.61Å; R106-E175 IonicContact NH1-OE2 3Å; R106-E175 PolarHBondContact NH1-OE2 3.02Å; R106-E175 IonicContact NH2-OE1 2.84Å; R106-E175 PolarHBondContact NH2-OE1 3.01Å; R106-E175 IonicContact NH2-OE2 3.63Å; R106-E175 PolarHBondContact NH2-OE2 2.94Å; T138-E175 HydrophobicContact CG2-CB 4.01Å; T138-E175 PolarHBondContact O-N 3.19Å; P141-E175 VanDerWaalsContact CD-OE2 3.24Å; P141-E175 WeakPolarHBondContact CD-OE2 3.18Å; E175-C177 PolarHBondContact O-N 3.09Å; E175-E178 CarbonylContact O-C 3.48Å; E175-E178 VanDerWaalsContact O-C 3.3Å; E175-E178 PolarHBondContact O-N 2.9Å; E175-P179 WeakPolarHBondContact O-CA 3.45Å; E175-P179 WeakPolarHBondContact OE1-CA 3.43Å; E175-Y180 PolarHBondContact OE1-N 3Å
176	S	91.3	Very high	92.7	Very high	105 Å²	105	51.4 Å²	51.4	73%	0.734	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.4	176.9	51.7	0	0	0	0	113.3	T174	T174-S176 PolarHBondContact O-N 2.94Å; T174-S176 PolarHBondContact OG1-OG 2.63Å; T174-S176 VanDerWaalsContact OG1-OG 3.1Å
177	C	89.6	Confident	92.2	Very high	37 Å²	37	54.4 Å²	54.4	25%	0.25	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-38.8	176.6	-80.7	0	0	0	0	113	V173 T174 E175 C196	V173-C177 HydrophobicContact CB-CB 4.13Å; V173-C177 HydrophobicContact CG2-CB 4.02Å; T174-C177 VanDerWaalsContact O-CB 3.28Å; T174-C177 WeakPolarHBondContact O-CB 3.38Å; T174-C177 PolarHBondContact O-N 2.97Å; E175-C177 PolarHBondContact O-N 3.09Å; C177-C196 HydrophobicContact CB-CB 3.86Å; C177-C196 WeakPolarHBondContact CB-SG 3.49Å; C177-C196 WeakPolarHBondContact SG-CB 3.37Å; C177-C196 CovalentContact SG-SG 2.02Å; C177-C196 PolarHBondContact SG-SG 3.36Å
178	E	90.9	Very high	91.2	Very high	25 Å²	25	63.4 Å²	63.4	12%	0.117	33%	0.333	C	S	.	.	S	Bend	trans	-145.9	92.7	176.8	-162.1	165.4	-178.1	0	0	110.1	S140 Q142 D143 N146 E175	S140-E178 WeakPolarHBondContact CB-O 3.45Å; S140-E178 PolarHBondContact OG-O 3.11Å; Q142-E178 HydrophobicContact CB-CB 4.47Å; Q142-E178 HydrophobicContact CB-CG 3.99Å; Q142-E178 WeakPolarHBondContact CB-O 3.45Å; Q142-E178 HydrophobicContact CG-CG 3.75Å; D143-E178 VanDerWaalsContact CA-OE2 3.32Å; D143-E178 WeakPolarHBondContact CA-OE2 3.45Å; D143-E178 HydrophobicContact CB-CB 4.28Å; D143-E178 WeakPolarHBondContact CB-OE2 3.37Å; N146-E178 PolarHBondContact ND2-OE1 2.96Å; E175-E178 CarbonylContact O-C 3.48Å; E175-E178 VanDerWaalsContact O-C 3.3Å; E175-E178 PolarHBondContact O-N 2.9Å
179	P	93.7	Very high	89.6	Confident	80 Å²	80	65.2 Å²	65.2	52%	0.519	35%	0.345	S	S	.	.			trans	-63.7	143.2	-178.5	-25.3	35.2	0	0	0	112.6	Q142 E175 T181	Q142-P179 WeakPolarHBondContact CG-O 3.43Å; E175-P179 WeakPolarHBondContact O-CA 3.45Å; E175-P179 WeakPolarHBondContact OE1-CA 3.43Å; P179-T181 PolarHBondContact O-N 3.38Å
180	Y	96	Very high	87.8	Confident	30 Å²	30	63.5 Å²	63.5	12%	0.118	34%	0.336	C	S	.	.			trans	-69.6	128.3	-179.5	-172.5	-107.8	0	0	0	113.5	Q108 C111 S113 F117 P141 Q142 E175 A182	Q108-Y180 WeakPolarHBondContact O-CE1 3.48Å; Q108-Y180 PolarHBondContact O-OH 2.94Å; C111-Y180 WeakPolarHBondContact CB-OH 3.32Å; S113-Y180 PolarHBondContact OG-OH 2.85Å; F117-Y180 HydrophobicContact CE2-CD1 4.44Å; F117-Y180 HydrophobicContact CE2-CD2 4.3Å; F117-Y180 AromaticContact CE2-CE1 3.88Å; F117-Y180 HydrophobicContact CE2-CE1 3.88Å; F117-Y180 AromaticContact CE2-CE2 3.73Å; F117-Y180 HydrophobicContact CE2-CE2 3.73Å; F117-Y180 AromaticContact CE2-CZ 3.48Å; F117-Y180 VanDerWaalsContact CE2-CZ 3.48Å; F117-Y180 AromaticContact CZ-CD1 3.78Å; F117-Y180 HydrophobicContact CZ-CD1 3.78Å; F117-Y180 HydrophobicContact CZ-CD2 4.12Å; F117-Y180 AromaticContact CZ-CE1 3.58Å; F117-Y180 HydrophobicContact CZ-CE1 3.58Å; F117-Y180 AromaticContact CZ-CE2 3.95Å; F117-Y180 HydrophobicContact CZ-CE2 3.95Å; F117-Y180 HydrophobicContact CZ-CG 4.02Å; F117-Y180 AromaticContact CZ-CZ 3.67Å; P141-Y180 HydrophobicContact CB-CD2 3.91Å; P141-Y180 HydrophobicContact CB-CE2 4.21Å; P141-Y180 HydrophobicContact CG-CD2 4.46Å; Q142-Y180 HydrophobicContact CB-CD2 4.26Å; E175-Y180 PolarHBondContact OE1-N 3Å; Y180-A182 HydrophobicContact CD1-CB 4.46Å; Y180-A182 HydrophobicContact CE1-CB 3.63Å; Y180-A182 VanDerWaalsContact CZ-CA 3.46Å
181	T	94.7	Very high	86	Confident	67 Å²	67	68.5 Å²	68.5	41%	0.411	35%	0.353	S	S	.	.			trans	-121.3	1.4	179.6	66.8	0	0	0	0	113.5	Q142 P179 H183 F185	Q142-T181 PolarHBondContact OE1-OG1 2.93Å; P179-T181 PolarHBondContact O-N 3.38Å; T181-H183 PolarHBondContact O-CD2 3.08Å; T181-H183 PolarHBondContact O-N 2.04Å; T181-F185 VanDerWaalsContact OG1-CE2 3.29Å; T181-F185 WeakPolarHBondContact OG1-CE2 3.49Å
182	A	91.6	Very high	84.1	Confident	10 Å²	10	75.1 Å²	75.1	8%	0.083	39%	0.388	C	S	.	.	S	Bend	trans	57.9	26.5	-177.4	0	0	0	0	0	115.3	H109 C111 Y180	H109-A182 HydrophobicContact CB-CB 3.79Å; C111-A182 HydrophobicContact CB-CB 4.13Å; C111-A182 WeakPolarHBondContact CB-O 3.15Å; Y180-A182 HydrophobicContact CD1-CB 4.46Å; Y180-A182 HydrophobicContact CE1-CB 3.63Å; Y180-A182 VanDerWaalsContact CZ-CA 3.46Å
183	H	91.1	Very high	82.2	Confident	122 Å²	122	80.9 Å²	80.9	57%	0.565	42%	0.423	S	S	*	.	S	Bend	trans	-136.6	137.1	175.4	-68.5	-71.9	0	0	0	109.2	Q142 T181 F185	Q142-H183 PolarHBondContact NE2-O 2.92Å; T181-H183 PolarHBondContact O-CD2 3.08Å; T181-H183 PolarHBondContact O-N 2.04Å; H183-F185 HydrophobicContact CB-CE1 4.48Å; H183-F185 HydrophobicContact CB-CE2 4.17Å; H183-F185 HydrophobicContact CB-CZ 3.96Å
184	Q	89.1	Confident	80.5	Confident	106 Å²	106	85 Å²	85	50%	0.495	45%	0.448	S	S	.	.			trans	-81	127.5	173.7	-175.1	174.1	9.8	0	0	109.9	L145	L145-Q184 HydrophobicContact CD1-CB 4.34Å; L145-Q184 HydrophobicContact CD2-CB 4.11Å; L145-Q184 HydrophobicContact CG-CB 3.92Å; L145-Q184 HydrophobicContact CG-CG 4.13Å; L145-Q184 WeakPolarHBondContact O-CG 3.25Å; L145-Q184 PolarHBondContact O-NE2 3.04Å; L145-Q184 VanDerWaalsContact O-NE2 3.17Å
185	F	91.1	Very high	79.5	Confident	96 Å²	96	89.7 Å²	89.7	42%	0.421	48%	0.479	S	S	.	.			trans	-114.3	160.9	172.3	-60.6	-68.1	0	0	0	110.1	N146 T181 H183 C187	N146-F185 WeakPolarHBondContact CB-O 3.41Å; N146-F185 PolarHBondContact OD1-N 2.88Å; N146-F185 PolarHBondContact OD1-O 3.12Å; T181-F185 VanDerWaalsContact OG1-CE2 3.29Å; T181-F185 WeakPolarHBondContact OG1-CE2 3.49Å; H183-F185 HydrophobicContact CB-CE1 4.48Å; H183-F185 HydrophobicContact CB-CE2 4.17Å; H183-F185 HydrophobicContact CB-CZ 3.96Å; F185-C187 PolarHBondContact O-N 2.95Å
186	P	88.9	Confident	79	Confident	114 Å²	114	88.6 Å²	88.6	74%	0.74	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-55	136.7	166.9	-23.2	33.9	0	0	0	110.5	R188	P186-R188 PolarHBondContact O-N 3.25Å; P186-R188 VanDerWaalsContact O-N 3.16Å
187	C	86.1	Confident	78.8	Confident	66 Å²	66	89.2 Å²	89.2	45%	0.446	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-53.1	122.1	176.2	-177.4	0	0	0	0	110.8	N146 C147 F185	N146-C187 VanDerWaalsContact O-CB 3.32Å; N146-C187 WeakPolarHBondContact O-CB 3.19Å; N146-C187 PolarHBondContact O-N 3.38Å; C147-C187 VanDerWaalsContact CA-SG 3.55Å; C147-C187 HydrophobicContact CB-CB 3.91Å; C147-C187 WeakPolarHBondContact CB-SG 3.45Å; C147-C187 WeakPolarHBondContact SG-CA 3.33Å; C147-C187 WeakPolarHBondContact SG-CB 3.4Å; C147-C187 CovalentContact SG-SG 2.04Å; C147-C187 PolarHBondContact SG-SG 3.49Å; F185-C187 PolarHBondContact O-N 2.95Å
188	R	75.3	Confident	78.8	Confident	189 Å²	189	91.1 Å²	91.1	71%	0.713	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-89.6	127.7	168.2	-67.5	-178.7	-177.9	175.8	1.8	107.2	P186 N190	P186-R188 PolarHBondContact O-N 3.25Å; P186-R188 VanDerWaalsContact O-N 3.16Å; R188-N190 VanDerWaalsContact C-N 3.28Å; R188-N190 PolarHBondContact O-N 3.19Å
189	N	60.8	Low	79	Confident	108 Å²	108	91.6 Å²	91.6	58%	0.578	47%	0.469	S	S	*	.			trans	-69.4	91.5	176.7	-131.5	-9.4	0	0	0	108	R191 D192	N189-R191 PolarHBondContact O-N 3.44Å; N189-D192 PolarHBondContact O-N 3.39Å
190	N	56.9	Low	79	Confident	29 Å²	29	92.4 Å²	92.4	16%	0.155	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	2.2	-177.5	-128.9	-3.9	0	0	0	112.7	R188 D192	R188-N190 VanDerWaalsContact C-N 3.28Å; R188-N190 PolarHBondContact O-N 3.19Å; N190-D192 VanDerWaalsContact C-N 3.26Å; N190-D192 PolarHBondContact O-N 2.83Å
191	R	53	Low	79	Confident	191 Å²	191	91 Å²	91	72%	0.721	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-27	173.9	-70.8	-173.1	179.4	-173.7	0.5	113	N189	N189-R191 PolarHBondContact O-N 3.44Å
192	D	52.8	Low	79	Confident	140 Å²	140	88.5 Å²	88.5	75%	0.749	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-14.2	-167.6	-65.8	-27.1	0	0	0	115	N189 N190	N189-D192 PolarHBondContact O-N 3.39Å; N190-D192 VanDerWaalsContact C-N 3.26Å; N190-D192 PolarHBondContact O-N 2.83Å
193	V	53.8	Low	79	Confident	121 Å²	121	89.5 Å²	89.5	73%	0.733	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-43.6	-171.1	-167.4	0	0	0	0	112.6
194	T	56.6	Low	79.1	Confident	88 Å²	88	86.2 Å²	86.2	54%	0.54	43%	0.429	S	S	.	.			trans	-158.5	124.8	172.6	-56.8	0	0	0	0	108.2	C196	T194-C196 PolarHBondContact O-N 3.22Å
195	P	72.9	Confident	79.2	Confident	122 Å²	122	84.7 Å²	84.7	79%	0.792	42%	0.422	S	S	*	.			trans	-67.2	98.5	-179.4	26	-31.9	0	0	0	109.8
196	C	83.2	Confident	79.2	Confident	15 Å²	15	82.4 Å²	82.4	10%	0.101	41%	0.411	C	S	.	.			trans	-71.4	125.4	170.6	-72.1	0	0	0	0	110.1	V173 C177 T194	V173-C196 HydrophobicContact CB-CB 4.13Å; V173-C196 HydrophobicContact CG1-CB 3.88Å; C177-C196 HydrophobicContact CB-CB 3.86Å; C177-C196 WeakPolarHBondContact CB-SG 3.49Å; C177-C196 WeakPolarHBondContact SG-CB 3.37Å; C177-C196 CovalentContact SG-SG 2.02Å; C177-C196 PolarHBondContact SG-SG 3.36Å; T194-C196 PolarHBondContact O-N 3.22Å
197	E	86.2	Confident	79.2	Confident	118 Å²	118	77.2 Å²	77.2	55%	0.551	38%	0.377	S	S	*	.			trans	-57.9	141.8	170.7	-173.5	175.2	-171.1	0	0	110.1	Y199	E197-Y199 HydrophobicContact CB-CE2 4.37Å; E197-Y199 HydrophobicContact CG-CE2 4.11Å; E197-Y199 PolarHBondContact OE2-OH 3.43Å
198	R	90.7	Very high	79.1	Confident	77 Å²	77	75.8 Å²	75.8	29%	0.291	37%	0.374	S	S	.	.			trans	-116.5	132	-179.6	-78.7	176.1	165.6	75.6	6.9	110.5	F170 M172 V173 Y200	F170-R198 WeakPolarHBondContact O-CD 3.5Å; F170-R198 PolarHBondContact O-NE 3.38Å; M172-R198 WeakPolarHBondContact O-CA 3.4Å; V173-R198 HydrophobicContact CG1-CG 3.95Å; R198-Y200 HydrophobicContact CB-CD2 4.38Å; R198-Y200 HydrophobicContact CB-CE2 3.61Å
199	Y	94	Very high	79.4	Confident	34 Å²	34	69.3 Å²	69.3	13%	0.133	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-105.8	124.4	178.4	-62.3	-96.3	0	0	0	109.1	Y127 P137 F139 G171 M172 T174 E197	Y127-Y199 HydrophobicContact CD2-CD1 4.49Å; Y127-Y199 AromaticContact CE2-CD1 3.68Å; Y127-Y199 HydrophobicContact CE2-CD1 3.68Å; Y127-Y199 HydrophobicContact CE2-CE1 4.33Å; Y127-Y199 AromaticContact CZ-CD1 3.86Å; P137-Y199 HydrophobicContact CB-CE1 4.12Å; P137-Y199 HydrophobicContact CB-CE2 4.31Å; P137-Y199 HydrophobicContact CG-CD1 4.43Å; P137-Y199 HydrophobicContact CG-CE1 4.27Å; F139-Y199 HydrophobicContact CD1-CD2 4.14Å; F139-Y199 HydrophobicContact CD1-CG 4.4Å; F139-Y199 HydrophobicContact CE1-CD1 4.09Å; F139-Y199 AromaticContact CE1-CD2 3.55Å; F139-Y199 HydrophobicContact CE1-CD2 3.55Å; F139-Y199 HydrophobicContact CE1-CE2 4.27Å; F139-Y199 AromaticContact CE1-CG 3.43Å; F139-Y199 HydrophobicContact CE1-CG 3.43Å; F139-Y199 VanDerWaalsContact CE1-CG 3.43Å; F139-Y199 HydrophobicContact CZ-CD1 4.44Å; F139-Y199 HydrophobicContact CZ-CG 4.04Å; G171-Y199 CarbonylContact C-O 3.48Å; G171-Y199 VanDerWaalsContact CA-O 3.27Å; G171-Y199 WeakPolarHBondContact CA-O 3.22Å; M172-Y199 PolarHBondContact N-O 3.2Å; M172-Y199 PolarHBondContact O-N 3.18Å; T174-Y199 HydrophobicContact CG2-CD2 4.48Å; T174-Y199 HydrophobicContact CG2-CE2 3.72Å; E197-Y199 HydrophobicContact CB-CE2 4.37Å; E197-Y199 HydrophobicContact CG-CE2 4.11Å; E197-Y199 PolarHBondContact OE2-OH 3.43Å
200	Y	95.3	Very high	80.3	Confident	98 Å²	98	71.1 Å²	71.1	38%	0.384	37%	0.365	S	S	.	.			trans	-104.6	158.7	-174.7	-66.1	-94.7	0	0	0	111.4	A167 E168 R198 I324	A167-Y200 VanDerWaalsContact O-CA 3.25Å; A167-Y200 WeakPolarHBondContact O-CA 3.34Å; A167-Y200 WeakPolarHBondContact O-CD1 3.11Å; E168-Y200 WeakPolarHBondContact O-CD1 3.47Å; R198-Y200 HydrophobicContact CB-CD2 4.38Å; R198-Y200 HydrophobicContact CB-CE2 3.61Å; Y200-I324 PolarHBondContact O-N 2.93Å
201	A	95.8	Very high	81.5	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.008	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157.3	173.6	0	0	0	0	0	111.1	L123 A167 E168 S321 T322	L123-A201 HydrophobicContact CD1-CB 4.38Å; L123-A201 HydrophobicContact CD2-CB 3.68Å; A167-A201 HydrophobicContact CB-CB 3.65Å; A167-A201 PolarHBondContact O-N 3.46Å; E168-A201 VanDerWaalsContact CA-O 3.25Å; E168-A201 WeakPolarHBondContact CA-O 3.23Å; E168-A201 WeakPolarHBondContact CB-O 3.19Å; A201-S321 WeakPolarHBondContact CB-OG 3.47Å; A201-T322 CarbonylContact C-O 3.49Å; A201-T322 VanDerWaalsContact CA-O 3.24Å; A201-T322 WeakPolarHBondContact CA-O 3.35Å; A201-T322 WeakPolarHBondContact CB-O 3.22Å
202	T	94.3	Very high	82.6	Confident	13 Å²	13	67 Å²	67	8%	0.08	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	-174.4	177.3	-168.4	0	0	0	0	110	Y204 T322 I324 I402 G406	T202-Y204 VanDerWaalsContact C-N 3.29Å; T202-Y204 PolarHBondContact O-N 2.89Å; T202-T322 PolarHBondContact N-O 3.49Å; T202-T322 PolarHBondContact O-N 2.93Å; T202-I324 HydrophobicContact CG2-CD1 4.2Å; T202-I324 HydrophobicContact CG2-CG1 3.79Å; T202-I402 HydrophobicContact CG2-CD1 3.87Å; T202-I402 HydrophobicContact CG2-CG1 4.29Å; T202-I402 HydrophobicContact CG2-CG2 3.63Å; T202-G406 PolarHBondContact OG1-O 2.82Å
203	N	90.8	Very high	84.1	Confident	32 Å²	32	60.7 Å²	60.7	17%	0.171	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	50.2	50.2	178.6	-174.4	48.4	0	0	0	111.7	I402	N203-I402 HydrophobicContact CB-CD1 3.89Å
204	Y	93.6	Very high	85.8	Confident	53 Å²	53	55 Å²	55	21%	0.208	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136	-178.4	70.1	-91.7	0	0	0	111.7	F160 K165 E168 T202 F319 E320	F160-Y204 HydrophobicContact CD1-CE2 4.46Å; F160-Y204 HydrophobicContact CD2-CD2 4.4Å; F160-Y204 HydrophobicContact CE1-CD2 4.33Å; F160-Y204 AromaticContact CE1-CE2 3.76Å; F160-Y204 HydrophobicContact CE1-CE2 3.76Å; F160-Y204 AromaticContact CE2-CD2 3.94Å; F160-Y204 HydrophobicContact CE2-CD2 3.94Å; F160-Y204 HydrophobicContact CE2-CE2 4.05Å; F160-Y204 AromaticContact CZ-CD2 3.9Å; F160-Y204 HydrophobicContact CZ-CD2 3.9Å; F160-Y204 AromaticContact CZ-CE2 3.52Å; F160-Y204 HydrophobicContact CZ-CE2 3.52Å; K165-Y204 WeakPolarHBondContact CD-OH 3.28Å; E168-Y204 HydrophobicContact CB-CE1 4.32Å; T202-Y204 VanDerWaalsContact C-N 3.29Å; T202-Y204 PolarHBondContact O-N 2.89Å; Y204-F319 HydrophobicContact CD2-CE2 4.07Å; Y204-F319 HydrophobicContact CD2-CZ 4.34Å; Y204-F319 HydrophobicContact CG-CE2 4.5Å; Y204-F319 HydrophobicContact CG-CZ 4.44Å; Y204-E320 VanDerWaalsContact CA-O 3.28Å; Y204-E320 WeakPolarHBondContact CA-O 3.27Å
205	Q	91.6	Very high	87.4	Confident	73 Å²	73	51.2 Å²	51.2	34%	0.341	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	163.1	-175.5	60.5	-172.8	-18.8	0	0	112.4	F319 E320	Q205-F319 WeakPolarHBondContact O-CD2 3.32Å; Q205-E320 HydrophobicContact CG-CG 4.04Å; Q205-E320 PolarHBondContact N-O 2.94Å; Q205-E320 PolarHBondContact O-N 3.37Å
206	Y	90.7	Very high	88.5	Confident	49 Å²	49	46.6 Å²	46.6	19%	0.192	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.8	162.1	-69.1	-72.6	0	0	0	109.5	F160 G208 G209 Y210 Y211 A318	F160-Y206 HydrophobicContact CB-CE1 4.4Å; F160-Y206 AromaticContact CD2-CD2 3.93Å; F160-Y206 HydrophobicContact CD2-CD2 3.93Å; F160-Y206 HydrophobicContact CD2-CE1 4.19Å; F160-Y206 AromaticContact CD2-CE2 3.49Å; F160-Y206 HydrophobicContact CD2-CE2 3.49Å; F160-Y206 VanDerWaalsContact CD2-CE2 3.49Å; F160-Y206 HydrophobicContact CD2-CG 4.44Å; F160-Y206 AromaticContact CD2-CZ 3.62Å; F160-Y206 AromaticContact CE2-CD2 3.95Å; F160-Y206 HydrophobicContact CE2-CD2 3.95Å; F160-Y206 AromaticContact CE2-CE2 3.7Å; F160-Y206 HydrophobicContact CE2-CE2 3.7Å; F160-Y206 HydrophobicContact CG-CE2 4.14Å; F160-Y206 AromaticContact CG-CZ 3.94Å; F160-Y206 HydrophobicContact CZ-CE2 4.46Å; Y206-G208 PolarHBondContact O-N 3.19Å; Y206-G209 WeakPolarHBondContact O-CA 3.49Å; Y206-G209 PolarHBondContact O-N 3Å; Y206-Y210 WeakPolarHBondContact CB-O 3.39Å; Y206-Y211 AromaticContact CE1-CD2 3.89Å; Y206-Y211 HydrophobicContact CE1-CD2 3.89Å; Y206-Y211 HydrophobicContact CE2-CD2 4.23Å; Y206-Y211 AromaticContact CZ-CD2 3.69Å; Y206-A318 WeakPolarHBondContact CA-O 3.32Å
207	V	89.8	Confident	89	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.024	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	125.2	172.7	173.8	0	0	0	0	108.3	S214 L218 I219 A222 V229 A318 E320	V207-S214 VanDerWaalsContact O-CA 3.31Å; V207-S214 WeakPolarHBondContact O-CA 3.35Å; V207-S214 VanDerWaalsContact O-CB 3.28Å; V207-S214 WeakPolarHBondContact O-CB 3.38Å; V207-S214 PolarHBondContact O-N 2.85Å; V207-L218 HydrophobicContact CG1-CB 3.75Å; V207-I219 HydrophobicContact CG1-CG1 4.18Å; V207-A222 HydrophobicContact CG1-CB 4.34Å; V207-A222 HydrophobicContact CG2-CB 4.16Å; V207-V229 HydrophobicContact CG2-CG1 4.36Å; V207-A318 HydrophobicContact CB-CB 3.83Å; V207-A318 HydrophobicContact CG2-CB 3.78Å; V207-A318 PolarHBondContact N-O 2.87Å; V207-E320 HydrophobicContact CG2-CB 4.45Å; V207-E320 HydrophobicContact CG2-CG 4.34Å
208	G	84	Confident	89.3	Confident	37 Å²	37	43.4 Å²	43.4	38%	0.381	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	-2.3	-170.2	0	0	0	0	0	114.8	Y206 A213	Y206-G208 PolarHBondContact O-N 3.19Å; G208-A213 WeakPolarHBondContact O-CB 3.37Å
209	G	80.9	Confident	89.5	Confident	52 Å²	52	39.8 Å²	39.8	54%	0.536	20%	0.202	S	C	.	.	S	Bend	trans	95	-17.6	168.5	0	0	0	0	0	115.7	Y206	Y206-G209 WeakPolarHBondContact O-CA 3.49Å; Y206-G209 PolarHBondContact O-N 3Å
210	Y	80.4	Confident	89.6	Confident	147 Å²	147	38.8 Å²	38.8	58%	0.576	20%	0.199	S	C	*	.	S	Bend	trans	-150.6	165.3	175.5	63.4	-88.8	0	0	0	112	Y206 G212 A213	Y206-Y210 WeakPolarHBondContact CB-O 3.39Å; Y210-G212 PolarHBondContact O-N 3.45Å; Y210-A213 HydrophobicContact CD1-CB 3.61Å; Y210-A213 HydrophobicContact CD2-CB 3.81Å; Y210-A213 HydrophobicContact CE1-CB 3.44Å; Y210-A213 VanDerWaalsContact CE1-CB 3.44Å; Y210-A213 HydrophobicContact CE2-CB 3.64Å; Y210-A213 HydrophobicContact CG-CB 3.78Å; Y210-A213 VanDerWaalsContact CZ-CB 3.45Å; Y210-A213 WeakPolarHBondContact O-CB 2.99Å; Y210-A213 PolarHBondContact O-N 3.21Å; Y210-A213 VanDerWaalsContact O-N 3.09Å
211	Y	80.4	Confident	89.3	Confident	117 Å²	117	35 Å²	35	46%	0.459	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	122.6	179.7	-177	-85.1	0	0	0	111.2	Y206 L317	Y206-Y211 AromaticContact CE1-CD2 3.89Å; Y206-Y211 HydrophobicContact CE1-CD2 3.89Å; Y206-Y211 HydrophobicContact CE2-CD2 4.23Å; Y206-Y211 AromaticContact CZ-CD2 3.69Å; Y211-L317 HydrophobicContact CD1-CD2 4.04Å; Y211-L317 HydrophobicContact CD2-CD2 3.55Å; Y211-L317 HydrophobicContact CE1-CD2 3.89Å; Y211-L317 HydrophobicContact CE2-CD1 3.76Å; Y211-L317 HydrophobicContact CE2-CD2 3.38Å; Y211-L317 HydrophobicContact CE2-CG 4.23Å; Y211-L317 HydrophobicContact CG-CD2 3.89Å; Y211-L317 WeakPolarHBondContact OH-CD1 3.41Å
212	G	77.4	Confident	89.2	Confident	17 Å²	17	35.3 Å²	35.3	18%	0.175	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	3	-178.4	0	0	0	0	0	115.4	P74 Y210	P74-G212 VanDerWaalsContact CD-O 3.24Å; P74-G212 WeakPolarHBondContact CD-O 3.15Å; Y210-G212 PolarHBondContact O-N 3.45Å
213	A	84	Confident	89.3	Confident	6 Å²	6	34.7 Å²	34.7	5%	0.05	18%	0.183	C	C	.	.			trans	-81.5	-15.4	178	0	0	0	0	0	114.3	P74 G208 Y210	P74-A213 WeakPolarHBondContact CG-O 3.23Å; G208-A213 WeakPolarHBondContact O-CB 3.37Å; Y210-A213 HydrophobicContact CD1-CB 3.61Å; Y210-A213 HydrophobicContact CD2-CB 3.81Å; Y210-A213 HydrophobicContact CE1-CB 3.44Å; Y210-A213 VanDerWaalsContact CE1-CB 3.44Å; Y210-A213 HydrophobicContact CE2-CB 3.64Å; Y210-A213 HydrophobicContact CG-CB 3.78Å; Y210-A213 VanDerWaalsContact CZ-CB 3.45Å; Y210-A213 WeakPolarHBondContact O-CB 2.99Å; Y210-A213 PolarHBondContact O-N 3.21Å; Y210-A213 VanDerWaalsContact O-N 3.09Å
214	S	89.3	Confident	89.3	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.007	18%	0.183	C	C	.	.			trans	-69	154.5	-174.8	60.5	0	0	0	0	112	P73 V207 E315 S316 L317 A318	P73-S214 WeakPolarHBondContact CB-O 3.41Å; V207-S214 VanDerWaalsContact O-CA 3.31Å; V207-S214 WeakPolarHBondContact O-CA 3.35Å; V207-S214 VanDerWaalsContact O-CB 3.28Å; V207-S214 WeakPolarHBondContact O-CB 3.38Å; V207-S214 PolarHBondContact O-N 2.85Å; S214-E315 CarbonylContact C-O 3.13Å; S214-E315 VanDerWaalsContact C-O 3.28Å; S214-E315 VanDerWaalsContact O-O 3.1Å; S214-E315 PolarHBondContact OG-O 3.29Å; S214-S316 PolarHBondContact OG-O 2.97Å; S214-S316 VanDerWaalsContact OG-O 3.08Å; S214-L317 PolarHBondContact OG-N 2.85Å; S214-A318 PolarHBondContact OG-N 3.02Å
215	N	91.1	Very high	88.9	Confident	9 Å²	9	34.5 Å²	34.5	5%	0.048	18%	0.182	C	C	.	.			trans	-155	178.4	172.7	59.6	41.2	0	0	0	110.1	P73 P74 S76 D217 L218 I219	P73-N215 HydrophobicContact CB-CB 3.95Å; P74-N215 WeakPolarHBondContact O-CB 3.13Å; P74-N215 PolarHBondContact O-ND2 3.2Å; P74-N215 VanDerWaalsContact O-ND2 3.09Å; S76-N215 PolarHBondContact OG-ND2 2.88Å; S76-N215 PolarHBondContact OG-OD1 2.79Å; S76-N215 VanDerWaalsContact OG-OD1 3.11Å; N215-D217 VanDerWaalsContact C-N 3.34Å; N215-D217 PolarHBondContact O-N 2.7Å; N215-D217 PolarHBondContact OD1-N 3.09Å; N215-L218 PolarHBondContact O-N 2.96Å; N215-L218 WeakPolarHBondContact OD1-CB 3.44Å; N215-L218 VanDerWaalsContact OD1-CG 3.3Å; N215-L218 WeakPolarHBondContact OD1-CG 3.41Å; N215-L218 PolarHBondContact OD1-N 3.35Å; N215-I219 VanDerWaalsContact O-CG1 3.29Å; N215-I219 WeakPolarHBondContact O-CG1 3.41Å; N215-I219 PolarHBondContact O-N 3.04Å
216	E	95	Very high	88.8	Confident	26 Å²	26	32.1 Å²	32.1	12%	0.121	17%	0.172	C	C	.	.	H	α-helix	trans	-49.7	-51.1	-178.1	-178.5	-173.3	178.6	0	0	113	K220 K285 W287 R307 G308	E216-K220 WeakPolarHBondContact O-CB 3.38Å; E216-K220 PolarHBondContact O-N 3.21Å; E216-K285 WeakPolarHBondContact OE1-CE 3.42Å; E216-K285 IonicContact OE1-NZ 2.91Å; E216-K285 PolarHBondContact OE1-NZ 3.38Å; E216-K285 IonicContact OE2-NZ 2.76Å; E216-K285 PolarHBondContact OE2-NZ 2.94Å; E216-W287 HydrophobicContact CB-CZ2 4.48Å; E216-W287 HydrophobicContact CG-CZ2 3.93Å; E216-W287 WeakPolarHBondContact O-CH2 3.15Å; E216-R307 HydrophobicContact CG-CG 3.78Å; E216-R307 WeakPolarHBondContact OE1-CG 3.04Å; E216-R307 IonicContact OE1-CZ 3.92Å; E216-R307 IonicContact OE1-NH1 2.92Å; E216-R307 PolarHBondContact OE1-NH1 3.41Å; E216-G308 VanDerWaalsContact CD-CA 3.48Å; E216-G308 WeakPolarHBondContact OE2-CA 3.34Å
217	D	93.3	Very high	88.9	Confident	21 Å²	21	29.8 Å²	29.8	11%	0.112	16%	0.162	C	C	.	.	H	α-helix	trans	-73.5	-38.4	-171.3	-62.3	-55.2	0	0	0	111.9	S76 T80 K81 A84 N215 K220 L221	S76-D217 WeakPolarHBondContact CB-OD2 2.87Å; S76-D217 WeakPolarHBondContact OG-CB 3.41Å; S76-D217 PolarHBondContact OG-OD2 3.18Å; T80-D217 HydrophobicContact CG2-CB 3.7Å; K81-D217 VanDerWaalsContact CG-OD2 3.24Å; K81-D217 WeakPolarHBondContact CG-OD2 3.14Å; A84-D217 HydrophobicContact CB-CB 3.66Å; A84-D217 WeakPolarHBondContact CB-OD1 3.43Å; N215-D217 VanDerWaalsContact C-N 3.34Å; N215-D217 PolarHBondContact O-N 2.7Å; N215-D217 PolarHBondContact OD1-N 3.09Å; D217-K220 WeakPolarHBondContact O-CB 3.42Å; D217-K220 PolarHBondContact O-N 2.84Å; D217-L221 WeakPolarHBondContact O-CG 3.3Å; D217-L221 PolarHBondContact O-N 3.15Å
218	L	92.3	Very high	89.4	Confident	44 Å²	44	29.6 Å²	29.6	23%	0.23	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-41.6	176.1	-69.2	172.1	0	0	0	111.7	T80 V207 N215 K220 L221 A222	T80-L218 HydrophobicContact CG2-CD2 3.96Å; T80-L218 HydrophobicContact CG2-CG 4.25Å; V207-L218 HydrophobicContact CG1-CB 3.75Å; N215-L218 PolarHBondContact O-N 2.96Å; N215-L218 WeakPolarHBondContact OD1-CB 3.44Å; N215-L218 VanDerWaalsContact OD1-CG 3.3Å; N215-L218 WeakPolarHBondContact OD1-CG 3.41Å; N215-L218 PolarHBondContact OD1-N 3.35Å; L218-K220 VanDerWaalsContact C-N 3.33Å; L218-L221 PolarHBondContact O-N 2.96Å; L218-A222 WeakPolarHBondContact O-CB 3.45Å; L218-A222 PolarHBondContact O-N 2.66Å
219	I	96.2	Very high	90	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-64	-41.9	174.3	-66.2	169	0	0	0	109.9	V207 N215 L221 A222 V223 V229 W287 E315 A318	V207-I219 HydrophobicContact CG1-CG1 4.18Å; N215-I219 VanDerWaalsContact O-CG1 3.29Å; N215-I219 WeakPolarHBondContact O-CG1 3.41Å; N215-I219 PolarHBondContact O-N 3.04Å; I219-L221 VanDerWaalsContact C-N 3.33Å; I219-L221 PolarHBondContact O-N 2.86Å; I219-A222 PolarHBondContact O-N 2.7Å; I219-V223 HydrophobicContact CG2-CG2 4.15Å; I219-V223 WeakPolarHBondContact O-CB 3.46Å; I219-V223 VanDerWaalsContact O-CG2 3.24Å; I219-V223 WeakPolarHBondContact O-CG2 3.05Å; I219-V223 PolarHBondContact O-N 3.24Å; I219-V229 HydrophobicContact CG2-CG2 4.1Å; I219-W287 HydrophobicContact CB-CH2 3.9Å; I219-W287 HydrophobicContact CB-CZ2 4.11Å; I219-W287 HydrophobicContact CG2-CE3 4.39Å; I219-W287 HydrophobicContact CG2-CH2 3.61Å; I219-W287 HydrophobicContact CG2-CZ2 3.95Å; I219-W287 HydrophobicContact CG2-CZ3 3.85Å; I219-E315 HydrophobicContact CD1-CB 4.17Å; I219-E315 HydrophobicContact CD1-CG 4.43Å; I219-A318 HydrophobicContact CD1-CB 3.74Å; I219-A318 HydrophobicContact CG1-CB 3.63Å
220	K	95.6	Very high	90.8	Very high	14 Å²	14	25.5 Å²	25.5	6%	0.061	12%	0.118	C	C	.	.	H	α-helix	trans	-58.5	-45.7	177	-164.6	-170.7	178.9	-169.7	0	111.2	A84 L87 P88 E216 D217 L218 Y224 Y278 W287	A84-K220 HydrophobicContact CB-CD 4.25Å; A84-K220 PolarHBondContact O-NZ 2.82Å; L87-K220 HydrophobicContact CD1-CD 4.32Å; L87-K220 HydrophobicContact CD1-CG 4.16Å; P88-K220 WeakPolarHBondContact O-CE 3.21Å; P88-K220 PolarHBondContact O-NZ 2.82Å; E216-K220 WeakPolarHBondContact O-CB 3.38Å; E216-K220 PolarHBondContact O-N 3.21Å; D217-K220 WeakPolarHBondContact O-CB 3.42Å; D217-K220 PolarHBondContact O-N 2.84Å; L218-K220 VanDerWaalsContact C-N 3.33Å; K220-Y224 WeakPolarHBondContact O-CB 2.92Å; K220-Y224 PolarHBondContact O-N 3.32Å; K220-Y278 HydrophobicContact CB-CE1 4.43Å; K220-Y278 HydrophobicContact CD-CE1 4.45Å; K220-Y278 HydrophobicContact CD-CE2 4.29Å; K220-Y278 HydrophobicContact CG-CD1 3.82Å; K220-Y278 HydrophobicContact CG-CD2 4.38Å; K220-Y278 HydrophobicContact CG-CE1 3.41Å; K220-Y278 VanDerWaalsContact CG-CE1 3.41Å; K220-Y278 HydrophobicContact CG-CE2 4.08Å; K220-Y278 HydrophobicContact CG-CG 4.28Å; K220-W287 HydrophobicContact CB-CH2 4.01Å
221	L	89.8	Confident	91.5	Very high	18 Å²	18	18.6 Å²	18.6	9%	0.094	9%	0.092	C	C	.	.	H	α-helix	trans	-63.5	-49	177.6	-73.4	163	0	0	0	111.9	T80 I83 A84 L87 D217 L218 I219 V223 Y224 H225	T80-L221 HydrophobicContact CG2-CD1 3.87Å; I83-L221 HydrophobicContact CG2-CD2 3.64Å; A84-L221 HydrophobicContact CB-CG 4.5Å; L87-L221 HydrophobicContact CD1-CD2 3.79Å; L87-L221 HydrophobicContact CD1-CG 4.33Å; L87-L221 HydrophobicContact CG-CD2 4.32Å; D217-L221 WeakPolarHBondContact O-CG 3.3Å; D217-L221 PolarHBondContact O-N 3.15Å; L218-L221 PolarHBondContact O-N 2.96Å; I219-L221 VanDerWaalsContact C-N 3.33Å; I219-L221 PolarHBondContact O-N 2.86Å; L221-V223 PolarHBondContact O-N 2.74Å; L221-Y224 PolarHBondContact O-N 2.88Å; L221-H225 PolarHBondContact O-CD2 3.05Å; L221-H225 PolarHBondContact O-N 2.78Å
222	A	92.2	Very high	91.8	Very high	7 Å²	7	13.6 Å²	13.6	6%	0.058	8%	0.075	C	C	.	.	H	α-helix	trans	-60.3	-46.2	178.7	0	0	0	0	0	111.4	V207 L218 I219 Y224 N226 G227 V229	V207-A222 HydrophobicContact CG1-CB 4.34Å; V207-A222 HydrophobicContact CG2-CB 4.16Å; L218-A222 WeakPolarHBondContact O-CB 3.45Å; L218-A222 PolarHBondContact O-N 2.66Å; I219-A222 PolarHBondContact O-N 2.7Å; A222-Y224 PolarHBondContact O-N 2.99Å; A222-N226 WeakPolarHBondContact O-CA 3.46Å; A222-N226 WeakPolarHBondContact O-CB 3.37Å; A222-N226 PolarHBondContact O-N 3.32Å; A222-G227 PolarHBondContact O-N 2.84Å; A222-V229 HydrophobicContact CB-CG1 4.02Å
223	V	96.5	Very high	92.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.6	-44.6	177.6	171.6	0	0	0	0	111.2	F91 W93 I219 L221 G227 V229 V275 Y278	F91-V223 HydrophobicContact CD1-CG1 4.44Å; W93-V223 PolarHBondContact NE1-O 3.16Å; I219-V223 HydrophobicContact CG2-CG2 4.15Å; I219-V223 WeakPolarHBondContact O-CB 3.46Å; I219-V223 VanDerWaalsContact O-CG2 3.24Å; I219-V223 WeakPolarHBondContact O-CG2 3.05Å; I219-V223 PolarHBondContact O-N 3.24Å; L221-V223 PolarHBondContact O-N 2.74Å; V223-G227 WeakPolarHBondContact CA-O 3.32Å; V223-G227 PolarHBondContact O-N 2.93Å; V223-V229 HydrophobicContact CG2-CG1 4.34Å; V223-V229 HydrophobicContact CG2-CG2 3.81Å; V223-V275 HydrophobicContact CG2-CB 4.42Å; V223-V275 HydrophobicContact CG2-CG1 3.9Å; V223-Y278 HydrophobicContact CG1-CD1 4.3Å; V223-Y278 HydrophobicContact CG1-CE1 4.38Å
224	Y	92	Very high	92.2	Very high	42 Å²	42	14.1 Å²	14.1	17%	0.165	7%	0.072	C	C	.	.	H	α-helix	trans	-70	-46.9	-177.3	-179.1	-98	0	0	0	113.2	L87 P88 F91 K220 L221 A222	L87-Y224 HydrophobicContact CD1-CD1 4.14Å; L87-Y224 HydrophobicContact CD1-CG 4.01Å; L87-Y224 HydrophobicContact CD2-CD1 3.46Å; L87-Y224 VanDerWaalsContact CD2-CD1 3.46Å; L87-Y224 HydrophobicContact CD2-CE1 3.6Å; L87-Y224 HydrophobicContact CD2-CG 4.03Å; L87-Y224 HydrophobicContact CG-CD1 4.36Å; P88-Y224 HydrophobicContact CG-CE2 3.8Å; F91-Y224 HydrophobicContact CB-CD2 4.43Å; F91-Y224 AromaticContact CD1-CD2 3.98Å; F91-Y224 HydrophobicContact CD1-CD2 3.98Å; F91-Y224 AromaticContact CD2-CD2 3.74Å; F91-Y224 HydrophobicContact CD2-CD2 3.74Å; F91-Y224 AromaticContact CD2-CE2 3.88Å; F91-Y224 HydrophobicContact CD2-CE2 3.88Å; F91-Y224 HydrophobicContact CE1-CD2 4.07Å; F91-Y224 AromaticContact CE2-CD2 3.88Å; F91-Y224 HydrophobicContact CE2-CD2 3.88Å; F91-Y224 AromaticContact CE2-CE2 3.94Å; F91-Y224 HydrophobicContact CE2-CE2 3.94Å; F91-Y224 AromaticContact CG-CD2 3.79Å; F91-Y224 HydrophobicContact CG-CD2 3.79Å; F91-Y224 HydrophobicContact CG-CE2 4.38Å; F91-Y224 HydrophobicContact CZ-CD2 4.04Å; F91-Y224 HydrophobicContact CZ-CE2 4.46Å; K220-Y224 WeakPolarHBondContact O-CB 2.92Å; K220-Y224 PolarHBondContact O-N 3.32Å; L221-Y224 PolarHBondContact O-N 2.88Å; A222-Y224 PolarHBondContact O-N 2.99Å
225	H	85	Confident	91.8	Very high	40 Å²	40	14.3 Å²	14.3	19%	0.185	7%	0.074	C	C	.	.	H	α-helix	trans	-86.3	-36.7	-174.3	-70.2	-72	0	0	0	113.7	L221 D358 F397	L221-H225 PolarHBondContact O-CD2 3.05Å; L221-H225 PolarHBondContact O-N 2.78Å; H225-D358 IonicContact CE1-OD1 2.87Å; H225-D358 PolarHBondContact CE1-OD1 2.94Å; H225-D358 IonicContact ND1-OD1 3.78Å; H225-D358 PolarHBondContact ND1-OD1 2.97Å; H225-F397 HydrophobicContact CB-CB 3.76Å; H225-F397 HydrophobicContact CB-CG 4.24Å
226	N	88.6	Confident	91.2	Very high	23 Å²	23	15.7 Å²	15.7	12%	0.123	8%	0.078	C	C	.	.	H	α-helix	trans	-111.3	-15.3	-169	-61.8	-17.3	0	0	0	113.8	R126 A222 E320	R126-N226 PolarHBondContact NE-O 2.6Å; A222-N226 WeakPolarHBondContact O-CA 3.46Å; A222-N226 WeakPolarHBondContact O-CB 3.37Å; A222-N226 PolarHBondContact O-N 3.32Å; N226-E320 PolarHBondContact ND2-OE2 3.38Å; N226-E320 VanDerWaalsContact ND2-OE2 3.07Å
227	G	94.3	Very high	90.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.			trans	104.8	-178.7	-177.3	0	0	0	0	0	114	R126 A222 V223	R126-G227 PolarHBondContact NH2-O 3.31Å; A222-G227 PolarHBondContact O-N 2.84Å; V223-G227 WeakPolarHBondContact CA-O 3.32Å; V223-G227 PolarHBondContact O-N 2.93Å
228	P	98.3	Very high	90.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.			trans	-50.3	149.7	-177.2	-30	37.4	0	0	0	114.4	W93 R126 T274 V275 V276	W93-P228 HydrophobicContact CB-CG 4.42Å; W93-P228 HydrophobicContact CG-CG 4.23Å; R126-P228 PolarHBondContact NE-O 2.86Å; R126-P228 PolarHBondContact NH2-O 3.01Å; P228-T274 HydrophobicContact CB-CG2 3.78Å; P228-V275 VanDerWaalsContact CA-O 3.23Å; P228-V275 WeakPolarHBondContact CA-O 3.09Å; P228-V275 WeakPolarHBondContact CB-O 3.18Å; P228-V276 HydrophobicContact CB-CG1 4.09Å; P228-V276 HydrophobicContact CG-CB 4.33Å; P228-V276 HydrophobicContact CG-CG1 4.14Å
229	V	98	Very high	90.1	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.1	179.7	-60.1	0	0	0	0	110.8	V207 I219 A222 V223 V231 T274 V275 F319 E320	V207-V229 HydrophobicContact CG2-CG1 4.36Å; I219-V229 HydrophobicContact CG2-CG2 4.1Å; A222-V229 HydrophobicContact CB-CG1 4.02Å; V223-V229 HydrophobicContact CG2-CG1 4.34Å; V223-V229 HydrophobicContact CG2-CG2 3.81Å; V229-V231 HydrophobicContact CG2-CG1 4.11Å; V229-T274 CarbonylContact O-C 3.59Å; V229-T274 WeakPolarHBondContact O-CA 3.42Å; V229-T274 WeakPolarHBondContact O-CG2 3.36Å; V229-V275 HydrophobicContact CG2-CB 4.05Å; V229-V275 PolarHBondContact N-O 3.21Å; V229-V275 VanDerWaalsContact N-O 3.12Å; V229-V275 PolarHBondContact O-N 2.92Å; V229-F319 WeakPolarHBondContact CB-O 3.46Å; V229-E320 HydrophobicContact CG1-CB 4.03Å
230	A	97.4	Very high	89.8	Confident	2 Å²	2	12.2 Å²	12.2	2%	0.017	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	136.5	173.8	0	0	0	0	0	108.9	A118 V122 P159 V273 A318 F319	A118-A230 HydrophobicContact CB-CB 4.2Å; V122-A230 HydrophobicContact CG2-CB 3.91Å; V122-A230 VanDerWaalsContact CG2-N 3.32Å; P159-A230 HydrophobicContact CB-CB 3.79Å; P159-A230 HydrophobicContact CG-CB 4.12Å; A230-V273 CarbonylContact C-O 3.1Å; A230-V273 WeakPolarHBondContact CA-O 3.11Å; A230-A318 CarbonylContact O-C 3.37Å; A230-A318 WeakPolarHBondContact O-CA 3.48Å; A230-F319 HydrophobicContact CB-CD1 4.43Å; A230-F319 PolarHBondContact N-O 3.29Å; A230-F319 PolarHBondContact O-N 3.09Å
231	V	94.1	Very high	89.6	Confident	3 Å²	3	11.9 Å²	11.9	2%	0.018	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152.4	178.7	-57.4	0	0	0	0	110.6	V229 I233 A272 V273 V275 I314 L317 A318	V229-V231 HydrophobicContact CG2-CG1 4.11Å; V231-I233 HydrophobicContact CG2-CG2 4.48Å; V231-A272 WeakPolarHBondContact O-CA 3.13Å; V231-V273 HydrophobicContact CG2-CG2 3.53Å; V231-V273 PolarHBondContact N-O 2.9Å; V231-V273 PolarHBondContact O-N 2.97Å; V231-V275 HydrophobicContact CB-CG2 4.33Å; V231-V275 HydrophobicContact CG1-CB 4.5Å; V231-V275 HydrophobicContact CG1-CG2 3.65Å; V231-V275 HydrophobicContact CG2-CG2 3.66Å; V231-I314 HydrophobicContact CB-CG1 4.23Å; V231-I314 HydrophobicContact CG2-CD1 4.21Å; V231-I314 HydrophobicContact CG2-CG1 3.63Å; V231-L317 VanDerWaalsContact CA-O 3.28Å; V231-L317 WeakPolarHBondContact CA-O 3.42Å; V231-A318 HydrophobicContact CG1-CB 3.8Å
232	G	88.5	Confident	89.9	Confident	11 Å²	11	11 Å²	11	11%	0.113	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	140.5	167.8	0	0	0	0	0	111.2	V269 H271 I314 L317	G232-V269 WeakPolarHBondContact O-CG1 3.33Å; G232-H271 CarbonylContact C-O 3.1Å; G232-H271 WeakPolarHBondContact CA-O 3.37Å; G232-I314 WeakPolarHBondContact O-CA 3.46Å; G232-L317 PolarHBondContact N-O 3.35Å; G232-L317 VanDerWaalsContact N-O 3.16Å
233	I	87.1	Confident	90.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157	167.8	66.4	173.9	0	0	0	110.3	V231 V235 F239 V269 D270 H271 V273 I305 C312 I314	V231-I233 HydrophobicContact CG2-CG2 4.48Å; I233-V235 HydrophobicContact CD1-CG2 4.38Å; I233-V235 HydrophobicContact CG1-CG2 4.37Å; I233-F239 HydrophobicContact CD1-CE1 4.3Å; I233-F239 HydrophobicContact CD1-CE2 4.15Å; I233-F239 HydrophobicContact CD1-CZ 3.77Å; I233-V269 CarbonylContact O-C 3.48Å; I233-V269 WeakPolarHBondContact O-CA 3.33Å; I233-D270 PolarHBondContact O-N 2.91Å; I233-H271 HydrophobicContact CG1-CB 3.95Å; I233-H271 PolarHBondContact N-O 2.97Å; I233-H271 PolarHBondContact O-N 2.62Å; I233-V273 HydrophobicContact CD1-CG1 4.05Å; I233-V273 HydrophobicContact CD1-CG2 4.12Å; I233-V273 HydrophobicContact CG1-CG1 4.4Å; I233-V273 HydrophobicContact CG1-CG2 4.21Å; I233-V273 HydrophobicContact CG2-CG2 3.91Å; I233-I305 HydrophobicContact CD1-CD1 4.19Å; I233-I305 HydrophobicContact CG2-CD1 4.46Å; I233-C312 CarbonylContact C-O 3.05Å; I233-C312 VanDerWaalsContact CA-O 3.29Å; I233-C312 WeakPolarHBondContact CA-O 3.29Å; I233-C312 HydrophobicContact CB-CB 4.28Å; I233-I314 HydrophobicContact CG2-CB 3.75Å; I233-I314 HydrophobicContact CG2-CD1 4.08Å; I233-I314 HydrophobicContact CG2-CG1 3.66Å
234	Q	81.5	Confident	90.2	Very high	34 Å²	34	19.2 Å²	19.2	16%	0.159	9%	0.092	C	C	.	.			trans	-88	133.7	161.5	-165.6	170.7	24.2	0	0	110.3	W70 Y236 A268 D270 C312	W70-Q234 HydrophobicContact CH2-CB 3.32Å; W70-Q234 HydrophobicContact CH2-CG 4.23Å; W70-Q234 HydrophobicContact CZ2-CB 4.33Å; W70-Q234 VanDerWaalsContact CZ2-OE1 3.29Å; W70-Q234 HydrophobicContact CZ3-CB 3.91Å; Q234-Y236 HydrophobicContact CB-CE2 4.35Å; Q234-Y236 HydrophobicContact CG-CE1 4.41Å; Q234-Y236 VanDerWaalsContact OE1-CZ 3.24Å; Q234-Y236 PolarHBondContact OE1-OH 2.93Å; Q234-A268 WeakPolarHBondContact CB-O 3.41Å; Q234-D270 VanDerWaalsContact CA-OD1 3.31Å; Q234-D270 WeakPolarHBondContact CA-OD1 3.47Å; Q234-C312 PolarHBondContact N-O 3.2Å
235	V	80.5	Confident	90.5	Very high	6 Å²	6	18 Å²	18	4%	0.036	9%	0.092	C	C	.	.			trans	-95.6	114.8	175.9	174.7	0	0	0	0	110.4	A50 I233 F239 Y240 D270 H271 W293	A50-V235 HydrophobicContact CB-CB 3.78Å; A50-V235 HydrophobicContact CB-CG1 3.88Å; A50-V235 HydrophobicContact CB-CG2 3.89Å; I233-V235 HydrophobicContact CD1-CG2 4.38Å; I233-V235 HydrophobicContact CG1-CG2 4.37Å; V235-F239 HydrophobicContact CG1-CB 4.18Å; V235-F239 HydrophobicContact CG1-CD1 3.91Å; V235-F239 HydrophobicContact CG1-CG 4.4Å; V235-F239 HydrophobicContact CG2-CD1 4.2Å; V235-F239 HydrophobicContact CG2-CE1 4.37Å; V235-Y240 HydrophobicContact CG1-CD2 4.27Å; V235-Y240 HydrophobicContact CG1-CE1 4.38Å; V235-Y240 HydrophobicContact CG1-CE2 3.65Å; V235-D270 PolarHBondContact N-OD1 3.39Å; V235-H271 HydrophobicContact CG2-CB 3.44Å; V235-H271 VanDerWaalsContact CG2-CB 3.44Å; V235-W293 HydrophobicContact CG1-CH2 3.97Å; V235-W293 HydrophobicContact CG2-CH2 4.47Å
236	Y	80.2	Confident	91.1	Very high	38 Å²	38	16.4 Å²	16.4	15%	0.149	9%	0.085	C	C	.	.			trans	-90.3	160	172.5	-64.6	-75	0	0	0	112	W70 Q234 D238 F239 H249 C312	W70-Y236 VanDerWaalsContact CZ2-OH 3.3Å; W70-Y236 WeakPolarHBondContact CZ2-OH 3.12Å; Q234-Y236 HydrophobicContact CB-CE2 4.35Å; Q234-Y236 HydrophobicContact CG-CE1 4.41Å; Q234-Y236 VanDerWaalsContact OE1-CZ 3.24Å; Q234-Y236 PolarHBondContact OE1-OH 2.93Å; Y236-D238 WeakPolarHBondContact CB-OD1 3.44Å; Y236-D238 PolarHBondContact O-N 3Å; Y236-F239 VanDerWaalsContact O-CB 3.23Å; Y236-F239 WeakPolarHBondContact O-CB 3.43Å; Y236-F239 PolarHBondContact O-N 3.24Å; Y236-H249 VanDerWaalsContact CB-ND1 3.31Å; Y236-H249 WeakPolarHBondContact CB-ND1 3.29Å; Y236-H249 AromaticContact CD1-CD2 3.75Å; Y236-H249 AromaticContact CD1-CE1 3.63Å; Y236-H249 AromaticContact CD1-CG 3.92Å; Y236-H249 AromaticContact CD1-ND1 3.84Å; Y236-H249 AromaticContact CD1-NE2 3.59Å; Y236-H249 HydrophobicContact CD2-CB 3.57Å; Y236-H249 AromaticContact CD2-CD2 3.91Å; Y236-H249 AromaticContact CD2-CG 3.41Å; Y236-H249 VanDerWaalsContact CD2-CG 3.41Å; Y236-H249 AromaticContact CD2-ND1 3.72Å; Y236-H249 AromaticContact CE1-CD2 3.79Å; Y236-H249 AromaticContact CE1-NE2 3.88Å; Y236-H249 HydrophobicContact CE2-CB 3.81Å; Y236-H249 AromaticContact CE2-CD2 3.91Å; Y236-H249 AromaticContact CE2-CG 3.77Å; Y236-H249 HydrophobicContact CG-CB 4.15Å; Y236-H249 AromaticContact CG-CD2 3.81Å; Y236-H249 AromaticContact CG-CE1 3.61Å; Y236-H249 AromaticContact CG-CG 3.48Å; Y236-H249 VanDerWaalsContact CG-CG 3.48Å; Y236-H249 AromaticContact CG-ND1 3.34Å; Y236-H249 VanDerWaalsContact CG-ND1 3.34Å; Y236-H249 AromaticContact CG-NE2 3.91Å; Y236-H249 AromaticContact CZ-CD2 3.85Å; Y236-C312 HydrophobicContact CE2-CB 4.37Å
237	P	79.6	Confident	91.6	Very high	12 Å²	12	15.3 Å²	15.3	8%	0.078	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-34	179	-27.8	35.9	0	0	0	114.7	F13 F239 P260	F13-P237 HydrophobicContact CB-CB 3.92Å; F13-P237 HydrophobicContact CD1-CB 4.25Å; F13-P237 HydrophobicContact CD2-CB 4.25Å; F13-P237 HydrophobicContact CD2-CG 4.43Å; F13-P237 HydrophobicContact CG-CB 3.88Å; F13-P237 HydrophobicContact CG-CG 4.5Å; P237-F239 VanDerWaalsContact C-N 3.32Å; P237-F239 PolarHBondContact O-N 3.19Å; P237-P260 HydrophobicContact CG-CG 4.39Å
238	D	86.5	Confident	91.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-24.9	177.6	57.9	1	0	0	0	113.2	Y19 V23 W30 Y236 Y240 A241 Y242 Y247 H249 V250	Y19-D238 HydrophobicContact CE1-CB 4.4Å; Y19-D238 WeakPolarHBondContact OH-CB 3.47Å; Y19-D238 PolarHBondContact OH-N 2.91Å; V23-D238 HydrophobicContact CG2-CB 4.25Å; W30-D238 HydrophobicContact CH2-CB 3.9Å; W30-D238 WeakPolarHBondContact CH2-O 3.3Å; W30-D238 HydrophobicContact CZ2-CB 4.09Å; Y236-D238 WeakPolarHBondContact CB-OD1 3.44Å; Y236-D238 PolarHBondContact O-N 3Å; D238-Y240 VanDerWaalsContact C-N 3.31Å; D238-Y240 PolarHBondContact O-N 2.83Å; D238-A241 WeakPolarHBondContact O-CB 3.38Å; D238-A241 PolarHBondContact O-N 3.28Å; D238-A241 VanDerWaalsContact O-N 3.08Å; D238-Y242 PolarHBondContact O-N 3.12Å; D238-Y247 PolarHBondContact OD1-OH 2.93Å; D238-H249 VanDerWaalsContact CG-ND1 3.34Å; D238-H249 IonicContact OD1-ND1 3.37Å; D238-H249 PolarHBondContact OD1-ND1 3.46Å; D238-H249 VanDerWaalsContact OD1-ND1 3.17Å; D238-H249 WeakPolarHBondContact OD2-CA 3.3Å; D238-H249 IonicContact OD2-CE1 3.82Å; D238-H249 IonicContact OD2-CG 2.66Å; D238-H249 IonicContact OD2-ND1 3.17Å; D238-H249 PolarHBondContact OD2-ND1 3.46Å; D238-V250 PolarHBondContact OD2-N 2.8Å
239	F	90	Very high	91	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-62	-37.9	176.4	-170.6	-100.5	0	0	0	111.9	I233 V235 Y236 P237 A241 Y242 Y247 W293 W297 V303 I305	I233-F239 HydrophobicContact CD1-CE1 4.3Å; I233-F239 HydrophobicContact CD1-CE2 4.15Å; I233-F239 HydrophobicContact CD1-CZ 3.77Å; V235-F239 HydrophobicContact CG1-CB 4.18Å; V235-F239 HydrophobicContact CG1-CD1 3.91Å; V235-F239 HydrophobicContact CG1-CG 4.4Å; V235-F239 HydrophobicContact CG2-CD1 4.2Å; V235-F239 HydrophobicContact CG2-CE1 4.37Å; Y236-F239 VanDerWaalsContact O-CB 3.23Å; Y236-F239 WeakPolarHBondContact O-CB 3.43Å; Y236-F239 PolarHBondContact O-N 3.24Å; P237-F239 VanDerWaalsContact C-N 3.32Å; P237-F239 PolarHBondContact O-N 3.19Å; F239-A241 PolarHBondContact O-N 3.28Å; F239-A241 VanDerWaalsContact O-N 3.13Å; F239-Y242 VanDerWaalsContact O-CB 3.3Å; F239-Y242 WeakPolarHBondContact O-CB 3.42Å; F239-Y242 PolarHBondContact O-N 2.97Å; F239-Y247 HydrophobicContact CB-CE2 4.1Å; F239-Y247 AromaticContact CD2-CD1 3.86Å; F239-Y247 HydrophobicContact CD2-CD1 3.86Å; F239-Y247 HydrophobicContact CD2-CD2 4.2Å; F239-Y247 AromaticContact CD2-CE1 3.58Å; F239-Y247 HydrophobicContact CD2-CE1 3.58Å; F239-Y247 AromaticContact CD2-CE2 3.96Å; F239-Y247 HydrophobicContact CD2-CE2 3.96Å; F239-Y247 HydrophobicContact CD2-CG 4.16Å; F239-Y247 AromaticContact CD2-CZ 3.65Å; F239-Y247 HydrophobicContact CE2-CD1 4.23Å; F239-Y247 HydrophobicContact CE2-CE1 4.31Å; F239-W293 AromaticContact CD1-CH2 3.65Å; F239-W293 HydrophobicContact CD1-CH2 3.65Å; F239-W293 AromaticContact CD1-CZ3 3.74Å; F239-W293 HydrophobicContact CD1-CZ3 3.74Å; F239-W293 AromaticContact CE1-CH2 3.78Å; F239-W293 HydrophobicContact CE1-CH2 3.78Å; F239-W293 AromaticContact CE1-CZ3 3.81Å; F239-W293 HydrophobicContact CE1-CZ3 3.81Å; F239-W297 HydrophobicContact CD1-CH2 4.32Å; F239-W297 AromaticContact CD1-CZ2 3.85Å; F239-W297 HydrophobicContact CD1-CZ2 3.85Å; F239-W297 AromaticContact CE1-CH2 3.58Å; F239-W297 HydrophobicContact CE1-CH2 3.58Å; F239-W297 AromaticContact CE1-CZ2 3.55Å; F239-W297 HydrophobicContact CE1-CZ2 3.55Å; F239-W297 HydrophobicContact CE2-CH2 4.05Å; F239-W297 HydrophobicContact CE2-CZ2 4.32Å; F239-W297 HydrophobicContact CG-CZ2 4.37Å; F239-W297 AromaticContact CZ-CH2 3.44Å; F239-W297 HydrophobicContact CZ-CH2 3.44Å; F239-W297 VanDerWaalsContact CZ-CH2 3.44Å; F239-W297 AromaticContact CZ-CZ2 3.83Å; F239-W297 HydrophobicContact CZ-CZ2 3.83Å; F239-W297 WeakPolarHBondContact O-CZ2 3.27Å; F239-W297 PolarHBondContact O-NE1 2.92Å; F239-V303 HydrophobicContact CE2-CG1 4.09Å; F239-V303 HydrophobicContact CE2-CG2 4.09Å; F239-V303 HydrophobicContact CZ-CG1 4Å; F239-I305 HydrophobicContact CE2-CD1 4.12Å
240	Y	89.2	Confident	90.4	Very high	6 Å²	6	19.1 Å²	19.1	2%	0.024	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-58.7	-27.4	175.6	-65.5	-82.1	0	0	0	112.9	I14 Y35 W38 M46 A50 V235 D238 W293 W297	I14-Y240 HydrophobicContact CD1-CD2 3.94Å; I14-Y240 HydrophobicContact CD1-CG 3.96Å; Y35-Y240 WeakPolarHBondContact CE2-O 3.47Å; W38-Y240 PolarHBondContact NE1-O 2.87Å; M46-Y240 HydrophobicContact CB-CE1 4.05Å; M46-Y240 HydrophobicContact CE-CD1 3.45Å; M46-Y240 VanDerWaalsContact CE-CD1 3.45Å; M46-Y240 HydrophobicContact CE-CE1 3.88Å; M46-Y240 HydrophobicContact CE-CG 3.89Å; M46-Y240 PolarHBondContact O-OH 2.91Å; M46-Y240 VanDerWaalsContact O-OH 3.08Å; A50-Y240 WeakPolarHBondContact CB-OH 3.36Å; V235-Y240 HydrophobicContact CG1-CD2 4.27Å; V235-Y240 HydrophobicContact CG1-CE1 4.38Å; V235-Y240 HydrophobicContact CG1-CE2 3.65Å; D238-Y240 VanDerWaalsContact C-N 3.31Å; D238-Y240 PolarHBondContact O-N 2.83Å; Y240-W293 AromaticContact CD1-CH2 3.82Å; Y240-W293 HydrophobicContact CD1-CH2 3.82Å; Y240-W293 AromaticContact CD1-CZ3 3.88Å; Y240-W293 HydrophobicContact CD1-CZ3 3.88Å; Y240-W293 AromaticContact CE1-CH2 3.72Å; Y240-W293 HydrophobicContact CE1-CH2 3.72Å; Y240-W293 HydrophobicContact CE1-CZ2 4.26Å; Y240-W293 HydrophobicContact CE1-CZ3 4.24Å; Y240-W297 PolarHBondContact O-NE1 2.88Å
241	A	91.9	Very high	89.1	Confident	8 Å²	8	25.6 Å²	25.6	7%	0.066	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-89.9	-5.6	179.3	0	0	0	0	0	113.5	I20 A32 T33 D238 F239 R243	I20-A241 HydrophobicContact CG1-CB 4.31Å; A32-A241 CarbonylContact C-O 3.59Å; A32-A241 VanDerWaalsContact CA-O 3.25Å; A32-A241 WeakPolarHBondContact CA-O 3.38Å; A32-A241 HydrophobicContact CB-CB 4Å; T33-A241 PolarHBondContact N-O 3.13Å; T33-A241 WeakPolarHBondContact O-CA 3.14Å; T33-A241 WeakPolarHBondContact O-CB 2.95Å; D238-A241 WeakPolarHBondContact O-CB 3.38Å; D238-A241 PolarHBondContact O-N 3.28Å; D238-A241 VanDerWaalsContact O-N 3.08Å; F239-A241 PolarHBondContact O-N 3.28Å; F239-A241 VanDerWaalsContact O-N 3.13Å; A241-R243 PolarHBondContact O-N 3.29Å
242	Y	96.3	Very high	87.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	128.7	-178.2	174.4	-94.4	0	0	0	112.2	W30 Y35 D238 F239 G245 Y247 W297 E299 V303 K304	W30-Y242 HydrophobicContact CB-CD2 4.29Å; W30-Y242 HydrophobicContact CB-CE2 4.07Å; W30-Y242 HydrophobicContact CD2-CD2 4.23Å; W30-Y242 AromaticContact CE3-CD2 3.73Å; W30-Y242 HydrophobicContact CE3-CD2 3.73Å; W30-Y242 HydrophobicContact CG-CD2 4.5Å; W30-Y242 HydrophobicContact CZ3-CD2 4.39Å; Y35-Y242 PolarHBondContact OH-O 2.87Å; D238-Y242 PolarHBondContact O-N 3.12Å; F239-Y242 VanDerWaalsContact O-CB 3.3Å; F239-Y242 WeakPolarHBondContact O-CB 3.42Å; F239-Y242 PolarHBondContact O-N 2.97Å; Y242-G245 VanDerWaalsContact CE2-O 3.3Å; Y242-G245 WeakPolarHBondContact CE2-O 3.37Å; Y242-G245 PolarHBondContact OH-N 3.37Å; Y242-G245 PolarHBondContact OH-O 3Å; Y242-Y247 HydrophobicContact CD2-CD2 4.04Å; Y242-Y247 HydrophobicContact CD2-CG 4.31Å; Y242-W297 HydrophobicContact CD1-CH2 4.02Å; Y242-W297 HydrophobicContact CD1-CZ2 4.09Å; Y242-W297 HydrophobicContact CD1-CZ3 4.5Å; Y242-W297 HydrophobicContact CG-CZ2 4.43Å; Y242-E299 HydrophobicContact CE1-CG 4.4Å; Y242-E299 PolarHBondContact OH-OE2 3.45Å; Y242-V303 HydrophobicContact CD1-CB 3.89Å; Y242-V303 HydrophobicContact CD1-CG2 3.74Å; Y242-V303 HydrophobicContact CD2-CG2 4.04Å; Y242-V303 HydrophobicContact CE1-CB 3.6Å; Y242-V303 HydrophobicContact CE1-CG2 3.56Å; Y242-V303 HydrophobicContact CE2-CG2 3.85Å; Y242-V303 HydrophobicContact CG-CG2 3.97Å; Y242-K304 PolarHBondContact OH-N 2.82Å
243	R	97.5	Very high	85.5	Confident	138 Å²	138	31.8 Å²	31.8	52%	0.521	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	-50.9	175.7	-170.9	-176.1	175.8	-166.2	-1.2	113	V31 T33 Y35 A241 G298 E299	V31-R243 HydrophobicContact CB-CB 4.48Å; V31-R243 WeakPolarHBondContact O-CB 3.35Å; V31-R243 PolarHBondContact O-N 2.78Å; T33-R243 HydrophobicContact CG2-CB 3.72Å; T33-R243 HydrophobicContact CG2-CG 3.91Å; Y35-R243 WeakPolarHBondContact OH-CA 3.27Å; A241-R243 PolarHBondContact O-N 3.29Å; R243-G298 CarbonylContact O-C 3.53Å; R243-G298 WeakPolarHBondContact O-CA 3.26Å; R243-E299 PolarHBondContact O-N 2.77Å
244	S	98	Very high	83.6	Confident	40 Å²	40	36.2 Å²	36.2	28%	0.28	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	166.1	-177.3	61.5	0	0	0	0	111.9	W30 V31	W30-S244 CarbonylContact C-O 3.57Å; W30-S244 WeakPolarHBondContact CA-O 3.2Å; W30-S244 VanDerWaalsContact CB-O 3.25Å; W30-S244 WeakPolarHBondContact CB-O 3.29Å; V31-S244 PolarHBondContact N-O 2.76Å
245	G	98	Very high	81.6	Confident	16 Å²	16	41.6 Å²	41.6	17%	0.165	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.2	-167.7	-179.4	0	0	0	0	0	112.8	K29 Y242 K304	K29-G245 CarbonylContact O-C 3.55Å; K29-G245 WeakPolarHBondContact O-CA 3.25Å; Y242-G245 VanDerWaalsContact CE2-O 3.3Å; Y242-G245 WeakPolarHBondContact CE2-O 3.37Å; Y242-G245 PolarHBondContact OH-N 3.37Å; Y242-G245 PolarHBondContact OH-O 3Å; G245-K304 WeakPolarHBondContact O-CB 3.31Å
246	I	98.4	Very high	79.7	Confident	8 Å²	8	45.3 Å²	45.3	4%	0.041	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	102.9	-176	-56.4	172.5	0	0	0	109.4	K29 E281 T284 Y286 K304 L306	K29-I246 PolarHBondContact O-N 3.1Å; I246-E281 HydrophobicContact CD1-CB 4.19Å; I246-T284 HydrophobicContact CD1-CG2 3.62Å; I246-T284 HydrophobicContact CG2-CG2 4.09Å; I246-Y286 HydrophobicContact CD1-CD1 3.69Å; I246-Y286 HydrophobicContact CD1-CE1 4.48Å; I246-Y286 HydrophobicContact CD1-CG 4.33Å; I246-Y286 HydrophobicContact CG1-CD1 4.06Å; I246-Y286 HydrophobicContact CG1-CG 4.3Å; I246-K304 CarbonylContact C-O 3.52Å; I246-K304 HydrophobicContact CG1-CB 4.37Å; I246-K304 HydrophobicContact CG1-CD 4.4Å; I246-L306 HydrophobicContact CG2-CB 4.23Å; I246-L306 HydrophobicContact CG2-CD1 4.3Å
247	Y	97.9	Very high	77.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.5	179.4	178.7	-96.8	0	0	0	111.8	W30 D238 F239 Y242 V303 K304 I305 L306	W30-Y247 HydrophobicContact CD2-CD2 4.02Å; W30-Y247 AromaticContact CE2-CD2 3.75Å; W30-Y247 HydrophobicContact CE3-CD2 4.33Å; W30-Y247 HydrophobicContact CH2-CD2 4.19Å; W30-Y247 HydrophobicContact CH2-CE2 4.07Å; W30-Y247 AromaticContact CZ2-CD2 3.86Å; W30-Y247 HydrophobicContact CZ2-CD2 3.86Å; W30-Y247 AromaticContact CZ2-CE2 3.75Å; W30-Y247 HydrophobicContact CZ2-CE2 3.75Å; W30-Y247 HydrophobicContact CZ3-CD2 4.42Å; D238-Y247 PolarHBondContact OD1-OH 2.93Å; F239-Y247 HydrophobicContact CB-CE2 4.1Å; F239-Y247 AromaticContact CD2-CD1 3.86Å; F239-Y247 HydrophobicContact CD2-CD1 3.86Å; F239-Y247 HydrophobicContact CD2-CD2 4.2Å; F239-Y247 AromaticContact CD2-CE1 3.58Å; F239-Y247 HydrophobicContact CD2-CE1 3.58Å; F239-Y247 AromaticContact CD2-CE2 3.96Å; F239-Y247 HydrophobicContact CD2-CE2 3.96Å; F239-Y247 HydrophobicContact CD2-CG 4.16Å; F239-Y247 AromaticContact CD2-CZ 3.65Å; F239-Y247 HydrophobicContact CE2-CD1 4.23Å; F239-Y247 HydrophobicContact CE2-CE1 4.31Å; Y242-Y247 HydrophobicContact CD2-CD2 4.04Å; Y242-Y247 HydrophobicContact CD2-CG 4.31Å; Y247-V303 HydrophobicContact CG-CG2 4.45Å; Y247-K304 WeakPolarHBondContact CB-O 3.26Å; Y247-K304 PolarHBondContact N-O 3.2Å; Y247-I305 HydrophobicContact CD1-CG1 4.36Å; Y247-L306 PolarHBondContact O-N 2.88Å
248	H	93.7	Very high	76.1	Confident	37 Å²	37	54.8 Å²	54.8	17%	0.171	28%	0.281	C	S	.	.			trans	-145.8	149.5	160.4	67.8	85.4	0	0	0	107.6	W30 L306 E311	W30-H248 PolarHBondContact NE1-O 2.71Å; H248-L306 HydrophobicContact CB-CB 4.28Å; H248-L306 HydrophobicContact CB-CD2 4.1Å; H248-E311 WeakPolarHBondContact CA-OE1 3.45Å; H248-E311 HydrophobicContact CB-CG 4.21Å
249	H	87.8	Confident	74.1	Confident	30 Å²	30	56.2 Å²	56.2	14%	0.139	29%	0.291	C	S	.	.			trans	-68	139.1	-179.4	178.2	47.6	0	0	0	111.6	Y236 D238 E311	Y236-H249 VanDerWaalsContact CB-ND1 3.31Å; Y236-H249 WeakPolarHBondContact CB-ND1 3.29Å; Y236-H249 AromaticContact CD1-CD2 3.75Å; Y236-H249 AromaticContact CD1-CE1 3.63Å; Y236-H249 AromaticContact CD1-CG 3.92Å; Y236-H249 AromaticContact CD1-ND1 3.84Å; Y236-H249 AromaticContact CD1-NE2 3.59Å; Y236-H249 HydrophobicContact CD2-CB 3.57Å; Y236-H249 AromaticContact CD2-CD2 3.91Å; Y236-H249 AromaticContact CD2-CG 3.41Å; Y236-H249 VanDerWaalsContact CD2-CG 3.41Å; Y236-H249 AromaticContact CD2-ND1 3.72Å; Y236-H249 AromaticContact CE1-CD2 3.79Å; Y236-H249 AromaticContact CE1-NE2 3.88Å; Y236-H249 HydrophobicContact CE2-CB 3.81Å; Y236-H249 AromaticContact CE2-CD2 3.91Å; Y236-H249 AromaticContact CE2-CG 3.77Å; Y236-H249 HydrophobicContact CG-CB 4.15Å; Y236-H249 AromaticContact CG-CD2 3.81Å; Y236-H249 AromaticContact CG-CE1 3.61Å; Y236-H249 AromaticContact CG-CG 3.48Å; Y236-H249 VanDerWaalsContact CG-CG 3.48Å; Y236-H249 AromaticContact CG-ND1 3.34Å; Y236-H249 VanDerWaalsContact CG-ND1 3.34Å; Y236-H249 AromaticContact CG-NE2 3.91Å; Y236-H249 AromaticContact CZ-CD2 3.85Å; D238-H249 VanDerWaalsContact CG-ND1 3.34Å; D238-H249 IonicContact OD1-ND1 3.37Å; D238-H249 PolarHBondContact OD1-ND1 3.46Å; D238-H249 VanDerWaalsContact OD1-ND1 3.17Å; D238-H249 WeakPolarHBondContact OD2-CA 3.3Å; D238-H249 IonicContact OD2-CE1 3.82Å; D238-H249 IonicContact OD2-CG 2.66Å; D238-H249 IonicContact OD2-ND1 3.17Å; D238-H249 PolarHBondContact OD2-ND1 3.46Å; H249-E311 PolarHBondContact N-OE1 2.74Å
250	V	84.7	Confident	71.8	Confident	13 Å²	13	56.9 Å²	56.9	8%	0.079	30%	0.296	C	S	.	.			trans	-104.7	96.9	178.5	-175.2	0	0	0	0	109.7	V23 A26 Q27 W30 D238 D252 A253	V23-V250 HydrophobicContact CG1-CG2 4.2Å; A26-V250 HydrophobicContact CB-CG1 3.74Å; Q27-V250 HydrophobicContact CB-CG2 4.49Å; Q27-V250 HydrophobicContact CG-CG2 3.61Å; W30-V250 HydrophobicContact CZ2-CG2 4.23Å; D238-V250 PolarHBondContact OD2-N 2.8Å; V250-D252 VanDerWaalsContact C-N 3.3Å; V250-D252 PolarHBondContact O-N 3.04Å; V250-A253 HydrophobicContact CB-CB 4.44Å; V250-A253 HydrophobicContact CG1-CB 4.02Å
251	K	69.1	Low	69.8	Low	138 Å²	138	57.4 Å²	57.4	60%	0.6	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-59.6	-37	-177.4	-63.3	-178.4	-179.7	179.8	0	113.7
252	D	56.3	Low	67.4	Low	132 Å²	132	59.8 Å²	59.8	71%	0.706	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-93.7	5.6	-168.5	-61.9	-35	0	0	0	114.2	V250 M254	V250-D252 VanDerWaalsContact C-N 3.3Å; V250-D252 PolarHBondContact O-N 3.04Å; D252-M254 PolarHBondContact O-N 3.14Å; D252-M254 VanDerWaalsContact O-N 3.17Å
253	A	51.7	Low	65	Low	12 Å²	12	63.2 Å²	63.2	10%	0.099	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-64.5	-23.1	-177.6	0	0	0	0	0	112.7	Y19 V23 V250	Y19-A253 HydrophobicContact CD2-CB 4.25Å; Y19-A253 HydrophobicContact CE2-CB 3.59Å; V23-A253 HydrophobicContact CG2-CB 3.69Å; V250-A253 HydrophobicContact CB-CB 4.44Å; V250-A253 HydrophobicContact CG1-CB 4.02Å
254	M	46.3	Very low	62.2	Low	93 Å²	93	58 Å²	58	46%	0.458	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-167.3	31.6	173.7	-109.6	172.2	-161	0	0	116.1	F13 Y19 D252	F13-M254 HydrophobicContact CE1-CB 4.06Å; F13-M254 HydrophobicContact CE1-SD 4.14Å; Y19-M254 HydrophobicContact CD2-SD 4.04Å; D252-M254 PolarHBondContact O-N 3.14Å; D252-M254 VanDerWaalsContact O-N 3.17Å
255	N	40.3	Very low	59.3	Low	147 Å²	147	57 Å²	57	79%	0.786	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	41.1	174.8	-90.2	-9.6	0	0	0	116.6
256	F	40.9	Very low	56.4	Low	83 Å²	83	61.5 Å²	61.5	36%	0.364	33%	0.326	S	S	.	.			trans	-110.8	99.6	169.2	-94.6	-87.3	0	0	0	111.1	L9 F13 T258 P260	L9-F256 HydrophobicContact CD2-CZ 4.29Å; F13-F256 AromaticContact CZ-CD2 3.99Å; F13-F256 HydrophobicContact CZ-CD2 3.99Å; F13-F256 HydrophobicContact CZ-CE2 4.19Å; F256-T258 VanDerWaalsContact C-N 3.28Å; F256-P260 HydrophobicContact CD1-CB 3.62Å; F256-P260 HydrophobicContact CD1-CG 4.5Å; F256-P260 HydrophobicContact CE1-CB 3.44Å; F256-P260 VanDerWaalsContact CE1-CB 3.44Å; F256-P260 HydrophobicContact CG-CB 4.33Å; F256-P260 HydrophobicContact CZ-CB 4.01Å
257	N	41	Very low	53.8	Low	151 Å²	151	64 Å²	64	81%	0.807	34%	0.342	S	S	*	.	S	Bend	trans	-81.9	-6.7	173.1	-92.3	-17.1	0	0	0	113.5
258	T	42.5	Very low	51.6	Low	98 Å²	98	65.1 Å²	65.1	60%	0.601	35%	0.351	S	S	*	.	S	Bend	trans	-125	146.3	176.3	52.2	0	0	0	0	108.5	F256 P260	F256-T258 VanDerWaalsContact C-N 3.28Å; T258-P260 WeakPolarHBondContact O-CD 3.4Å
259	S	44.4	Very low	49.9	Very low	30 Å²	30	64.2 Å²	64.2	21%	0.21	35%	0.348	C	S	.	.			trans	-43.5	116.4	161	166.3	0	0	0	0	107.1	Y261	S259-Y261 PolarHBondContact O-N 3.49Å; S259-Y261 VanDerWaalsContact OG-CD2 3.27Å; S259-Y261 WeakPolarHBondContact OG-CD2 3.25Å
260	P	42	Very low	49.1	Very low	15 Å²	15	64.7 Å²	64.7	10%	0.097	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-1.1	-165.8	17.1	-29.8	0	0	0	114.4	L9 P237 F256 T258	L9-P260 HydrophobicContact CD1-CB 4.29Å; L9-P260 HydrophobicContact CD2-CB 3.94Å; P237-P260 HydrophobicContact CG-CG 4.39Å; F256-P260 HydrophobicContact CD1-CB 3.62Å; F256-P260 HydrophobicContact CD1-CG 4.5Å; F256-P260 HydrophobicContact CE1-CB 3.44Å; F256-P260 VanDerWaalsContact CE1-CB 3.44Å; F256-P260 HydrophobicContact CG-CB 4.33Å; F256-P260 HydrophobicContact CZ-CB 4.01Å; T258-P260 WeakPolarHBondContact O-CD 3.4Å
261	Y	47.5	Very low	49.3	Very low	16 Å²	16	64.2 Å²	64.2	6%	0.063	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-5.5	-156.6	-42.7	-105.6	0	0	0	111.8	M1 M6 F43 I47 S259 W263	M1-Y261 WeakPolarHBondContact CE-O 3.41Å; M1-Y261 VanDerWaalsContact SD-O 3.4Å; M6-Y261 HydrophobicContact CE-CD1 4.18Å; M6-Y261 HydrophobicContact SD-CD1 4.21Å; F43-Y261 HydrophobicContact CD1-CD1 4.45Å; F43-Y261 AromaticContact CD1-CE1 3.97Å; F43-Y261 HydrophobicContact CD1-CE1 3.97Å; F43-Y261 AromaticContact CE1-CD1 3.62Å; F43-Y261 HydrophobicContact CE1-CD1 3.62Å; F43-Y261 AromaticContact CE1-CE1 3.06Å; F43-Y261 HydrophobicContact CE1-CE1 3.06Å; F43-Y261 AromaticContact CE2-CE1 3.98Å; F43-Y261 HydrophobicContact CE2-CE1 3.98Å; F43-Y261 HydrophobicContact CZ-CD1 4.05Å; F43-Y261 AromaticContact CZ-CE1 3.07Å; F43-Y261 HydrophobicContact CZ-CE1 3.07Å; F43-Y261 AromaticContact CZ-CZ 3.54Å; F43-Y261 VanDerWaalsContact CZ-OH 3.31Å; F43-Y261 WeakPolarHBondContact CZ-OH 3.31Å; I47-Y261 HydrophobicContact CD1-CD1 3.41Å; I47-Y261 VanDerWaalsContact CD1-CD1 3.41Å; I47-Y261 HydrophobicContact CD1-CE1 3.26Å; I47-Y261 HydrophobicContact CG1-CD1 3.95Å; I47-Y261 HydrophobicContact CG1-CE1 3.36Å; S259-Y261 PolarHBondContact O-N 3.49Å; S259-Y261 VanDerWaalsContact OG-CD2 3.27Å; S259-Y261 WeakPolarHBondContact OG-CD2 3.25Å; Y261-W263 VanDerWaalsContact CA-CD1 3.48Å; Y261-W263 VanDerWaalsContact CA-NE1 3.27Å; Y261-W263 AromaticContact CG-NE1 3.88Å; Y261-W263 PolarHBondContact O-NE1 2.79Å
262	G	41.7	Very low	50.4	Low	58 Å²	58	58 Å²	58	60%	0.598	32%	0.323	S	S	*	.			trans	78.3	43.1	172	0	0	0	0	0	116.8
263	W	45.4	Very low	52.3	Low	73 Å²	73	51.8 Å²	51.8	28%	0.277	29%	0.29	S	S	.	.			trans	-100.3	159.7	-161.1	-68	80.4	0	0	0	116.5	R53 K54 A55 Y261 P265	R53-W263 WeakPolarHBondContact O-CZ3 3.45Å; K54-W263 VanDerWaalsContact CA-CH2 3.47Å; K54-W263 HydrophobicContact CB-CH2 4.13Å; K54-W263 HydrophobicContact CB-CZ3 4.19Å; K54-W263 HydrophobicContact CG-CH2 4.02Å; K54-W263 HydrophobicContact CG-CZ3 4.25Å; A55-W263 HydrophobicContact CB-CE3 4.24Å; A55-W263 HydrophobicContact CB-CZ3 4.47Å; Y261-W263 VanDerWaalsContact CA-CD1 3.48Å; Y261-W263 VanDerWaalsContact CA-NE1 3.27Å; Y261-W263 AromaticContact CG-NE1 3.88Å; Y261-W263 PolarHBondContact O-NE1 2.79Å; W263-P265 VanDerWaalsContact O-CD 3.32Å; W263-P265 WeakPolarHBondContact O-CD 3.37Å
264	N	39.5	Very low	54.5	Low	27 Å²	27	51.3 Å²	51.3	14%	0.144	29%	0.286	C	S	.	.			trans	-49	112.2	179.2	-177.6	-16.6	0	0	0	111.5	A55 E59 F266	A55-N264 HydrophobicContact CB-CB 4.01Å; E59-N264 PolarHBondContact OE1-ND2 2.7Å; E59-N264 PolarHBondContact OE2-ND2 3.07Å; N264-F266 VanDerWaalsContact C-N 3.26Å; N264-F266 PolarHBondContact O-N 2.73Å; N264-F266 VanDerWaalsContact OD1-CB 3.26Å; N264-F266 WeakPolarHBondContact OD1-CB 2.97Å; N264-F266 VanDerWaalsContact OD1-CD2 3.26Å; N264-F266 WeakPolarHBondContact OD1-CD2 3.47Å; N264-F266 PolarHBondContact OD1-N 3.14Å
265	P	36.9	Very low	57	Low	21 Å²	21	46.9 Å²	46.9	14%	0.136	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.7	-178	29.6	-31.7	0	0	0	114.3	F64 F67 W263 V267	F64-P265 HydrophobicContact CB-CB 4.24Å; F64-P265 HydrophobicContact CB-CG 3.11Å; F64-P265 HydrophobicContact CD2-CG 4.19Å; F64-P265 HydrophobicContact CG-CG 3.97Å; F67-P265 HydrophobicContact CB-CB 3.99Å; F67-P265 WeakPolarHBondContact CB-O 3.3Å; W263-P265 VanDerWaalsContact O-CD 3.32Å; W263-P265 WeakPolarHBondContact O-CD 3.37Å; P265-V267 PolarHBondContact O-N 3.02Å
266	F	37.6	Very low	59.8	Low	109 Å²	109	39.9 Å²	39.9	48%	0.478	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-21.6	172.9	-75.7	-74.2	0	0	0	113.2	F64 N264	F64-F266 HydrophobicContact CD1-CZ 4.42Å; F64-F266 AromaticContact CD2-CE2 3.97Å; F64-F266 HydrophobicContact CD2-CE2 3.97Å; F64-F266 HydrophobicContact CD2-CZ 4.49Å; F64-F266 HydrophobicContact CE1-CE1 4.44Å; F64-F266 HydrophobicContact CE1-CE2 4.08Å; F64-F266 AromaticContact CE1-CZ 3.64Å; F64-F266 HydrophobicContact CE1-CZ 3.64Å; F64-F266 HydrophobicContact CE2-CD2 4.24Å; F64-F266 AromaticContact CE2-CE2 3.26Å; F64-F266 HydrophobicContact CE2-CE2 3.26Å; F64-F266 AromaticContact CE2-CZ 3.71Å; F64-F266 HydrophobicContact CE2-CZ 3.71Å; F64-F266 HydrophobicContact CZ-CE1 4.4Å; F64-F266 AromaticContact CZ-CE2 3.37Å; F64-F266 HydrophobicContact CZ-CE2 3.37Å; F64-F266 AromaticContact CZ-CZ 3.25Å; F64-F266 HydrophobicContact CZ-CZ 3.25Å; N264-F266 VanDerWaalsContact C-N 3.26Å; N264-F266 PolarHBondContact O-N 2.73Å; N264-F266 VanDerWaalsContact OD1-CB 3.26Å; N264-F266 WeakPolarHBondContact OD1-CB 2.97Å; N264-F266 VanDerWaalsContact OD1-CD2 3.26Å; N264-F266 WeakPolarHBondContact OD1-CD2 3.47Å; N264-F266 PolarHBondContact OD1-N 3.14Å
267	V	43.2	Very low	62.6	Low	62 Å²	62	36 Å²	36	38%	0.376	21%	0.209	S	C	.	.			trans	-126.4	97.1	-179.1	-151.7	0	0	0	0	108.8	P265 V269	P265-V267 PolarHBondContact O-N 3.02Å; V267-V269 HydrophobicContact CG1-CG2 4.2Å; V267-V269 WeakPolarHBondContact CG1-O 3.39Å; V267-V269 PolarHBondContact O-N 3.11Å
268	A	51.4	Low	65.3	Low	22 Å²	22	28.8 Å²	28.8	18%	0.182	17%	0.171	C	C	.	.	S	Bend	trans	-67.3	-21.3	177.7	0	0	0	0	0	112.4	W70 Q234	W70-A268 HydrophobicContact CD2-CB 4.33Å; W70-A268 HydrophobicContact CE3-CB 3.53Å; W70-A268 HydrophobicContact CZ3-CB 3.84Å; W70-A268 VanDerWaalsContact CZ3-O 3.3Å; W70-A268 WeakPolarHBondContact CZ3-O 3.32Å; Q234-A268 WeakPolarHBondContact CB-O 3.41Å
269	V	58.4	Low	68	Low	18 Å²	18	24.1 Å²	24.1	11%	0.109	14%	0.142	C	C	.	.			trans	-105.9	126.2	175.7	-64.9	0	0	0	0	110	W70 G232 I233 V267 L317	W70-V269 HydrophobicContact CE3-CG1 4.45Å; W70-V269 HydrophobicContact CZ3-CG1 3.87Å; G232-V269 WeakPolarHBondContact O-CG1 3.33Å; I233-V269 CarbonylContact O-C 3.48Å; I233-V269 WeakPolarHBondContact O-CA 3.33Å; V267-V269 HydrophobicContact CG1-CG2 4.2Å; V267-V269 WeakPolarHBondContact CG1-O 3.39Å; V267-V269 PolarHBondContact O-N 3.11Å; V269-L317 HydrophobicContact CG2-CD1 3.82Å
270	D	69.9	Low	70.5	Confident	40 Å²	40	23.9 Å²	23.9	21%	0.214	14%	0.139	C	C	.	.			trans	-108	-19.3	-178.5	49.3	15.3	0	0	0	113.1	A50 G51 A52 I233 Q234 V235	A50-D270 CarbonylContact O-C 3.57Å; G51-D270 CarbonylContact C-O 3.49Å; G51-D270 WeakPolarHBondContact CA-O 3.31Å; A52-D270 HydrophobicContact CB-CB 3.98Å; I233-D270 PolarHBondContact O-N 2.91Å; Q234-D270 VanDerWaalsContact CA-OD1 3.31Å; Q234-D270 WeakPolarHBondContact CA-OD1 3.47Å; V235-D270 PolarHBondContact N-OD1 3.39Å
271	H	88.7	Confident	73.1	Confident	3 Å²	3	26.6 Å²	26.6	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	137	-175.1	-166.9	43.4	0	0	0	112.5	A50 C114 G232 I233 V235 V273 N291 W293	A50-H271 VanDerWaalsContact O-CA 3.27Å; A50-H271 WeakPolarHBondContact O-CA 3.47Å; A50-H271 WeakPolarHBondContact O-CB 3.45Å; A50-H271 PolarHBondContact O-N 3.29Å; C114-H271 WeakPolarHBondContact CB-CE1 3.32Å; C114-H271 VanDerWaalsContact CB-ND1 3.31Å; C114-H271 WeakPolarHBondContact CB-ND1 3.44Å; C114-H271 PolarHBondContact SG-ND1 3.3Å; C114-H271 VanDerWaalsContact SG-ND1 3.42Å; G232-H271 CarbonylContact C-O 3.1Å; G232-H271 WeakPolarHBondContact CA-O 3.37Å; I233-H271 HydrophobicContact CG1-CB 3.95Å; I233-H271 PolarHBondContact N-O 2.97Å; I233-H271 PolarHBondContact O-N 2.62Å; V235-H271 HydrophobicContact CG2-CB 3.44Å; V235-H271 VanDerWaalsContact CG2-CB 3.44Å; H271-V273 WeakPolarHBondContact CD2-CG1 3.27Å; H271-N291 PolarHBondContact NE2-OD1 3.05Å; H271-W293 AromaticContact CE1-NE1 3.6Å; H271-W293 AromaticContact NE2-CE2 3.9Å; H271-W293 AromaticContact NE2-CZ2 3.92Å; H271-W293 AromaticContact NE2-NE1 3.76Å
272	A	92.9	Very high	75.3	Confident	7 Å²	7	37.2 Å²	37.2	6%	0.058	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.4	174.6	0	0	0	0	0	110.9	C114 A118 P159 V231	C114-A272 HydrophobicContact CB-CB 4.43Å; C114-A272 PolarHBondContact SG-N 3.01Å; C114-A272 VanDerWaalsContact SG-N 3.41Å; A118-A272 HydrophobicContact CB-CB 3.97Å; P159-A272 HydrophobicContact CG-CB 3.92Å; V231-A272 WeakPolarHBondContact O-CA 3.13Å
273	V	96.3	Very high	77.7	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	172.4	-179.5	-64.5	0	0	0	0	110.1	A230 V231 I233 H271 V289	A230-V273 CarbonylContact C-O 3.1Å; A230-V273 WeakPolarHBondContact CA-O 3.11Å; V231-V273 HydrophobicContact CG2-CG2 3.53Å; V231-V273 PolarHBondContact N-O 2.9Å; V231-V273 PolarHBondContact O-N 2.97Å; I233-V273 HydrophobicContact CD1-CG1 4.05Å; I233-V273 HydrophobicContact CD1-CG2 4.12Å; I233-V273 HydrophobicContact CG1-CG1 4.4Å; I233-V273 HydrophobicContact CG1-CG2 4.21Å; I233-V273 HydrophobicContact CG2-CG2 3.91Å; H271-V273 WeakPolarHBondContact CD2-CG1 3.27Å; V273-V289 HydrophobicContact CB-CG1 3.57Å; V273-V289 HydrophobicContact CG1-CG1 4.38Å; V273-V289 HydrophobicContact CG2-CG1 3.38Å
274	T	98.5	Very high	80.2	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.3	-177	-52.4	0	0	0	0	110.9	A118 A121 V122 P228 V229 V276 V289 K290	A118-T274 WeakPolarHBondContact CA-OG1 3.37Å; A118-T274 PolarHBondContact O-OG1 3.02Å; A121-T274 HydrophobicContact CB-CG2 4.37Å; V122-T274 HydrophobicContact CG2-CG2 3.83Å; P228-T274 HydrophobicContact CB-CG2 3.78Å; V229-T274 CarbonylContact O-C 3.59Å; V229-T274 WeakPolarHBondContact O-CA 3.42Å; V229-T274 WeakPolarHBondContact O-CG2 3.36Å; T274-V276 HydrophobicContact CG2-CG1 4.01Å; T274-V289 CarbonylContact O-C 3.35Å; T274-V289 WeakPolarHBondContact O-CA 2.83Å; T274-K290 PolarHBondContact N-O 3.4Å; T274-K290 VanDerWaalsContact N-O 3.14Å; T274-K290 PolarHBondContact O-N 3.26Å
275	V	98.8	Very high	83	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122	170.9	178.9	0	0	0	0	108.6	V223 P228 V229 V231 W287 V289 I314	V223-V275 HydrophobicContact CG2-CB 4.42Å; V223-V275 HydrophobicContact CG2-CG1 3.9Å; P228-V275 VanDerWaalsContact CA-O 3.23Å; P228-V275 WeakPolarHBondContact CA-O 3.09Å; P228-V275 WeakPolarHBondContact CB-O 3.18Å; V229-V275 HydrophobicContact CG2-CB 4.05Å; V229-V275 PolarHBondContact N-O 3.21Å; V229-V275 VanDerWaalsContact N-O 3.12Å; V229-V275 PolarHBondContact O-N 2.92Å; V231-V275 HydrophobicContact CB-CG2 4.33Å; V231-V275 HydrophobicContact CG1-CB 4.5Å; V231-V275 HydrophobicContact CG1-CG2 3.65Å; V231-V275 HydrophobicContact CG2-CG2 3.66Å; V275-W287 HydrophobicContact CG1-CB 4.43Å; V275-W287 HydrophobicContact CG1-CD2 4.17Å; V275-W287 HydrophobicContact CG1-CE3 3.56Å; V275-W287 HydrophobicContact CG1-CZ3 4.22Å; V275-V289 HydrophobicContact CG2-CG2 4.27Å; V275-I314 HydrophobicContact CG2-CD1 4.25Å
276	V	98.6	Very high	85.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	-1.2	-175.9	-57.3	0	0	0	0	113.4	W93 R94 V102 P228 T274 I288 K290 Y302	W93-V276 WeakPolarHBondContact CB-O 3.3Å; W93-V276 PolarHBondContact N-O 3.18Å; W93-V276 VanDerWaalsContact N-O 3.1Å; R94-V276 HydrophobicContact CG-CG2 4.38Å; V102-V276 HydrophobicContact CG1-CB 4.47Å; V102-V276 HydrophobicContact CG1-CG1 3.83Å; V102-V276 HydrophobicContact CG2-CB 3.86Å; V102-V276 HydrophobicContact CG2-CG1 4.03Å; V102-V276 HydrophobicContact CG2-CG2 4.45Å; P228-V276 HydrophobicContact CB-CG1 4.09Å; P228-V276 HydrophobicContact CG-CB 4.33Å; P228-V276 HydrophobicContact CG-CG1 4.14Å; T274-V276 HydrophobicContact CG2-CG1 4.01Å; V276-I288 HydrophobicContact CG2-CB 4.15Å; V276-I288 HydrophobicContact CG2-CG2 3.64Å; V276-I288 PolarHBondContact N-O 2.86Å; V276-K290 HydrophobicContact CG1-CB 4.06Å; V276-Y302 HydrophobicContact CG2-CD1 4.36Å; V276-Y302 HydrophobicContact CG2-CE1 4.03Å
277	G	98.6	Very high	88.8	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.6	-175.3	-178.1	0	0	0	0	0	112.3	F91 I288	F91-G277 CarbonylContact O-C 3.59Å; F91-G277 WeakPolarHBondContact O-CA 3.33Å; G277-I288 PolarHBondContact O-N 2.86Å
278	Y	98.7	Very high	91.5	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	160.8	-179.3	53.9	-100.6	0	0	0	111.2	P88 F91 K220 V223 Y286 W287	P88-Y278 VanDerWaalsContact O-CE2 3.25Å; P88-Y278 WeakPolarHBondContact O-CE2 3.34Å; F91-Y278 HydrophobicContact CB-CD1 4.5Å; F91-Y278 HydrophobicContact CB-CD2 4.31Å; F91-Y278 HydrophobicContact CB-CE1 3.91Å; F91-Y278 HydrophobicContact CB-CE2 3.64Å; F91-Y278 VanDerWaalsContact CB-CZ 3.44Å; F91-Y278 HydrophobicContact CD1-CE1 4.24Å; F91-Y278 PolarHBondContact N-O 2.66Å; F91-Y278 PolarHBondContact O-N 3.07Å; F91-Y278 VanDerWaalsContact O-O 3.08Å; K220-Y278 HydrophobicContact CB-CE1 4.43Å; K220-Y278 HydrophobicContact CD-CE1 4.45Å; K220-Y278 HydrophobicContact CD-CE2 4.29Å; K220-Y278 HydrophobicContact CG-CD1 3.82Å; K220-Y278 HydrophobicContact CG-CD2 4.38Å; K220-Y278 HydrophobicContact CG-CE1 3.41Å; K220-Y278 VanDerWaalsContact CG-CE1 3.41Å; K220-Y278 HydrophobicContact CG-CE2 4.08Å; K220-Y278 HydrophobicContact CG-CG 4.28Å; V223-Y278 HydrophobicContact CG1-CD1 4.3Å; V223-Y278 HydrophobicContact CG1-CE1 4.38Å; Y278-Y286 VanDerWaalsContact CA-O 3.31Å; Y278-Y286 WeakPolarHBondContact CA-O 3.43Å; Y278-Y286 WeakPolarHBondContact CB-O 3.22Å; Y278-W287 AromaticContact CD1-CZ3 3.89Å; Y278-W287 HydrophobicContact CD1-CZ3 3.89Å; Y278-W287 HydrophobicContact CG-CZ3 4.18Å
279	G	98.1	Very high	93.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	-173.9	175.6	0	0	0	0	0	113.6	K285 Y286 R307	G279-K285 WeakPolarHBondContact O-CA 3.3Å; G279-Y286 PolarHBondContact N-O 3.11Å; G279-Y286 PolarHBondContact O-N 2.53Å; G279-R307 PolarHBondContact O-NH2 3.29Å; G279-R307 VanDerWaalsContact O-NH2 3.08Å
280	V	97.6	Very high	95.7	Very high	24 Å²	24	28.9 Å²	28.9	15%	0.145	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.6	172.8	-176.6	0	0	0	0	109	E89 H90 T284 K285	E89-V280 HydrophobicContact CG-CB 3.88Å; E89-V280 HydrophobicContact CG-CG2 3.38Å; H90-V280 PolarHBondContact CE1-N 2.86Å; H90-V280 PolarHBondContact CE1-O 3.42Å; H90-V280 PolarHBondContact NE2-O 3.27Å; V280-T284 CarbonylContact C-O 3.57Å; V280-T284 WeakPolarHBondContact CA-O 3.03Å; V280-K285 HydrophobicContact CG2-CG 4.04Å
281	E	96.5	Very high	96.9	Very high	73 Å²	73	27.2 Å²	27.2	34%	0.341	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.6	176.7	-177.9	179.1	152.3	0	0	108.5	I246 G283 T284 Y286 K304	I246-E281 HydrophobicContact CD1-CB 4.19Å; E281-G283 PolarHBondContact O-N 2.92Å; E281-T284 PolarHBondContact N-O 2.99Å; E281-T284 WeakPolarHBondContact O-CB 3.23Å; E281-T284 PolarHBondContact O-N 3.21Å; E281-Y286 HydrophobicContact CB-CD1 4.35Å; E281-Y286 HydrophobicContact CB-CE1 3.76Å; E281-K304 IonicContact OE2-NZ 3.09Å; E281-K304 PolarHBondContact OE2-NZ 3.4Å
282	R	93.2	Very high	97.3	Very high	239 Å²	239	27.5 Å²	27.5	90%	0.902	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	43.5	-176.6	-55.5	177.1	-171.6	174.7	2.8	112.7	T284	R282-T284 VanDerWaalsContact C-N 3.26Å; R282-T284 PolarHBondContact O-N 2.81Å
283	G	93.5	Very high	97.4	Very high	70 Å²	70	27.2 Å²	27.2	72%	0.722	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	-2.3	-178.5	0	0	0	0	0	115.6	E281	E281-G283 PolarHBondContact O-N 2.92Å
284	T	97.2	Very high	97.3	Very high	29 Å²	29	27.5 Å²	27.5	18%	0.178	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	118.2	177.4	-56.9	0	0	0	0	110.5	K29 I246 V280 E281 R282 L306	K29-T284 HydrophobicContact CD-CG2 4.46Å; I246-T284 HydrophobicContact CD1-CG2 3.62Å; I246-T284 HydrophobicContact CG2-CG2 4.09Å; V280-T284 CarbonylContact C-O 3.57Å; V280-T284 WeakPolarHBondContact CA-O 3.03Å; E281-T284 PolarHBondContact N-O 2.99Å; E281-T284 WeakPolarHBondContact O-CB 3.23Å; E281-T284 PolarHBondContact O-N 3.21Å; R282-T284 VanDerWaalsContact C-N 3.26Å; R282-T284 PolarHBondContact O-N 2.81Å; T284-L306 HydrophobicContact CG2-CD1 3.46Å; T284-L306 VanDerWaalsContact CG2-CD1 3.46Å
285	K	98.2	Very high	97.2	Very high	77 Å²	77	32.6 Å²	32.6	34%	0.335	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	140	176	-59	-172.1	-62.1	172.9	0	110.7	E216 G279 V280 R307	E216-K285 WeakPolarHBondContact OE1-CE 3.42Å; E216-K285 IonicContact OE1-NZ 2.91Å; E216-K285 PolarHBondContact OE1-NZ 3.38Å; E216-K285 IonicContact OE2-NZ 2.76Å; E216-K285 PolarHBondContact OE2-NZ 2.94Å; G279-K285 WeakPolarHBondContact O-CA 3.3Å; V280-K285 HydrophobicContact CG2-CG 4.04Å; K285-R307 HydrophobicContact CB-CB 4.02Å; K285-R307 HydrophobicContact CB-CG 4.35Å; K285-R307 WeakPolarHBondContact CE-O 3.27Å; K285-R307 PolarHBondContact O-N 2.83Å
286	Y	98.7	Very high	97	Very high	22 Å²	22	35.7 Å²	35.7	9%	0.086	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155.5	173.8	62.1	-90.7	0	0	0	113.1	I246 Y278 G279 E281 I288 K304 I305 R307	I246-Y286 HydrophobicContact CD1-CD1 3.69Å; I246-Y286 HydrophobicContact CD1-CE1 4.48Å; I246-Y286 HydrophobicContact CD1-CG 4.33Å; I246-Y286 HydrophobicContact CG1-CD1 4.06Å; I246-Y286 HydrophobicContact CG1-CG 4.3Å; Y278-Y286 VanDerWaalsContact CA-O 3.31Å; Y278-Y286 WeakPolarHBondContact CA-O 3.43Å; Y278-Y286 WeakPolarHBondContact CB-O 3.22Å; G279-Y286 PolarHBondContact N-O 3.11Å; G279-Y286 PolarHBondContact O-N 2.53Å; E281-Y286 HydrophobicContact CB-CD1 4.35Å; E281-Y286 HydrophobicContact CB-CE1 3.76Å; Y286-I288 HydrophobicContact CD2-CG1 4.03Å; Y286-I288 HydrophobicContact CE2-CD1 4.23Å; Y286-I288 HydrophobicContact CE2-CG1 3.68Å; Y286-K304 HydrophobicContact CD2-CB 3.79Å; Y286-K304 HydrophobicContact CD2-CD 3.86Å; Y286-K304 HydrophobicContact CD2-CG 3.64Å; Y286-K304 HydrophobicContact CE1-CD 4.45Å; Y286-K304 HydrophobicContact CE2-CD 3.79Å; Y286-K304 HydrophobicContact CE2-CG 3.86Å; Y286-K304 HydrophobicContact CG-CB 4.05Å; Y286-K304 HydrophobicContact CG-CD 4.23Å; Y286-K304 HydrophobicContact CG-CG 4.27Å; Y286-I305 CarbonylContact C-O 3.51Å; Y286-I305 WeakPolarHBondContact CA-O 3.15Å; Y286-I305 WeakPolarHBondContact CB-O 3.05Å; Y286-R307 PolarHBondContact O-NE 3.39Å
287	W	98.8	Very high	96.9	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	143.1	162.5	-66.4	115.7	0	0	0	109.6	E216 I219 K220 V275 Y278 V289 K304 I305 R307 I314 E315	E216-W287 HydrophobicContact CB-CZ2 4.48Å; E216-W287 HydrophobicContact CG-CZ2 3.93Å; E216-W287 WeakPolarHBondContact O-CH2 3.15Å; I219-W287 HydrophobicContact CB-CH2 3.9Å; I219-W287 HydrophobicContact CB-CZ2 4.11Å; I219-W287 HydrophobicContact CG2-CE3 4.39Å; I219-W287 HydrophobicContact CG2-CH2 3.61Å; I219-W287 HydrophobicContact CG2-CZ2 3.95Å; I219-W287 HydrophobicContact CG2-CZ3 3.85Å; K220-W287 HydrophobicContact CB-CH2 4.01Å; V275-W287 HydrophobicContact CG1-CB 4.43Å; V275-W287 HydrophobicContact CG1-CD2 4.17Å; V275-W287 HydrophobicContact CG1-CE3 3.56Å; V275-W287 HydrophobicContact CG1-CZ3 4.22Å; Y278-W287 AromaticContact CD1-CZ3 3.89Å; Y278-W287 HydrophobicContact CD1-CZ3 3.89Å; Y278-W287 HydrophobicContact CG-CZ3 4.18Å; W287-V289 HydrophobicContact CB-CG2 3.91Å; W287-K304 CarbonylContact O-C 3.58Å; W287-K304 WeakPolarHBondContact O-CA 3.44Å; W287-I305 PolarHBondContact N-O 3.04Å; W287-I305 PolarHBondContact O-N 3.01Å; W287-R307 HydrophobicContact CD2-CB 4.28Å; W287-R307 VanDerWaalsContact CD2-CD 3.49Å; W287-R307 HydrophobicContact CD2-CG 3.99Å; W287-R307 HydrophobicContact CG-CB 4.06Å; W287-R307 HydrophobicContact CG-CG 4.29Å; W287-R307 HydrophobicContact CH2-CG 4.38Å; W287-R307 HydrophobicContact CZ2-CG 3.63Å; W287-I314 HydrophobicContact CB-CD1 4.25Å; W287-I314 HydrophobicContact CG-CD1 4.28Å; W287-E315 PolarHBondContact NE1-OE1 2.94Å
288	I	98.8	Very high	96.8	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.2	169.1	-55.9	172.3	0	0	0	107.1	D92 R94 V276 G277 Y286 Y302	D92-I288 HydrophobicContact CB-CD1 3.86Å; R94-I288 VanDerWaalsContact CZ-CG2 3.41Å; V276-I288 HydrophobicContact CG2-CB 4.15Å; V276-I288 HydrophobicContact CG2-CG2 3.64Å; V276-I288 PolarHBondContact N-O 2.86Å; G277-I288 PolarHBondContact O-N 2.86Å; Y286-I288 HydrophobicContact CD2-CG1 4.03Å; Y286-I288 HydrophobicContact CE2-CD1 4.23Å; Y286-I288 HydrophobicContact CE2-CG1 3.68Å; I288-Y302 HydrophobicContact CG2-CD1 4.36Å
289	V	98.8	Very high	96.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.6	-170.1	-176	0	0	0	0	110	V273 T274 V275 W287 Y302 V303 I305 I314	V273-V289 HydrophobicContact CB-CG1 3.57Å; V273-V289 HydrophobicContact CG1-CG1 4.38Å; V273-V289 HydrophobicContact CG2-CG1 3.38Å; T274-V289 CarbonylContact O-C 3.35Å; T274-V289 WeakPolarHBondContact O-CA 2.83Å; V275-V289 HydrophobicContact CG2-CG2 4.27Å; W287-V289 HydrophobicContact CB-CG2 3.91Å; V289-Y302 CarbonylContact O-C 3.54Å; V289-Y302 VanDerWaalsContact O-CA 3.24Å; V289-Y302 WeakPolarHBondContact O-CA 3.26Å; V289-Y302 WeakPolarHBondContact O-CD1 3.48Å; V289-V303 HydrophobicContact CB-CG1 3.86Å; V289-V303 WeakPolarHBondContact CB-O 3.43Å; V289-V303 HydrophobicContact CG1-CG1 4.23Å; V289-V303 PolarHBondContact N-O 2.62Å; V289-V303 PolarHBondContact O-N 2.7Å; V289-I305 HydrophobicContact CG2-CB 4.4Å; V289-I305 HydrophobicContact CG2-CD1 4.11Å; V289-I305 HydrophobicContact CG2-CG1 4.17Å; V289-I314 HydrophobicContact CG2-CD1 3.74Å
290	K	98.5	Very high	96.7	Very high	10 Å²	10	45.2 Å²	45.2	4%	0.043	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.1	171.7	-174.3	-178	174.3	-179.3	0	109	V102 S103 D104 V105 A121 T274 V276 Y302	V102-K290 HydrophobicContact CG1-CD 3.94Å; S103-K290 WeakPolarHBondContact O-CE 3.46Å; S103-K290 PolarHBondContact O-NZ 2.82Å; S103-K290 PolarHBondContact OG-NZ 3.31Å; D104-K290 VanDerWaalsContact O-CE 3.23Å; D104-K290 WeakPolarHBondContact O-CE 3.2Å; D104-K290 PolarHBondContact O-NZ 3.1Å; V105-K290 HydrophobicContact CG2-CG 4.19Å; A121-K290 HydrophobicContact CB-CD 4.24Å; T274-K290 PolarHBondContact N-O 3.4Å; T274-K290 VanDerWaalsContact N-O 3.14Å; T274-K290 PolarHBondContact O-N 3.26Å; V276-K290 HydrophobicContact CG1-CB 4.06Å; K290-Y302 HydrophobicContact CB-CD1 3.96Å; K290-Y302 HydrophobicContact CB-CE1 3.58Å; K290-Y302 HydrophobicContact CD-CE1 4.4Å; K290-Y302 HydrophobicContact CG-CD1 4.42Å; K290-Y302 HydrophobicContact CG-CE1 3.81Å
291	N	97.1	Very high	96.7	Very high	4 Å²	4	44 Å²	44	2%	0.021	22%	0.221	C	C	.	.			trans	-101.1	174.7	174	-160.8	4.9	0	0	0	110.8	H271 W293 W297 G301	H271-N291 PolarHBondContact NE2-OD1 3.05Å; N291-W293 VanDerWaalsContact ND2-CD2 3.27Å; N291-W293 VanDerWaalsContact ND2-CE3 3.3Å; N291-W297 HydrophobicContact CB-CE3 4.15Å; N291-W297 HydrophobicContact CB-CH2 4.49Å; N291-W297 HydrophobicContact CB-CZ3 3.69Å; N291-W297 VanDerWaalsContact ND2-CZ3 3.29Å; N291-W297 WeakPolarHBondContact ND2-CZ3 3.29Å; N291-G301 PolarHBondContact N-O 2.76Å
292	S	95.9	Very high	96.9	Very high	9 Å²	9	41.6 Å²	41.6	6%	0.063	21%	0.209	C	C	.	.	S	Bend	trans	-124	37.1	-179	54.2	0	0	0	0	112.9	R106 D107 Q108	R106-S292 CarbonylContact O-C 3.56Å; R106-S292 VanDerWaalsContact O-CA 3.26Å; R106-S292 WeakPolarHBondContact O-CA 3.49Å; D107-S292 CarbonylContact C-O 3.5Å; D107-S292 WeakPolarHBondContact CA-O 3.36Å; Q108-S292 WeakPolarHBondContact CG-O 3.44Å; Q108-S292 PolarHBondContact N-O 3.42Å; Q108-S292 PolarHBondContact OE1-OG 3.03Å
293	W	94.4	Very high	97.1	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-111.5	23.9	177.2	-59.8	-13.6	0	0	0	112.7	W38 K49 A50 V235 F239 Y240 H271 N291 Y296 W297	W38-W293 HydrophobicContact CH2-CB 4.45Å; W38-W293 HydrophobicContact CH2-CD2 4.38Å; W38-W293 HydrophobicContact CH2-CE3 4.17Å; W38-W293 HydrophobicContact CZ2-CE3 4.1Å; K49-W293 PolarHBondContact O-NE1 3.07Å; A50-W293 HydrophobicContact CB-CZ2 4.23Å; V235-W293 HydrophobicContact CG1-CH2 3.97Å; V235-W293 HydrophobicContact CG2-CH2 4.47Å; F239-W293 AromaticContact CD1-CH2 3.65Å; F239-W293 HydrophobicContact CD1-CH2 3.65Å; F239-W293 AromaticContact CD1-CZ3 3.74Å; F239-W293 HydrophobicContact CD1-CZ3 3.74Å; F239-W293 AromaticContact CE1-CH2 3.78Å; F239-W293 HydrophobicContact CE1-CH2 3.78Å; F239-W293 AromaticContact CE1-CZ3 3.81Å; F239-W293 HydrophobicContact CE1-CZ3 3.81Å; Y240-W293 AromaticContact CD1-CH2 3.82Å; Y240-W293 HydrophobicContact CD1-CH2 3.82Å; Y240-W293 AromaticContact CD1-CZ3 3.88Å; Y240-W293 HydrophobicContact CD1-CZ3 3.88Å; Y240-W293 AromaticContact CE1-CH2 3.72Å; Y240-W293 HydrophobicContact CE1-CH2 3.72Å; Y240-W293 HydrophobicContact CE1-CZ2 4.26Å; Y240-W293 HydrophobicContact CE1-CZ3 4.24Å; H271-W293 AromaticContact CE1-NE1 3.6Å; H271-W293 AromaticContact NE2-CE2 3.9Å; H271-W293 AromaticContact NE2-CZ2 3.92Å; H271-W293 AromaticContact NE2-NE1 3.76Å; N291-W293 VanDerWaalsContact ND2-CD2 3.27Å; N291-W293 VanDerWaalsContact ND2-CE3 3.3Å; W293-Y296 WeakPolarHBondContact O-CE1 3Å; W293-Y296 PolarHBondContact O-OH 3.04Å; W293-W297 AromaticContact CE3-CD2 3.95Å; W293-W297 HydrophobicContact CE3-CD2 3.95Å; W293-W297 AromaticContact CE3-CE2 3.77Å; W293-W297 HydrophobicContact CE3-CG 4.18Å; W293-W297 HydrophobicContact CE3-CZ2 4.21Å; W293-W297 AromaticContact CE3-NE1 3.88Å; W293-W297 AromaticContact CZ3-CE2 3.89Å; W293-W297 HydrophobicContact CZ3-CZ2 4.03Å; W293-W297 AromaticContact CZ3-NE1 3.93Å
294	G	94.9	Very high	97.3	Very high	9 Å²	9	28.4 Å²	28.4	9%	0.093	14%	0.139	C	C	.	.			trans	80.7	168.1	-179.3	0	0	0	0	0	114.9	R106 Y296 G301	R106-G294 PolarHBondContact O-N 3.21Å; G294-Y296 VanDerWaalsContact C-N 3.29Å; G294-Y296 PolarHBondContact O-N 2.88Å; G294-G301 WeakPolarHBondContact O-CA 3.45Å
295	K	96.4	Very high	97.4	Very high	109 Å²	109	27 Å²	27	47%	0.474	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.6	-175.9	-68.9	-179.6	178.7	-179.8	0	113.6	D104 V105 W297 N300	D104-K295 IonicContact OD1-NZ 3.39Å; D104-K295 PolarHBondContact OD1-NZ 3.21Å; V105-K295 HydrophobicContact CB-CG 3.82Å; V105-K295 HydrophobicContact CG1-CG 4.03Å; K295-W297 VanDerWaalsContact C-N 3.32Å; K295-N300 CarbonylContact O-C 3.53Å; K295-N300 WeakPolarHBondContact O-CA 3.31Å
296	Y	95.1	Very high	97.4	Very high	65 Å²	65	24.5 Å²	24.5	26%	0.255	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-27.9	-179.8	68.3	-95.3	0	0	0	112.6	Y35 E37 W38 W293 G294	Y35-Y296 HydrophobicContact CD1-CD2 4.02Å; Y35-Y296 WeakPolarHBondContact CE1-O 3.09Å; E37-Y296 HydrophobicContact CB-CD2 4.26Å; E37-Y296 HydrophobicContact CB-CE2 3.7Å; E37-Y296 HydrophobicContact CG-CD1 4.24Å; E37-Y296 HydrophobicContact CG-CD2 3.81Å; E37-Y296 HydrophobicContact CG-CE1 4.14Å; E37-Y296 HydrophobicContact CG-CE2 3.72Å; E37-Y296 HydrophobicContact CG-CG 4.08Å; W38-Y296 HydrophobicContact CH2-CE2 4.44Å; W38-Y296 WeakPolarHBondContact CH2-OH 3.27Å; W38-Y296 HydrophobicContact CZ2-CE2 4.2Å; W38-Y296 WeakPolarHBondContact CZ3-OH 3.24Å; W293-Y296 WeakPolarHBondContact O-CE1 3Å; W293-Y296 PolarHBondContact O-OH 3.04Å; G294-Y296 VanDerWaalsContact C-N 3.29Å; G294-Y296 PolarHBondContact O-N 2.88Å
297	W	95.6	Very high	97.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-90.6	140.8	-176.7	178.8	88.5	0	0	0	111.8	Y35 W38 F239 Y240 Y242 N291 W293 K295 G301 V303	Y35-W297 AromaticContact CE2-CD1 3.59Å; Y35-W297 HydrophobicContact CE2-CG 4.5Å; Y35-W297 AromaticContact CZ-CD1 3.89Å; W38-W297 AromaticContact CZ2-CD1 3.88Å; F239-W297 HydrophobicContact CD1-CH2 4.32Å; F239-W297 AromaticContact CD1-CZ2 3.85Å; F239-W297 HydrophobicContact CD1-CZ2 3.85Å; F239-W297 AromaticContact CE1-CH2 3.58Å; F239-W297 HydrophobicContact CE1-CH2 3.58Å; F239-W297 AromaticContact CE1-CZ2 3.55Å; F239-W297 HydrophobicContact CE1-CZ2 3.55Å; F239-W297 HydrophobicContact CE2-CH2 4.05Å; F239-W297 HydrophobicContact CE2-CZ2 4.32Å; F239-W297 HydrophobicContact CG-CZ2 4.37Å; F239-W297 AromaticContact CZ-CH2 3.44Å; F239-W297 HydrophobicContact CZ-CH2 3.44Å; F239-W297 VanDerWaalsContact CZ-CH2 3.44Å; F239-W297 AromaticContact CZ-CZ2 3.83Å; F239-W297 HydrophobicContact CZ-CZ2 3.83Å; F239-W297 WeakPolarHBondContact O-CZ2 3.27Å; F239-W297 PolarHBondContact O-NE1 2.92Å; Y240-W297 PolarHBondContact O-NE1 2.88Å; Y242-W297 HydrophobicContact CD1-CH2 4.02Å; Y242-W297 HydrophobicContact CD1-CZ2 4.09Å; Y242-W297 HydrophobicContact CD1-CZ3 4.5Å; Y242-W297 HydrophobicContact CG-CZ2 4.43Å; N291-W297 HydrophobicContact CB-CE3 4.15Å; N291-W297 HydrophobicContact CB-CH2 4.49Å; N291-W297 HydrophobicContact CB-CZ3 3.69Å; N291-W297 VanDerWaalsContact ND2-CZ3 3.29Å; N291-W297 WeakPolarHBondContact ND2-CZ3 3.29Å; W293-W297 AromaticContact CE3-CD2 3.95Å; W293-W297 HydrophobicContact CE3-CD2 3.95Å; W293-W297 AromaticContact CE3-CE2 3.77Å; W293-W297 HydrophobicContact CE3-CG 4.18Å; W293-W297 HydrophobicContact CE3-CZ2 4.21Å; W293-W297 AromaticContact CE3-NE1 3.88Å; W293-W297 AromaticContact CZ3-CE2 3.89Å; W293-W297 HydrophobicContact CZ3-CZ2 4.03Å; W293-W297 AromaticContact CZ3-NE1 3.93Å; K295-W297 VanDerWaalsContact C-N 3.32Å; W297-G301 WeakPolarHBondContact O-CA 3.04Å; W297-G301 PolarHBondContact O-N 3.18Å; W297-V303 HydrophobicContact CH2-CB 3.81Å; W297-V303 HydrophobicContact CH2-CG1 3.94Å; W297-V303 HydrophobicContact CH2-CG2 4.44Å; W297-V303 HydrophobicContact CZ3-CB 4.07Å; W297-V303 HydrophobicContact CZ3-CG1 4.2Å
298	G	97.4	Very high	96.9	Very high	13 Å²	13	25.5 Å²	25.5	13%	0.134	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	-147.9	177	0	0	0	0	0	113.7	Y35 R243 N300	Y35-G298 PolarHBondContact OH-N 2.69Å; R243-G298 CarbonylContact O-C 3.53Å; R243-G298 WeakPolarHBondContact O-CA 3.26Å; G298-N300 VanDerWaalsContact C-N 3.34Å; G298-N300 PolarHBondContact O-N 3.09Å; G298-N300 VanDerWaalsContact O-N 3.08Å
299	E	97.8	Very high	96.5	Very high	63 Å²	63	29.3 Å²	29.3	29%	0.294	16%	0.157	S	C	.	.	B	Isolated β-bridge	trans	-84.8	74.9	178.1	-60.5	-171.3	101.8	0	0	110	Y242 R243 G301 Y302	Y242-E299 HydrophobicContact CE1-CG 4.4Å; Y242-E299 PolarHBondContact OH-OE2 3.45Å; R243-E299 PolarHBondContact O-N 2.77Å; E299-G301 VanDerWaalsContact C-N 3.33Å; E299-G301 PolarHBondContact O-N 2.81Å; E299-Y302 PolarHBondContact N-O 3.39Å; E299-Y302 WeakPolarHBondContact O-CB 3.42Å; E299-Y302 PolarHBondContact O-N 3.26Å
300	N	97	Very high	96.1	Very high	125 Å²	125	30 Å²	30	67%	0.668	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	39.6	-174	-64.7	-56	0	0	0	113.6	K295 G298	K295-N300 CarbonylContact O-C 3.53Å; K295-N300 WeakPolarHBondContact O-CA 3.31Å; G298-N300 VanDerWaalsContact C-N 3.34Å; G298-N300 PolarHBondContact O-N 3.09Å; G298-N300 VanDerWaalsContact O-N 3.08Å
301	G	98	Very high	95.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	4.2	-176.7	0	0	0	0	0	115.3	N291 G294 W297 E299	N291-G301 PolarHBondContact N-O 2.76Å; G294-G301 WeakPolarHBondContact O-CA 3.45Å; W297-G301 WeakPolarHBondContact O-CA 3.04Å; W297-G301 PolarHBondContact O-N 3.18Å; E299-G301 VanDerWaalsContact C-N 3.33Å; E299-G301 PolarHBondContact O-N 2.81Å
302	Y	98.7	Very high	95.1	Very high	22 Å²	22	31 Å²	31	9%	0.086	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	157.1	176.7	-64.7	-95.5	0	0	0	111.5	R94 V105 V276 I288 V289 K290 E299	R94-Y302 HydrophobicContact CG-CE1 4.43Å; V105-Y302 HydrophobicContact CG2-CD2 4.06Å; V105-Y302 HydrophobicContact CG2-CE2 3.45Å; V105-Y302 VanDerWaalsContact CG2-CE2 3.45Å; V276-Y302 HydrophobicContact CG2-CD1 4.36Å; V276-Y302 HydrophobicContact CG2-CE1 4.03Å; I288-Y302 HydrophobicContact CG2-CD1 4.36Å; V289-Y302 CarbonylContact O-C 3.54Å; V289-Y302 VanDerWaalsContact O-CA 3.24Å; V289-Y302 WeakPolarHBondContact O-CA 3.26Å; V289-Y302 WeakPolarHBondContact O-CD1 3.48Å; K290-Y302 HydrophobicContact CB-CD1 3.96Å; K290-Y302 HydrophobicContact CB-CE1 3.58Å; K290-Y302 HydrophobicContact CD-CE1 4.4Å; K290-Y302 HydrophobicContact CG-CD1 4.42Å; K290-Y302 HydrophobicContact CG-CE1 3.81Å; E299-Y302 PolarHBondContact N-O 3.39Å; E299-Y302 WeakPolarHBondContact O-CB 3.42Å; E299-Y302 PolarHBondContact O-N 3.26Å
303	V	98.5	Very high	94.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139	171.3	55.2	0	0	0	0	109.4	F239 Y242 Y247 V289 W297 I305	F239-V303 HydrophobicContact CE2-CG1 4.09Å; F239-V303 HydrophobicContact CE2-CG2 4.09Å; F239-V303 HydrophobicContact CZ-CG1 4Å; Y242-V303 HydrophobicContact CD1-CB 3.89Å; Y242-V303 HydrophobicContact CD1-CG2 3.74Å; Y242-V303 HydrophobicContact CD2-CG2 4.04Å; Y242-V303 HydrophobicContact CE1-CB 3.6Å; Y242-V303 HydrophobicContact CE1-CG2 3.56Å; Y242-V303 HydrophobicContact CE2-CG2 3.85Å; Y242-V303 HydrophobicContact CG-CG2 3.97Å; Y247-V303 HydrophobicContact CG-CG2 4.45Å; V289-V303 HydrophobicContact CB-CG1 3.86Å; V289-V303 WeakPolarHBondContact CB-O 3.43Å; V289-V303 HydrophobicContact CG1-CG1 4.23Å; V289-V303 PolarHBondContact N-O 2.62Å; V289-V303 PolarHBondContact O-N 2.7Å; W297-V303 HydrophobicContact CH2-CB 3.81Å; W297-V303 HydrophobicContact CH2-CG1 3.94Å; W297-V303 HydrophobicContact CH2-CG2 4.44Å; W297-V303 HydrophobicContact CZ3-CB 4.07Å; W297-V303 HydrophobicContact CZ3-CG1 4.2Å; V303-I305 HydrophobicContact CG1-CD1 4.04Å; V303-I305 HydrophobicContact CG1-CG1 4.01Å; V303-I305 HydrophobicContact CG2-CG1 3.81Å
304	K	98.7	Very high	94.3	Very high	31 Å²	31	30.6 Å²	30.6	14%	0.135	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.1	164.5	-61.2	171.1	-178	170.6	0	108.5	Y242 G245 I246 Y247 E281 Y286 W287	Y242-K304 PolarHBondContact OH-N 2.82Å; G245-K304 WeakPolarHBondContact O-CB 3.31Å; I246-K304 CarbonylContact C-O 3.52Å; I246-K304 HydrophobicContact CG1-CB 4.37Å; I246-K304 HydrophobicContact CG1-CD 4.4Å; Y247-K304 WeakPolarHBondContact CB-O 3.26Å; Y247-K304 PolarHBondContact N-O 3.2Å; E281-K304 IonicContact OE2-NZ 3.09Å; E281-K304 PolarHBondContact OE2-NZ 3.4Å; Y286-K304 HydrophobicContact CD2-CB 3.79Å; Y286-K304 HydrophobicContact CD2-CD 3.86Å; Y286-K304 HydrophobicContact CD2-CG 3.64Å; Y286-K304 HydrophobicContact CE1-CD 4.45Å; Y286-K304 HydrophobicContact CE2-CD 3.79Å; Y286-K304 HydrophobicContact CE2-CG 3.86Å; Y286-K304 HydrophobicContact CG-CB 4.05Å; Y286-K304 HydrophobicContact CG-CD 4.23Å; Y286-K304 HydrophobicContact CG-CG 4.27Å; W287-K304 CarbonylContact O-C 3.58Å; W287-K304 WeakPolarHBondContact O-CA 3.44Å
305	I	98.2	Very high	94.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.1	178.6	-62.3	-176.9	0	0	0	109.4	I233 F239 Y247 Y286 W287 V289 V303 R307 E311 I314	I233-I305 HydrophobicContact CD1-CD1 4.19Å; I233-I305 HydrophobicContact CG2-CD1 4.46Å; F239-I305 HydrophobicContact CE2-CD1 4.12Å; Y247-I305 HydrophobicContact CD1-CG1 4.36Å; Y286-I305 CarbonylContact C-O 3.51Å; Y286-I305 WeakPolarHBondContact CA-O 3.15Å; Y286-I305 WeakPolarHBondContact CB-O 3.05Å; W287-I305 PolarHBondContact N-O 3.04Å; W287-I305 PolarHBondContact O-N 3.01Å; V289-I305 HydrophobicContact CG2-CB 4.4Å; V289-I305 HydrophobicContact CG2-CD1 4.11Å; V289-I305 HydrophobicContact CG2-CG1 4.17Å; V303-I305 HydrophobicContact CG1-CD1 4.04Å; V303-I305 HydrophobicContact CG1-CG1 4.01Å; V303-I305 HydrophobicContact CG2-CG1 3.81Å; I305-R307 PolarHBondContact O-N 2.91Å; I305-E311 HydrophobicContact CG2-CB 4Å; I305-E311 HydrophobicContact CG2-CG 4.04Å; I305-I314 HydrophobicContact CB-CD1 4.1Å; I305-I314 HydrophobicContact CD1-CD1 3.98Å; I305-I314 HydrophobicContact CG2-CD1 4.13Å; I305-I314 HydrophobicContact CG2-CG2 4.36Å
306	L	97.4	Very high	93.7	Very high	23 Å²	23	25.5 Å²	25.5	12%	0.12	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	127.5	178	-175.8	66.3	0	0	0	111.3	I246 Y247 H248 T284 T309 E311	I246-L306 HydrophobicContact CG2-CB 4.23Å; I246-L306 HydrophobicContact CG2-CD1 4.3Å; Y247-L306 PolarHBondContact O-N 2.88Å; H248-L306 HydrophobicContact CB-CB 4.28Å; H248-L306 HydrophobicContact CB-CD2 4.1Å; T284-L306 HydrophobicContact CG2-CD1 3.46Å; T284-L306 VanDerWaalsContact CG2-CD1 3.46Å; L306-T309 HydrophobicContact CD2-CG2 4.34Å; L306-T309 WeakPolarHBondContact CD2-OG1 3.5Å; L306-E311 HydrophobicContact CB-CB 3.99Å; L306-E311 HydrophobicContact CB-CG 4.01Å; L306-E311 VanDerWaalsContact O-CB 3.31Å; L306-E311 WeakPolarHBondContact O-CB 3.4Å
307	R	96.9	Very high	93.2	Very high	13 Å²	13	23.6 Å²	23.6	5%	0.049	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	141.7	-174.7	171.2	171	66.1	90.4	-3.7	112.2	E216 G279 K285 Y286 W287 I305	E216-R307 HydrophobicContact CG-CG 3.78Å; E216-R307 WeakPolarHBondContact OE1-CG 3.04Å; E216-R307 IonicContact OE1-CZ 3.92Å; E216-R307 IonicContact OE1-NH1 2.92Å; E216-R307 PolarHBondContact OE1-NH1 3.41Å; G279-R307 PolarHBondContact O-NH2 3.29Å; G279-R307 VanDerWaalsContact O-NH2 3.08Å; K285-R307 HydrophobicContact CB-CB 4.02Å; K285-R307 HydrophobicContact CB-CG 4.35Å; K285-R307 WeakPolarHBondContact CE-O 3.27Å; K285-R307 PolarHBondContact O-N 2.83Å; Y286-R307 PolarHBondContact O-NE 3.39Å; W287-R307 HydrophobicContact CD2-CB 4.28Å; W287-R307 VanDerWaalsContact CD2-CD 3.49Å; W287-R307 HydrophobicContact CD2-CG 3.99Å; W287-R307 HydrophobicContact CG-CB 4.06Å; W287-R307 HydrophobicContact CG-CG 4.29Å; W287-R307 HydrophobicContact CH2-CG 4.38Å; W287-R307 HydrophobicContact CZ2-CG 3.63Å; I305-R307 PolarHBondContact O-N 2.91Å
308	G	92	Very high	93.1	Very high	31 Å²	31	23.6 Å²	23.6	32%	0.32	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	90	6.8	176.3	0	0	0	0	0	115	E216 E315	E216-G308 VanDerWaalsContact CD-CA 3.48Å; E216-G308 WeakPolarHBondContact OE2-CA 3.34Å; G308-E315 WeakPolarHBondContact CA-OE1 3.31Å; G308-E315 PolarHBondContact N-OE1 2.83Å
309	T	90.2	Very high	92.9	Very high	86 Å²	86	23.3 Å²	23.3	53%	0.528	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	8.5	176.5	57.1	0	0	0	0	112.2	L306 E311	L306-T309 HydrophobicContact CD2-CG2 4.34Å; L306-T309 WeakPolarHBondContact CD2-OG1 3.5Å; T309-E311 PolarHBondContact O-N 2.79Å
310	N	89	Confident	92.8	Very high	15 Å²	15	21 Å²	21	8%	0.08	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	42.8	-169	-164.7	35	0	0	0	113	P73 C312 G313 I314 E315 S316	P73-N310 VanDerWaalsContact CD-ND2 3.32Å; P73-N310 WeakPolarHBondContact CD-ND2 3.39Å; P73-N310 HydrophobicContact CG-CB 3.85Å; P73-N310 VanDerWaalsContact CG-CG 3.48Å; N310-C312 PolarHBondContact O-N 3.38Å; N310-G313 PolarHBondContact O-N 3.41Å; N310-G313 WeakPolarHBondContact OD1-CA 3.14Å; N310-G313 PolarHBondContact OD1-O 2.97Å; N310-I314 PolarHBondContact OD1-N 3.11Å; N310-E315 WeakPolarHBondContact CA-OE2 3.37Å; N310-E315 HydrophobicContact CB-CB 4.36Å; N310-E315 PolarHBondContact N-OE2 3.33Å; N310-E315 WeakPolarHBondContact OD1-CA 3.3Å; N310-E315 VanDerWaalsContact OD1-CB 3.32Å; N310-E315 WeakPolarHBondContact OD1-CB 3.5Å; N310-E315 PolarHBondContact OD1-N 2.89Å; N310-S316 PolarHBondContact ND2-OG 3.09Å; N310-S316 PolarHBondContact OD1-N 3.05Å; N310-S316 PolarHBondContact OD1-OG 3.42Å
311	E	90.2	Very high	92.7	Very high	33 Å²	33	15 Å²	15	15%	0.154	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-57.8	128.1	-177.7	-172.1	61.4	-150.4	0	0	110.3	H248 H249 I305 L306 T309 G313 I314	H248-E311 WeakPolarHBondContact CA-OE1 3.45Å; H248-E311 HydrophobicContact CB-CG 4.21Å; H249-E311 PolarHBondContact N-OE1 2.74Å; I305-E311 HydrophobicContact CG2-CB 4Å; I305-E311 HydrophobicContact CG2-CG 4.04Å; L306-E311 HydrophobicContact CB-CB 3.99Å; L306-E311 HydrophobicContact CB-CG 4.01Å; L306-E311 VanDerWaalsContact O-CB 3.31Å; L306-E311 WeakPolarHBondContact O-CB 3.4Å; T309-E311 PolarHBondContact O-N 2.79Å; E311-G313 PolarHBondContact O-N 3.02Å; E311-I314 WeakPolarHBondContact O-CB 3.3Å; E311-I314 WeakPolarHBondContact O-CG2 3.36Å; E311-I314 PolarHBondContact O-N 3.09Å; E311-I314 VanDerWaalsContact O-N 3.12Å
312	C	84.2	Confident	92.5	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.02	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	54.6	21.6	-175.5	-55.5	0	0	0	0	114.6	W70 I233 Q234 Y236 N310 I314	W70-C312 WeakPolarHBondContact CH2-O 3.48Å; W70-C312 VanDerWaalsContact CZ3-O 3.28Å; W70-C312 WeakPolarHBondContact CZ3-O 3.47Å; I233-C312 CarbonylContact C-O 3.05Å; I233-C312 VanDerWaalsContact CA-O 3.29Å; I233-C312 WeakPolarHBondContact CA-O 3.29Å; I233-C312 HydrophobicContact CB-CB 4.28Å; Q234-C312 PolarHBondContact N-O 3.2Å; Y236-C312 HydrophobicContact CE2-CB 4.37Å; N310-C312 PolarHBondContact O-N 3.38Å; C312-I314 VanDerWaalsContact C-N 3.25Å; C312-I314 PolarHBondContact O-N 2.77Å
313	G	83.9	Confident	92.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	75.1	9.2	-179.4	0	0	0	0	0	115.1	W70 N310 E311 E315 S316	W70-G313 VanDerWaalsContact CH2-N 3.33Å; N310-G313 PolarHBondContact O-N 3.41Å; N310-G313 WeakPolarHBondContact OD1-CA 3.14Å; N310-G313 PolarHBondContact OD1-O 2.97Å; E311-G313 PolarHBondContact O-N 3.02Å; G313-E315 PolarHBondContact O-N 3.34Å; G313-S316 WeakPolarHBondContact O-CB 3.36Å; G313-S316 PolarHBondContact O-N 2.81Å
314	I	91.4	Very high	92.2	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24	-172.5	-164.2	174.3	0	0	0	114.2	V231 G232 I233 V275 W287 V289 I305 N310 E311 C312	V231-I314 HydrophobicContact CB-CG1 4.23Å; V231-I314 HydrophobicContact CG2-CD1 4.21Å; V231-I314 HydrophobicContact CG2-CG1 3.63Å; G232-I314 WeakPolarHBondContact O-CA 3.46Å; I233-I314 HydrophobicContact CG2-CB 3.75Å; I233-I314 HydrophobicContact CG2-CD1 4.08Å; I233-I314 HydrophobicContact CG2-CG1 3.66Å; V275-I314 HydrophobicContact CG2-CD1 4.25Å; W287-I314 HydrophobicContact CB-CD1 4.25Å; W287-I314 HydrophobicContact CG-CD1 4.28Å; V289-I314 HydrophobicContact CG2-CD1 3.74Å; I305-I314 HydrophobicContact CB-CD1 4.1Å; I305-I314 HydrophobicContact CD1-CD1 3.98Å; I305-I314 HydrophobicContact CG2-CD1 4.13Å; I305-I314 HydrophobicContact CG2-CG2 4.36Å; N310-I314 PolarHBondContact OD1-N 3.11Å; E311-I314 WeakPolarHBondContact O-CB 3.3Å; E311-I314 WeakPolarHBondContact O-CG2 3.36Å; E311-I314 PolarHBondContact O-N 3.09Å; E311-I314 VanDerWaalsContact O-N 3.12Å; C312-I314 VanDerWaalsContact C-N 3.25Å; C312-I314 PolarHBondContact O-N 2.77Å
315	E	91.7	Very high	91.8	Very high	8 Å²	8	13.8 Å²	13.8	4%	0.037	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-7.8	-176.3	-53.2	175.3	160	0	0	112.4	P73 S214 I219 W287 G308 N310 G313	P73-E315 HydrophobicContact CG-CB 4.07Å; S214-E315 CarbonylContact C-O 3.13Å; S214-E315 VanDerWaalsContact C-O 3.28Å; S214-E315 VanDerWaalsContact O-O 3.1Å; S214-E315 PolarHBondContact OG-O 3.29Å; I219-E315 HydrophobicContact CD1-CB 4.17Å; I219-E315 HydrophobicContact CD1-CG 4.43Å; W287-E315 PolarHBondContact NE1-OE1 2.94Å; G308-E315 WeakPolarHBondContact CA-OE1 3.31Å; G308-E315 PolarHBondContact N-OE1 2.83Å; N310-E315 WeakPolarHBondContact CA-OE2 3.37Å; N310-E315 HydrophobicContact CB-CB 4.36Å; N310-E315 PolarHBondContact N-OE2 3.33Å; N310-E315 WeakPolarHBondContact OD1-CA 3.3Å; N310-E315 VanDerWaalsContact OD1-CB 3.32Å; N310-E315 WeakPolarHBondContact OD1-CB 3.5Å; N310-E315 PolarHBondContact OD1-N 2.89Å; G313-E315 PolarHBondContact O-N 3.34Å
316	S	85	Confident	90.7	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.021	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-31.7	-178.2	-71.3	0	0	0	0	113.5	P71 S214 N310 G313	P71-S316 PolarHBondContact O-OG 3.45Å; S214-S316 PolarHBondContact OG-O 2.97Å; S214-S316 VanDerWaalsContact OG-O 3.08Å; N310-S316 PolarHBondContact ND2-OG 3.09Å; N310-S316 PolarHBondContact OD1-N 3.05Å; N310-S316 PolarHBondContact OD1-OG 3.42Å; G313-S316 WeakPolarHBondContact O-CB 3.36Å; G313-S316 PolarHBondContact O-N 2.81Å
317	L	86.2	Confident	89.3	Confident	24 Å²	24	21.1 Å²	21.1	13%	0.126	12%	0.119	C	C	.	.			trans	-142.7	101.7	-176.2	-67.2	173.9	0	0	0	110.9	Y211 S214 V231 G232 V269	Y211-L317 HydrophobicContact CD1-CD2 4.04Å; Y211-L317 HydrophobicContact CD2-CD2 3.55Å; Y211-L317 HydrophobicContact CE1-CD2 3.89Å; Y211-L317 HydrophobicContact CE2-CD1 3.76Å; Y211-L317 HydrophobicContact CE2-CD2 3.38Å; Y211-L317 HydrophobicContact CE2-CG 4.23Å; Y211-L317 HydrophobicContact CG-CD2 3.89Å; Y211-L317 WeakPolarHBondContact OH-CD1 3.41Å; S214-L317 PolarHBondContact OG-N 2.85Å; V231-L317 VanDerWaalsContact CA-O 3.28Å; V231-L317 WeakPolarHBondContact CA-O 3.42Å; G232-L317 PolarHBondContact N-O 3.35Å; G232-L317 VanDerWaalsContact N-O 3.16Å; V269-L317 HydrophobicContact CG2-CD1 3.82Å
318	A	92.8	Very high	87.4	Confident	1 Å²	1	21.1 Å²	21.1	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.2	172.1	0	0	0	0	0	111.2	Y206 V207 S214 I219 A230 V231	Y206-A318 WeakPolarHBondContact CA-O 3.32Å; V207-A318 HydrophobicContact CB-CB 3.83Å; V207-A318 HydrophobicContact CG2-CB 3.78Å; V207-A318 PolarHBondContact N-O 2.87Å; S214-A318 PolarHBondContact OG-N 3.02Å; I219-A318 HydrophobicContact CD1-CB 3.74Å; I219-A318 HydrophobicContact CG1-CB 3.63Å; A230-A318 CarbonylContact O-C 3.37Å; A230-A318 WeakPolarHBondContact O-CA 3.48Å; V231-A318 HydrophobicContact CG1-CB 3.8Å
319	F	94	Very high	85.5	Confident	7 Å²	7	26.8 Å²	26.8	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.1	-175.3	170.7	-96.2	0	0	0	110.8	P159 F160 A163 Y204 Q205 V229 A230	P159-F319 HydrophobicContact CB-CD1 4.17Å; F160-F319 HydrophobicContact CB-CD2 3.92Å; F160-F319 HydrophobicContact CB-CE2 3.99Å; F160-F319 AromaticContact CD2-CD2 3.57Å; F160-F319 HydrophobicContact CD2-CD2 3.57Å; F160-F319 AromaticContact CD2-CE2 3.47Å; F160-F319 HydrophobicContact CD2-CE2 3.47Å; F160-F319 VanDerWaalsContact CD2-CE2 3.47Å; F160-F319 HydrophobicContact CE2-CE2 4.2Å; F160-F319 HydrophobicContact CG-CD2 4.14Å; F160-F319 AromaticContact CG-CE2 3.95Å; F160-F319 HydrophobicContact CG-CE2 3.95Å; A163-F319 HydrophobicContact CB-CD1 4.48Å; A163-F319 HydrophobicContact CB-CE1 3.57Å; A163-F319 HydrophobicContact CB-CZ 4.34Å; Y204-F319 HydrophobicContact CD2-CE2 4.07Å; Y204-F319 HydrophobicContact CD2-CZ 4.34Å; Y204-F319 HydrophobicContact CG-CE2 4.5Å; Y204-F319 HydrophobicContact CG-CZ 4.44Å; Q205-F319 WeakPolarHBondContact O-CD2 3.32Å; V229-F319 WeakPolarHBondContact CB-O 3.46Å; A230-F319 HydrophobicContact CB-CD1 4.43Å; A230-F319 PolarHBondContact N-O 3.29Å; A230-F319 PolarHBondContact O-N 3.09Å
320	E	94.3	Very high	83.4	Confident	13 Å²	13	30.1 Å²	30.1	6%	0.061	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153.2	175.1	70.2	174.9	147.6	0	0	112.6	R126 Y204 Q205 V207 N226 V229	R126-E320 IonicContact CZ-OE2 3.58Å; R126-E320 IonicContact NH1-OE2 3.6Å; R126-E320 PolarHBondContact NH1-OE2 3.36Å; R126-E320 IonicContact NH2-OE2 2.88Å; R126-E320 PolarHBondContact NH2-OE2 3.28Å; Y204-E320 VanDerWaalsContact CA-O 3.28Å; Y204-E320 WeakPolarHBondContact CA-O 3.27Å; Q205-E320 HydrophobicContact CG-CG 4.04Å; Q205-E320 PolarHBondContact N-O 2.94Å; Q205-E320 PolarHBondContact O-N 3.37Å; V207-E320 HydrophobicContact CG2-CB 4.45Å; V207-E320 HydrophobicContact CG2-CG 4.34Å; N226-E320 PolarHBondContact ND2-OE2 3.38Å; N226-E320 VanDerWaalsContact ND2-OE2 3.07Å; V229-E320 HydrophobicContact CG1-CB 4.03Å
321	S	95.5	Very high	81.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	156.1	176.7	179.4	0	0	0	0	109.3	R126 A163 A201	R126-S321 WeakPolarHBondContact CD-O 3.37Å; R126-S321 PolarHBondContact NH1-O 3.19Å; A163-S321 WeakPolarHBondContact O-CB 3.35Å; A163-S321 PolarHBondContact O-OG 2.91Å; A201-S321 WeakPolarHBondContact CB-OG 3.47Å
322	T	94.9	Very high	78.7	Confident	4 Å²	4	42.5 Å²	42.5	3%	0.025	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.3	-175.2	-49.4	0	0	0	0	110.7	L130 A201 T202 L396 I402	L130-T322 HydrophobicContact CD1-CG2 4.11Å; A201-T322 CarbonylContact C-O 3.49Å; A201-T322 VanDerWaalsContact CA-O 3.24Å; A201-T322 WeakPolarHBondContact CA-O 3.35Å; A201-T322 WeakPolarHBondContact CB-O 3.22Å; T202-T322 PolarHBondContact N-O 3.49Å; T202-T322 PolarHBondContact O-N 2.93Å; T322-L396 HydrophobicContact CG2-CD1 3.53Å; T322-I402 HydrophobicContact CG2-CD1 3.71Å
323	P	95.7	Very high	76.7	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.019	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	139.6	171.2	-18.7	29.2	0	0	0	112.2	L123 R126 Y127 L130 Q394	L123-P323 HydrophobicContact CB-CG 4.38Å; L123-P323 HydrophobicContact CD2-CG 3.92Å; L123-P323 WeakPolarHBondContact O-CG 3.34Å; R126-P323 HydrophobicContact CB-CG 3.92Å; Y127-P323 HydrophobicContact CD2-CB 3.59Å; Y127-P323 HydrophobicContact CD2-CG 4.3Å; Y127-P323 HydrophobicContact CE2-CB 4.24Å; Y127-P323 HydrophobicContact CG-CB 4.45Å; L130-P323 HydrophobicContact CD1-CB 4.36Å; L130-P323 HydrophobicContact CD1-CG 4.29Å; P323-Q394 PolarHBondContact O-NE2 3.28Å; P323-Q394 PolarHBondContact O-OE1 2.84Å
324	I	93.7	Very high	74.5	Confident	22 Å²	22	54.2 Å²	54.2	11%	0.113	28%	0.277	C	S	.	.			trans	-82.9	133	173.6	-60.5	163.4	0	0	0	108.4	Y200 T202 P326 G406	Y200-I324 PolarHBondContact O-N 2.93Å; T202-I324 HydrophobicContact CG2-CD1 4.2Å; T202-I324 HydrophobicContact CG2-CG1 3.79Å; I324-P326 WeakPolarHBondContact O-CD 3.48Å; I324-G406 VanDerWaalsContact CD1-CA 3.45Å
325	I	90	Very high	72.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.295	C	S	.	.			trans	-103.9	98.6	176.7	-52.1	-54.6	0	0	0	108.9	Y127 L130 T131 K327 M328 V392 Q394	Y127-I325 HydrophobicContact CD1-CD1 4.3Å; Y127-I325 HydrophobicContact CD2-CD1 4Å; Y127-I325 HydrophobicContact CE1-CD1 4Å; Y127-I325 HydrophobicContact CE2-CD1 3.65Å; Y127-I325 HydrophobicContact CG-CD1 4.29Å; L130-I325 HydrophobicContact CB-CD1 4.15Å; L130-I325 HydrophobicContact CB-CG1 4.13Å; L130-I325 HydrophobicContact CD1-CD1 4.46Å; T131-I325 HydrophobicContact CG2-CD1 3.8Å; T131-I325 HydrophobicContact CG2-CG1 4.49Å; T131-I325 HydrophobicContact CG2-CG2 4.39Å; I325-K327 PolarHBondContact O-N 2.91Å; I325-M328 HydrophobicContact CG2-CG 4.11Å; I325-V392 HydrophobicContact CB-CG1 4.06Å; I325-V392 HydrophobicContact CG2-CG1 4Å; I325-Q394 HydrophobicContact CG1-CG 4.42Å
326	P	76.3	Confident	69.5	Low	63 Å²	63	63.9 Å²	63.9	41%	0.409	33%	0.327	S	S	.	.			trans	-73	-30.7	-164.8	27.3	-34.6	0	0	0	114.2	I324 S404	I324-P326 WeakPolarHBondContact O-CD 3.48Å; P326-S404 WeakPolarHBondContact CA-O 3.12Å; P326-S404 VanDerWaalsContact O-CB 3.23Å; P326-S404 WeakPolarHBondContact O-CB 3.33Å
327	K	67.5	Low	67.1	Low	113 Å²	113	70.5 Å²	70.5	49%	0.491	36%	0.361	S	S	.	.			trans	173.4	138.4	170.2	-97.6	150.4	-170.7	-173.2	0	106	I325	I325-K327 PolarHBondContact O-N 2.91Å
328	M	57	Low	64.6	Low	14 Å²	14	76.9 Å²	76.9	7%	0.069	40%	0.395	C	S	.	.			trans	-89.8	134.8	166.7	-63	-176.4	87.7	0	0	107.8	T131 E134 E135 I325 Q330 I470	T131-M328 HydrophobicContact CG2-CE 4.05Å; T131-M328 HydrophobicContact CG2-SD 4.46Å; E134-M328 HydrophobicContact CB-CE 3.63Å; E134-M328 HydrophobicContact CG-CE 4.24Å; E134-M328 WeakPolarHBondContact OE2-CE 3.36Å; E135-M328 HydrophobicContact CG-CE 4.45Å; I325-M328 HydrophobicContact CG2-CG 4.11Å; M328-Q330 PolarHBondContact O-N 2.96Å; M328-I470 HydrophobicContact SD-CD1 3.51Å; M328-I470 VanDerWaalsContact SD-CD1 3.51Å; M328-I470 HydrophobicContact SD-CG2 4.19Å
329	D	53	Low	61.7	Low	150 Å²	150	83.3 Å²	83.3	80%	0.802	43%	0.428	S	S	*	.			trans	-45.7	133.9	-178.5	-81.6	-35.2	0	0	0	111.3	E331	D329-E331 PolarHBondContact O-N 3.21Å
330	Q	45.6	Very low	58.8	Low	155 Å²	155	89.6 Å²	89.6	72%	0.724	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-2.4	-170.1	-96.1	-176.7	-29.3	0	0	114.5	M328 V332	M328-Q330 PolarHBondContact O-N 2.96Å; Q330-V332 PolarHBondContact O-N 2.67Å
331	E	41.4	Very low	55.8	Low	184 Å²	184	95.3 Å²	95.3	86%	0.86	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-5.7	-164	-69.3	-148.3	149.8	0	0	115.9	D329	D329-E331 PolarHBondContact O-N 3.21Å
332	V	38.2	Very low	52.9	Low	124 Å²	124	103.1 Å²	103.1	75%	0.752	53%	0.526	S	S	*	.			trans	-136.3	70.2	-176.2	-162.4	0	0	0	0	113.4	Q330	Q330-V332 PolarHBondContact O-N 2.67Å
333	V	42.3	Very low	49.9	Very low	68 Å²	68	112.1 Å²	112.1	41%	0.412	56%	0.561	S	S	.	*			trans	-145.1	79	149.2	-162.7	0	0	0	0	110	I335	V333-I335 HydrophobicContact CG1-CG1 3.71Å; V333-I335 PolarHBondContact O-N 2.93Å; V333-I335 VanDerWaalsContact O-N 3.13Å
334	H	39.1	Very low	46.9	Very low	182 Å²	182	118.7 Å²	118.7	84%	0.843	61%	0.605	S	S	*	*			trans	-65.2	108.2	145.3	-80.8	-32.9	0	0	0	106.4	L336	H334-L336 PolarHBondContact O-N 3.25Å
335	I	40.7	Very low	44.2	Very low	76 Å²	76	120.1 Å²	120.1	39%	0.39	62%	0.617	S	S	.	*			trans	-61.9	93.3	166.4	-67.2	174.1	0	0	0	105	V333 L337 D385	V333-I335 HydrophobicContact CG1-CG1 3.71Å; V333-I335 PolarHBondContact O-N 2.93Å; V333-I335 VanDerWaalsContact O-N 3.13Å; I335-L337 PolarHBondContact O-N 2.78Å; I335-L337 VanDerWaalsContact O-N 3.08Å; I335-D385 WeakPolarHBondContact CD1-OD1 3.4Å
336	L	37	Very low	41.7	Very low	136 Å²	136	125.6 Å²	125.6	71%	0.712	66%	0.656	S	S	*	*			trans	-58.4	116.7	-176.7	-93	156.4	0	0	0	108.4	H334 L338	H334-L336 PolarHBondContact O-N 3.25Å; L336-L338 PolarHBondContact O-N 3.24Å; L336-L338 VanDerWaalsContact O-N 3.1Å
337	L	34.6	Very low	39.9	Very low	141 Å²	141	124.7 Å²	124.7	74%	0.738	65%	0.649	S	S	*	*			trans	-39.8	112.3	168.9	-82.5	97.6	0	0	0	110.8	I335 L339	I335-L337 PolarHBondContact O-N 2.78Å; I335-L337 VanDerWaalsContact O-N 3.08Å; L337-L339 HydrophobicContact CD2-CG 4.4Å
338	L	32.1	Very low	38.7	Very low	158 Å²	158	120.3 Å²	120.3	83%	0.827	64%	0.636	S	S	*	*			trans	-117.6	103	140	-84.6	163.1	0	0	0	106	L336 L340	L336-L338 PolarHBondContact O-N 3.24Å; L336-L338 VanDerWaalsContact O-N 3.1Å; L338-L340 PolarHBondContact O-N 3.07Å
339	L	32	Very low	38.2	Very low	136 Å²	136	119.7 Å²	119.7	71%	0.712	63%	0.633	S	S	*	*			trans	-49.9	84.4	161.5	-73.9	153.4	0	0	0	109.1	L337	L337-L339 HydrophobicContact CD2-CG 4.4Å
340	L	34.8	Very low	38.2	Very low	140 Å²	140	114.3 Å²	114.3	73%	0.733	60%	0.604	S	S	*	*			trans	-107.6	70.5	155.5	-73.4	168	0	0	0	106.1	L338	L338-L340 PolarHBondContact O-N 3.07Å
341	L	30.9	Very low	39.1	Very low	132 Å²	132	106.9 Å²	106.9	69%	0.691	57%	0.57	S	S	*	*			trans	-49.1	137.9	142	-74.7	159.1	0	0	0	106.7
342	F	33.3	Very low	40.2	Very low	164 Å²	164	99.1 Å²	99.1	72%	0.719	54%	0.535	S	S	*	.			trans	118.7	117.9	162.9	-72.2	-78.4	0	0	0	117.5
343	Y	33.5	Very low	41.9	Very low	193 Å²	193	93.3 Å²	93.3	76%	0.757	50%	0.5	S	S	*	.			trans	78	105.5	159.6	-58.8	-69.1	0	0	0	118.9	S345	Y343-S345 PolarHBondContact O-N 3.04Å; Y343-S345 PolarHBondContact O-OG 2.89Å
344	C	31	Very low	43.6	Very low	141 Å²	141	91.6 Å²	91.6	95%	0.953	49%	0.489	S	S	*	.			trans	-27.9	99.8	143.2	-100.2	0	0	0	0	110.4
345	S	38.3	Very low	45.6	Very low	53 Å²	53	83 Å²	83	37%	0.371	45%	0.449	S	S	.	.			trans	-96.7	108	168.9	-5.8	0	0	0	0	106	Y343 T347	Y343-S345 PolarHBondContact O-N 3.04Å; Y343-S345 PolarHBondContact O-OG 2.89Å; S345-T347 PolarHBondContact O-N 3.26Å; S345-T347 VanDerWaalsContact O-N 3.16Å
346	S	37.9	Very low	47.5	Very low	115 Å²	115	82 Å²	82	80%	0.804	45%	0.448	S	S	*	.			trans	-45.3	120.3	161.3	50.9	0	0	0	0	108.5	G348	S346-G348 PolarHBondContact O-N 2.96Å
347	T	37.7	Very low	49.6	Very low	43 Å²	43	77 Å²	77	26%	0.264	42%	0.421	S	S	.	.			trans	-62.5	106.3	176.2	46	0	0	0	0	108.9	S345 Q640	S345-T347 PolarHBondContact O-N 3.26Å; S345-T347 VanDerWaalsContact O-N 3.16Å; T347-Q640 VanDerWaalsContact O-CG 3.31Å; T347-Q640 WeakPolarHBondContact O-CG 3.47Å; T347-Q640 PolarHBondContact O-NE2 3.08Å
348	G	41.9	Very low	51.8	Low	21 Å²	21	73 Å²	73	22%	0.216	40%	0.4	C	S	.	.			trans	-73.9	147.1	163.4	0	0	0	0	0	109.7	S346 T351	S346-G348 PolarHBondContact O-N 2.96Å; G348-T351 VanDerWaalsContact C-N 3.35Å; G348-T351 WeakPolarHBondContact O-CA 3.44Å; G348-T351 WeakPolarHBondContact O-CG2 3.29Å; G348-T351 PolarHBondContact O-N 3.25Å
349	A	47.5	Very low	54.3	Low	2 Å²	2	67.4 Å²	67.4	2%	0.017	37%	0.37	C	S	.	.	S	Bend	trans	-79.9	-37.7	172.8	0	0	0	0	0	108.3	T351 Q417 Q640 F646	A349-T351 PolarHBondContact O-N 3.43Å; A349-Q417 VanDerWaalsContact O-CD 3.24Å; A349-Q417 VanDerWaalsContact O-CG 3.22Å; A349-Q417 WeakPolarHBondContact O-CG 3.2Å; A349-Q417 PolarHBondContact O-OE1 3.47Å; A349-Q417 VanDerWaalsContact O-OE1 3.11Å; A349-Q640 VanDerWaalsContact CA-OE1 3.31Å; A349-F646 HydrophobicContact CB-CD2 3.94Å; A349-F646 HydrophobicContact CB-CE2 3.58Å; A349-F646 HydrophobicContact CB-CZ 4.3Å; A349-F646 VanDerWaalsContact O-CE2 3.23Å; A349-F646 WeakPolarHBondContact O-CE2 3.22Å
350	D	52.2	Low	57	Low	36 Å²	36	60.9 Å²	60.9	19%	0.193	34%	0.336	C	S	.	.	S	Bend	trans	-70.9	72.6	143.6	-76.4	-50	0	0	0	107.5	K552 S553	D350-K552 HydrophobicContact CB-CB 4.15Å; D350-K552 WeakPolarHBondContact CB-O 3.49Å; D350-K552 VanDerWaalsContact CG-O 3.24Å; D350-S553 WeakPolarHBondContact OD2-CA 2.96Å; D350-S553 PolarHBondContact OD2-N 2.73Å; D350-S553 VanDerWaalsContact OD2-N 3.09Å
351	T	63.7	Low	59.6	Low	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.309	C	S	.	.			trans	-57	150.9	157	81.1	0	0	0	0	105.2	G348 A349 S353 Q417 F431 W434	G348-T351 VanDerWaalsContact C-N 3.35Å; G348-T351 WeakPolarHBondContact O-CA 3.44Å; G348-T351 WeakPolarHBondContact O-CG2 3.29Å; G348-T351 PolarHBondContact O-N 3.25Å; A349-T351 PolarHBondContact O-N 3.43Å; T351-S353 PolarHBondContact O-N 2.86Å; T351-S353 WeakPolarHBondContact OG1-CA 3.42Å; T351-S353 WeakPolarHBondContact OG1-CB 3.31Å; T351-S353 PolarHBondContact OG1-N 3.24Å; T351-Q417 VanDerWaalsContact CA-OE1 3.31Å; T351-Q417 VanDerWaalsContact CB-OE1 3.26Å; T351-Q417 PolarHBondContact O-OE1 2.87Å; T351-Q417 PolarHBondContact OG1-OE1 3.21Å; T351-F431 HydrophobicContact CG2-CB 4.34Å; T351-F431 HydrophobicContact CG2-CD1 3.88Å; T351-F431 HydrophobicContact CG2-CE1 4.34Å; T351-F431 HydrophobicContact CG2-CG 4.06Å; T351-W434 HydrophobicContact CG2-CE3 4.17Å; T351-W434 HydrophobicContact CG2-CH2 3.41Å; T351-W434 VanDerWaalsContact CG2-CH2 3.41Å; T351-W434 HydrophobicContact CG2-CZ2 4.24Å; T351-W434 HydrophobicContact CG2-CZ3 3.38Å
352	P	66.3	Low	62.4	Low	21 Å²	21	49.8 Å²	49.8	14%	0.136	29%	0.285	C	S	.	.	S	Bend	trans	-62	-5	170.6	-19.8	30.3	0	0	0	114.1	W434 A442	P352-W434 HydrophobicContact CB-CG 4.1Å; P352-W434 HydrophobicContact CG-CG 4.25Å; P352-A442 HydrophobicContact CB-CB 3.03Å; P352-A442 HydrophobicContact CG-CB 3.99Å
353	S	73.8	Confident	65.2	Low	1 Å²	1	42.4 Å²	42.4	1%	0.007	25%	0.254	C	S	.	.			trans	-65.5	148.5	172.8	-161.2	0	0	0	0	112.1	T351 Q417 T432	T351-S353 PolarHBondContact O-N 2.86Å; T351-S353 WeakPolarHBondContact OG1-CA 3.42Å; T351-S353 WeakPolarHBondContact OG1-CB 3.31Å; T351-S353 PolarHBondContact OG1-N 3.24Å; S353-Q417 PolarHBondContact O-NE2 2.94Å; S353-Q417 PolarHBondContact O-OE1 3.48Å; S353-T432 WeakPolarHBondContact CB-OG1 3.4Å; S353-T432 PolarHBondContact OG-OG1 2.77Å
354	N	76.9	Confident	68	Low	33 Å²	33	33.2 Å²	33.2	18%	0.176	22%	0.218	C	C	.	.			trans	-159.2	90.7	179.9	-173.8	-14.6	0	0	0	106.9	N416 S444 R554 Y556	N354-N416 WeakPolarHBondContact CA-O 3.24Å; N354-N416 PolarHBondContact ND2-ND2 2.89Å; N354-N416 PolarHBondContact OD1-ND2 3.44Å; N354-S444 PolarHBondContact N-OG 2.89Å; N354-S444 WeakPolarHBondContact O-CB 3.22Å; N354-S444 PolarHBondContact O-OG 2.99Å; N354-R554 PolarHBondContact ND2-O 3.19Å; N354-Y556 WeakPolarHBondContact ND2-CD2 3.17Å; N354-Y556 WeakPolarHBondContact ND2-CE2 3.48Å
355	C	80.7	Confident	70.9	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.007	18%	0.177	C	C	.	.			trans	-117	132.4	-178.4	-64.6	0	0	0	0	110.4	V360 N416 T432 C446	C355-V360 HydrophobicContact CB-CG2 3.83Å; C355-N416 PolarHBondContact N-O 3.47Å; C355-N416 WeakPolarHBondContact O-CA 3.17Å; C355-N416 WeakPolarHBondContact O-CB 3.48Å; C355-T432 HydrophobicContact CB-CG2 4.39Å; C355-C446 WeakPolarHBondContact CA-SG 3.42Å; C355-C446 HydrophobicContact CB-CB 3.74Å; C355-C446 WeakPolarHBondContact CB-SG 3Å; C355-C446 WeakPolarHBondContact SG-CA 3.33Å; C355-C446 WeakPolarHBondContact SG-CB 3.34Å; C355-C446 CovalentContact SG-SG 2.04Å; C355-C446 PolarHBondContact SG-SG 3.01Å
356	S	81	Confident	73.6	Confident	55 Å²	55	25.2 Å²	25.2	39%	0.385	16%	0.16	S	C	.	.			trans	-86.1	165	174	64.6	0	0	0	0	111.8	D358 E359 V360	S356-D358 VanDerWaalsContact C-N 3.34Å; S356-D358 PolarHBondContact O-N 3.08Å; S356-E359 WeakPolarHBondContact CB-OE2 3.27Å; S356-E359 PolarHBondContact N-OE2 3.45Å; S356-E359 PolarHBondContact O-N 3.1Å; S356-E359 VanDerWaalsContact O-N 3.1Å; S356-E359 VanDerWaalsContact OG-CD 3.24Å; S356-E359 WeakPolarHBondContact OG-CG 3.31Å; S356-E359 PolarHBondContact OG-OE2 3.46Å; S356-V360 PolarHBondContact O-N 3.34Å
357	F	81.7	Confident	76.2	Confident	32 Å²	32	21 Å²	21	14%	0.14	13%	0.127	C	C	.	.	H	α-helix	trans	-54.2	-49.8	179.1	-171.8	-80.8	0	0	0	111.9	E359 V360 A361 F397 P398 W411 L413	F357-E359 PolarHBondContact O-N 2.95Å; F357-V360 PolarHBondContact O-N 2.77Å; F357-V360 VanDerWaalsContact O-N 3.15Å; F357-A361 HydrophobicContact CD1-CB 3.96Å; F357-A361 HydrophobicContact CE1-CB 3.55Å; F357-A361 HydrophobicContact CZ-CB 4.27Å; F357-A361 VanDerWaalsContact O-CB 3.3Å; F357-A361 WeakPolarHBondContact O-CB 3.34Å; F357-A361 PolarHBondContact O-N 2.94Å; F357-F397 AromaticContact CD1-CD2 3.82Å; F357-F397 HydrophobicContact CD1-CD2 3.82Å; F357-F397 HydrophobicContact CE1-CB 3.63Å; F357-F397 AromaticContact CE1-CD2 3.43Å; F357-F397 HydrophobicContact CE1-CD2 3.43Å; F357-F397 VanDerWaalsContact CE1-CD2 3.43Å; F357-F397 HydrophobicContact CE1-CG 4Å; F357-F397 HydrophobicContact CE2-CD2 4.44Å; F357-F397 HydrophobicContact CZ-CB 3.98Å; F357-F397 AromaticContact CZ-CD2 3.76Å; F357-F397 HydrophobicContact CZ-CD2 3.76Å; F357-F397 HydrophobicContact CZ-CG 4.29Å; F357-P398 WeakPolarHBondContact CE2-O 3.31Å; F357-P398 WeakPolarHBondContact CZ-O 3.5Å; F357-W411 HydrophobicContact CD1-CH2 4.44Å; F357-W411 AromaticContact CD2-CH2 3.69Å; F357-W411 HydrophobicContact CD2-CH2 3.69Å; F357-W411 HydrophobicContact CD2-CZ2 4.14Å; F357-W411 HydrophobicContact CD2-CZ3 4.35Å; F357-W411 HydrophobicContact CE1-CH2 4.04Å; F357-W411 AromaticContact CE1-CZ2 3.79Å; F357-W411 HydrophobicContact CE1-CZ2 3.79Å; F357-W411 AromaticContact CE2-CE2 3.98Å; F357-W411 AromaticContact CE2-CH2 3.26Å; F357-W411 HydrophobicContact CE2-CH2 3.26Å; F357-W411 AromaticContact CE2-CZ2 3.25Å; F357-W411 HydrophobicContact CE2-CZ2 3.25Å; F357-W411 HydrophobicContact CE2-CZ3 4.04Å; F357-W411 HydrophobicContact CG-CH2 4.26Å; F357-W411 AromaticContact CZ-CE2 3.89Å; F357-W411 AromaticContact CZ-CH2 3.46Å; F357-W411 HydrophobicContact CZ-CH2 3.46Å; F357-W411 VanDerWaalsContact CZ-CH2 3.46Å; F357-W411 AromaticContact CZ-CZ2 3.03Å; F357-W411 HydrophobicContact CZ-CZ2 3.03Å; F357-L413 HydrophobicContact CB-CD1 4.2Å
358	D	80	Confident	78.7	Confident	56 Å²	56	19.1 Å²	19.1	30%	0.299	12%	0.115	S	C	.	.	H	α-helix	trans	-64.8	-21	-178.9	-73	-16.4	0	0	0	114.1	H225 S356 K475	H225-D358 IonicContact CE1-OD1 2.87Å; H225-D358 PolarHBondContact CE1-OD1 2.94Å; H225-D358 IonicContact ND1-OD1 3.78Å; H225-D358 PolarHBondContact ND1-OD1 2.97Å; S356-D358 VanDerWaalsContact C-N 3.34Å; S356-D358 PolarHBondContact O-N 3.08Å; D358-K475 IonicContact OD2-NZ 2.62Å
359	E	84.2	Confident	81.1	Confident	40 Å²	40	19 Å²	19	19%	0.187	11%	0.111	C	C	.	.	H	α-helix	trans	-81.3	-37.2	176.4	-71.4	165.6	140.2	0	0	110.8	S356 F357 C446 K469 K475	S356-E359 WeakPolarHBondContact CB-OE2 3.27Å; S356-E359 PolarHBondContact N-OE2 3.45Å; S356-E359 PolarHBondContact O-N 3.1Å; S356-E359 VanDerWaalsContact O-N 3.1Å; S356-E359 VanDerWaalsContact OG-CD 3.24Å; S356-E359 WeakPolarHBondContact OG-CG 3.31Å; S356-E359 PolarHBondContact OG-OE2 3.46Å; F357-E359 PolarHBondContact O-N 2.95Å; E359-C446 HydrophobicContact CB-CB 3.72Å; E359-K469 PolarHBondContact O-NZ 3.42Å; E359-K475 HydrophobicContact CG-CD 4.49Å
360	V	89	Confident	83.1	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-83.3	-42	-179.7	178.3	0	0	0	0	112.2	C355 S356 F357 G362 W364 W411 L413 F419 T432	C355-V360 HydrophobicContact CB-CG2 3.83Å; S356-V360 PolarHBondContact O-N 3.34Å; F357-V360 PolarHBondContact O-N 2.77Å; F357-V360 VanDerWaalsContact O-N 3.15Å; V360-G362 PolarHBondContact O-N 3.16Å; V360-W364 HydrophobicContact CG1-CZ2 4.17Å; V360-W364 PolarHBondContact O-NE1 3.05Å; V360-W411 HydrophobicContact CB-CH2 4.43Å; V360-W411 HydrophobicContact CB-CZ3 4.35Å; V360-W411 HydrophobicContact CG1-CH2 4.2Å; V360-W411 HydrophobicContact CG1-CZ3 3.79Å; V360-L413 HydrophobicContact CB-CD2 3.97Å; V360-L413 HydrophobicContact CG1-CD2 4.1Å; V360-L413 HydrophobicContact CG2-CD2 3.77Å; V360-F419 HydrophobicContact CG1-CD1 3.55Å; V360-F419 HydrophobicContact CG1-CE1 3.98Å; V360-F419 HydrophobicContact CG1-CG 4.21Å; V360-T432 HydrophobicContact CG2-CG2 4.31Å
361	A	89.1	Confident	85	Confident	21 Å²	21	29 Å²	29	17%	0.174	16%	0.156	C	C	.	.			trans	-57	136.3	-178.4	0	0	0	0	0	112.1	F357 L395 W411 K469	F357-A361 HydrophobicContact CD1-CB 3.96Å; F357-A361 HydrophobicContact CE1-CB 3.55Å; F357-A361 HydrophobicContact CZ-CB 4.27Å; F357-A361 VanDerWaalsContact O-CB 3.3Å; F357-A361 WeakPolarHBondContact O-CB 3.34Å; F357-A361 PolarHBondContact O-N 2.94Å; A361-L395 CarbonylContact C-O 3.49Å; A361-L395 WeakPolarHBondContact CA-O 3.13Å; A361-W411 HydrophobicContact CB-CH2 4.04Å; A361-W411 HydrophobicContact CB-CZ2 3.9Å; A361-K469 WeakPolarHBondContact O-CE 3.12Å; A361-K469 PolarHBondContact O-NZ 2.78Å
362	G	90.8	Very high	86.2	Confident	18 Å²	18	31.9 Å²	31.9	19%	0.186	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.3	-165.2	-178.4	0	0	0	0	0	112.2	V360 L395	V360-G362 PolarHBondContact O-N 3.16Å; G362-L395 PolarHBondContact N-O 3.36Å; G362-L395 PolarHBondContact O-N 2.8Å
363	T	92.1	Very high	87.3	Confident	9 Å²	9	33.8 Å²	33.8	6%	0.055	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.8	-178.3	-43.1	0	0	0	0	111.4	L130 V392 M393 Q394 K469 I470	L130-T363 WeakPolarHBondContact O-CB 3.4Å; L130-T363 PolarHBondContact O-OG1 2.68Å; T363-V392 HydrophobicContact CG2-CG1 3.48Å; T363-V392 VanDerWaalsContact CG2-CG1 3.48Å; T363-M393 CarbonylContact C-O 3.54Å; T363-M393 WeakPolarHBondContact CA-O 3.38Å; T363-Q394 HydrophobicContact CG2-CG 4.09Å; T363-K469 WeakPolarHBondContact O-CG 3.3Å; T363-I470 HydrophobicContact CG2-CD1 3.47Å; T363-I470 VanDerWaalsContact CG2-CD1 3.47Å; T363-I470 HydrophobicContact CG2-CG1 4.29Å; T363-I470 PolarHBondContact O-N 2.68Å
364	W	93.2	Very high	88.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.4	-178.4	-70.2	77	0	0	0	111.4	V360 F366 V392 M393 L395 F419 C446 D447 T449 Q468 K469	V360-W364 HydrophobicContact CG1-CZ2 4.17Å; V360-W364 PolarHBondContact O-NE1 3.05Å; W364-F366 HydrophobicContact CB-CD1 3.98Å; W364-F366 HydrophobicContact CB-CE1 3.65Å; W364-F366 HydrophobicContact CD2-CE1 4.47Å; W364-F366 HydrophobicContact CE3-CE1 4.43Å; W364-F366 HydrophobicContact CG-CE1 4.17Å; W364-V392 CarbonylContact O-C 3.46Å; W364-V392 WeakPolarHBondContact O-CA 3.23Å; W364-M393 PolarHBondContact N-O 3.47Å; W364-M393 PolarHBondContact O-N 3.08Å; W364-L395 HydrophobicContact CG-CD1 4.41Å; W364-F419 HydrophobicContact CE3-CZ 4.47Å; W364-F419 HydrophobicContact CH2-CE1 4.13Å; W364-F419 HydrophobicContact CZ2-CE1 4.23Å; W364-F419 HydrophobicContact CZ3-CE1 4.42Å; W364-F419 HydrophobicContact CZ3-CZ 4.46Å; W364-C446 VanDerWaalsContact CH2-O 3.32Å; W364-C446 WeakPolarHBondContact CH2-O 3.14Å; W364-C446 WeakPolarHBondContact CZ2-O 3.17Å; W364-D447 WeakPolarHBondContact CZ3-O 3.49Å; W364-T449 HydrophobicContact CH2-CG2 4.47Å; W364-T449 HydrophobicContact CZ3-CG2 3.93Å; W364-Q468 WeakPolarHBondContact CA-O 3.14Å; W364-K469 HydrophobicContact CD2-CB 3.82Å; W364-K469 HydrophobicContact CD2-CG 4.21Å; W364-K469 HydrophobicContact CE3-CB 4.06Å; W364-K469 HydrophobicContact CG-CB 4.4Å; W364-K469 HydrophobicContact CG-CG 4.42Å; W364-K469 HydrophobicContact CH2-CB 4.07Å; W364-K469 HydrophobicContact CZ2-CB 3.83Å; W364-K469 HydrophobicContact CZ2-CD 4.19Å; W364-K469 HydrophobicContact CZ2-CG 4.21Å; W364-K469 HydrophobicContact CZ3-CB 4.17Å
365	K	91.7	Very high	88.5	Confident	25 Å²	25	37.9 Å²	37.9	11%	0.109	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.1	162.1	-66.9	-179.3	-177.5	-177.8	0	107.8	F367 V390 G467 Q468 I470	K365-F367 HydrophobicContact CB-CE2 3.95Å; K365-F367 HydrophobicContact CB-CZ 4.03Å; K365-V390 HydrophobicContact CB-CG1 4.29Å; K365-G467 WeakPolarHBondContact O-CA 3.32Å; K365-Q468 PolarHBondContact N-O 3.35Å; K365-Q468 PolarHBondContact O-N 3.37Å; K365-I470 HydrophobicContact CG-CD1 4.26Å; K365-I470 HydrophobicContact CG-CG1 4.06Å
366	F	93.3	Very high	88.7	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.7	171.1	-74.5	8.8	0	0	0	108.5	W364 V390 Q391 M393 F419 V421 Y428 F465 A466	W364-F366 HydrophobicContact CB-CD1 3.98Å; W364-F366 HydrophobicContact CB-CE1 3.65Å; W364-F366 HydrophobicContact CD2-CE1 4.47Å; W364-F366 HydrophobicContact CE3-CE1 4.43Å; W364-F366 HydrophobicContact CG-CE1 4.17Å; F366-V390 WeakPolarHBondContact O-CA 3.22Å; F366-Q391 PolarHBondContact N-O 2.91Å; F366-Q391 PolarHBondContact O-N 3.29Å; F366-M393 HydrophobicContact CD1-CG 4.43Å; F366-M393 HydrophobicContact CD2-CG 3.68Å; F366-M393 HydrophobicContact CE1-CB 4.39Å; F366-M393 HydrophobicContact CE2-CB 4.32Å; F366-M393 HydrophobicContact CE2-CG 3.81Å; F366-M393 HydrophobicContact CG-CG 4Å; F366-M393 HydrophobicContact CZ-CB 4.25Å; F366-M393 HydrophobicContact CZ-CG 4.22Å; F366-F419 HydrophobicContact CE1-CE2 4.25Å; F366-F419 HydrophobicContact CE1-CZ 4.25Å; F366-F419 AromaticContact CZ-CE2 3.73Å; F366-F419 HydrophobicContact CZ-CE2 3.73Å; F366-F419 HydrophobicContact CZ-CZ 4.2Å; F366-V421 HydrophobicContact CE2-CB 4.42Å; F366-V421 HydrophobicContact CE2-CG2 4.16Å; F366-V421 HydrophobicContact CZ-CG2 3.99Å; F366-Y428 AromaticContact CD2-CD1 3.82Å; F366-Y428 HydrophobicContact CD2-CD1 3.82Å; F366-Y428 HydrophobicContact CD2-CD2 4.35Å; F366-Y428 HydrophobicContact CD2-CE1 4.19Å; F366-Y428 AromaticContact CD2-CG 3.91Å; F366-Y428 HydrophobicContact CD2-CG 3.91Å; F366-Y428 HydrophobicContact CE2-CD1 4.23Å; F366-Y428 HydrophobicContact CE2-CD2 4.21Å; F366-Y428 AromaticContact CE2-CG 3.85Å; F366-Y428 HydrophobicContact CE2-CG 3.85Å; F366-F465 HydrophobicContact CB-CD2 4.38Å; F366-F465 HydrophobicContact CD1-CE2 4.47Å; F366-F465 HydrophobicContact CD2-CD2 4.05Å; F366-F465 AromaticContact CD2-CE2 4Å; F366-F465 HydrophobicContact CD2-CE2 4Å; F366-F465 HydrophobicContact CE1-CE2 4.49Å; F366-F465 HydrophobicContact CE2-CE2 4.03Å; F366-F465 HydrophobicContact CG-CD2 4.1Å; F366-F465 HydrophobicContact CG-CE2 4.25Å; F366-F465 HydrophobicContact CZ-CE2 4.3Å; F366-A466 WeakPolarHBondContact CA-O 3.4Å
367	F	92.5	Very high	89	Confident	27 Å²	27	44.1 Å²	44.1	12%	0.118	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.9	174.5	-54.5	-94	0	0	0	107.4	K365 F387 V390 F465 A466 Q468	K365-F367 HydrophobicContact CB-CE2 3.95Å; K365-F367 HydrophobicContact CB-CZ 4.03Å; F367-F387 HydrophobicContact CB-CB 3.71Å; F367-F387 HydrophobicContact CB-CD2 4.03Å; F367-F387 HydrophobicContact CB-CG 4.41Å; F367-F387 WeakPolarHBondContact O-CD2 3.44Å; F367-V390 HydrophobicContact CD1-CG2 3.67Å; F367-V390 HydrophobicContact CE1-CG1 4.41Å; F367-V390 HydrophobicContact CE1-CG2 3.91Å; F367-F465 CarbonylContact O-C 3.56Å; F367-F465 WeakPolarHBondContact O-CA 2.91Å; F367-F465 VanDerWaalsContact O-CB 3.31Å; F367-F465 WeakPolarHBondContact O-CB 3.46Å; F367-A466 PolarHBondContact N-O 2.92Å; F367-A466 PolarHBondContact O-N 3.18Å; F367-Q468 HydrophobicContact CE2-CB 3.94Å
368	E	91.9	Very high	89.2	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.009	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.6	-175.1	-172.5	173.1	-130.3	0	0	110.9	R371 F387 H389 Q391 R426 S463 F465	E368-R371 IonicContact OE1-NE 2.83Å; E368-R371 IonicContact OE2-CZ 3.03Å; E368-R371 IonicContact OE2-NE 3.46Å; E368-R371 PolarHBondContact OE2-NE 2.89Å; E368-R371 IonicContact OE2-NH2 2.92Å; E368-R371 PolarHBondContact OE2-NH2 2.89Å; E368-F387 WeakPolarHBondContact O-CB 3.36Å; E368-H389 HydrophobicContact CB-CB 4.3Å; E368-H389 PolarHBondContact N-O 2.84Å; E368-H389 PolarHBondContact O-N 3.13Å; E368-H389 IonicContact OE2-CD2 3.89Å; E368-H389 PolarHBondContact OE2-CD2 2.93Å; E368-Q391 PolarHBondContact OE2-NE2 2.62Å; E368-R426 IonicContact OE1-CZ 2.66Å; E368-R426 IonicContact OE1-NE 3.19Å; E368-R426 PolarHBondContact OE1-NE 2.78Å; E368-R426 IonicContact OE1-NH2 3.72Å; E368-R426 PolarHBondContact OE1-NH2 3.13Å; E368-R426 IonicContact OE2-NE 2.7Å; E368-R426 IonicContact OE2-NH2 2.8Å; E368-S463 PolarHBondContact OE1-OG 2.87Å; E368-F465 HydrophobicContact CB-CB 4.42Å
369	S	91.9	Very high	89.5	Confident	18 Å²	18	44.6 Å²	44.6	13%	0.126	25%	0.249	C	C	.	.			trans	-69.7	177.8	172.4	75.4	0	0	0	0	111.5	S463 C464	S369-S463 WeakPolarHBondContact OG-CB 3.5Å; S369-C464 PolarHBondContact N-O 2.83Å; S369-C464 PolarHBondContact OG-N 3.31Å; S369-C464 PolarHBondContact OG-O 2.89Å
370	N	89.3	Confident	89.2	Confident	139 Å²	139	45.5 Å²	45.5	74%	0.743	26%	0.259	S	S	*	.			trans	-58.1	145.2	162.1	-68	-23	0	0	0	109.8
371	R	91.1	Very high	88.5	Confident	110 Å²	110	50 Å²	50	42%	0.415	29%	0.291	S	S	.	.	S	Bend	trans	-88.5	172.3	177.7	-46.2	-175.6	174.3	178.6	-4.1	111.2	E368 R426 D461 W462	E368-R371 IonicContact OE1-NE 2.83Å; E368-R371 IonicContact OE2-CZ 3.03Å; E368-R371 IonicContact OE2-NE 3.46Å; E368-R371 PolarHBondContact OE2-NE 2.89Å; E368-R371 IonicContact OE2-NH2 2.92Å; E368-R371 PolarHBondContact OE2-NH2 2.89Å; R371-R426 VanDerWaalsContact NE-CZ 3.26Å; R371-D461 WeakPolarHBondContact CB-OD1 3.49Å; R371-D461 WeakPolarHBondContact CD-OD2 3Å; R371-D461 IonicContact NH1-OD2 2.73Å; R371-W462 CarbonylContact C-O 3.5Å; R371-W462 WeakPolarHBondContact CA-O 3.01Å
372	G	89.3	Confident	87.8	Confident	60 Å²	60	50.9 Å²	50.9	62%	0.619	29%	0.294	S	S	*	.			trans	84.5	16.6	-174.5	0	0	0	0	0	114.5	D461 W462	G372-D461 PolarHBondContact N-OD1 3.5Å; G372-W462 PolarHBondContact N-O 3.33Å
373	L	90.5	Very high	87.3	Confident	62 Å²	62	53.5 Å²	53.5	33%	0.325	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-67.2	164.6	171.1	-58.1	-175.4	0	0	0	110.9	T377 W462	L373-T377 HydrophobicContact CD1-CG2 4.2Å; L373-W462 HydrophobicContact CB-CB 4.3Å; L373-W462 WeakPolarHBondContact CB-O 3.27Å; L373-W462 PolarHBondContact N-O 2.66Å; L373-W462 WeakPolarHBondContact O-CB 3.42Å
374	S	90.1	Very high	86.3	Confident	66 Å²	66	54.5 Å²	54.5	46%	0.462	31%	0.311	S	S	.	.			trans	-77.5	147.3	167.7	174.4	0	0	0	0	110.1	H376 T377	S374-H376 PolarHBondContact O-N 2.81Å; S374-H376 PolarHBondContact OG-N 2.95Å; S374-T377 PolarHBondContact N-OG1 2.94Å; S374-T377 WeakPolarHBondContact O-CB 3.43Å; S374-T377 PolarHBondContact O-N 3.43Å; S374-T377 PolarHBondContact O-OG1 2.84Å
375	K	86.1	Confident	85.4	Confident	53 Å²	53	59 Å²	59	23%	0.23	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.6	170.8	69.8	-177.6	-177.4	179	0	114	T377 W462 D657 Y658	K375-T377 PolarHBondContact O-N 3.15Å; K375-W462 HydrophobicContact CB-CD2 3.68Å; K375-W462 HydrophobicContact CB-CE3 4.19Å; K375-W462 HydrophobicContact CB-CG 4.15Å; K375-W462 HydrophobicContact CB-CH2 4.05Å; K375-W462 HydrophobicContact CB-CZ2 3.52Å; K375-W462 HydrophobicContact CB-CZ3 4.36Å; K375-W462 HydrophobicContact CD-CZ2 4.49Å; K375-D657 PolarHBondContact NZ-O 2.81Å; K375-Y658 HydrophobicContact CD-CD1 4.29Å; K375-Y658 HydrophobicContact CD-CE1 4.14Å; K375-Y658 HydrophobicContact CG-CE1 4.19Å; K375-Y658 PolarHBondContact O-OH 2.8Å
376	H	84.9	Confident	84.6	Confident	140 Å²	140	64.8 Å²	64.8	65%	0.648	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	5.9	176.2	-58	-68	0	0	0	113.3	S374 N378	S374-H376 PolarHBondContact O-N 2.81Å; S374-H376 PolarHBondContact OG-N 2.95Å; H376-N378 PolarHBondContact O-N 2.82Å
377	T	86.9	Confident	84.1	Confident	47 Å²	47	65.5 Å²	65.5	29%	0.288	37%	0.365	S	S	.	.			trans	-68.6	128.9	177.3	-52.7	0	0	0	0	110.2	L373 S374 K375 C379 W453	L373-T377 HydrophobicContact CD1-CG2 4.2Å; S374-T377 PolarHBondContact N-OG1 2.94Å; S374-T377 WeakPolarHBondContact O-CB 3.43Å; S374-T377 PolarHBondContact O-N 3.43Å; S374-T377 PolarHBondContact O-OG1 2.84Å; K375-T377 PolarHBondContact O-N 3.15Å; T377-C379 PolarHBondContact O-N 3.05Å; T377-W453 PolarHBondContact O-NE1 3.48Å
378	N	84.9	Confident	83.3	Confident	98 Å²	98	74.9 Å²	74.9	52%	0.524	40%	0.4	S	S	.	.			trans	-79.6	88.9	176.8	-176.9	-4.7	0	0	0	111.1	H376 S380 S381	H376-N378 PolarHBondContact O-N 2.82Å; N378-S380 VanDerWaalsContact C-N 3.28Å; N378-S380 PolarHBondContact O-N 2.88Å; N378-S380 WeakPolarHBondContact OD1-CB 3.48Å; N378-S380 PolarHBondContact OD1-N 3.41Å; N378-S380 VanDerWaalsContact OD1-N 3.13Å; N378-S381 PolarHBondContact O-OG 2.91Å
379	C	86.9	Confident	83	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.007	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-68	-25.2	178.1	-67.8	0	0	0	0	113.3	T377 S381 T382 P451 G452 W453 C464	T377-C379 PolarHBondContact O-N 3.05Å; C379-S381 PolarHBondContact O-N 3.43Å; C379-T382 WeakPolarHBondContact O-CB 3.06Å; C379-T382 PolarHBondContact O-N 3.02Å; C379-T382 PolarHBondContact O-OG1 3.2Å; C379-P451 WeakPolarHBondContact O-CB 3.32Å; C379-G452 WeakPolarHBondContact CB-O 3.2Å; C379-W453 HydrophobicContact CB-CD2 4.39Å; C379-W453 HydrophobicContact CB-CG 4.43Å; C379-W453 HydrophobicContact CB-CZ2 4.48Å; C379-C464 WeakPolarHBondContact CA-SG 3.34Å; C379-C464 HydrophobicContact CB-CB 3.66Å; C379-C464 WeakPolarHBondContact CB-SG 3.46Å; C379-C464 WeakPolarHBondContact SG-CA 3.33Å; C379-C464 WeakPolarHBondContact SG-CB 3.43Å; C379-C464 CovalentContact SG-SG 2.04Å; C379-C464 PolarHBondContact SG-SG 3.27Å
380	S	78.3	Confident	82.8	Confident	58 Å²	58	78.5 Å²	78.5	41%	0.406	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-62.8	-20.5	-175.8	-51.6	0	0	0	0	114.3	N378	N378-S380 VanDerWaalsContact C-N 3.28Å; N378-S380 PolarHBondContact O-N 2.88Å; N378-S380 WeakPolarHBondContact OD1-CB 3.48Å; N378-S380 PolarHBondContact OD1-N 3.41Å; N378-S380 VanDerWaalsContact OD1-N 3.13Å
381	S	73.2	Confident	82.8	Confident	95 Å²	95	72.5 Å²	72.5	66%	0.664	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-95.6	-3.2	177.7	65.3	0	0	0	0	114.4	N378 C379	N378-S381 PolarHBondContact O-OG 2.91Å; C379-S381 PolarHBondContact O-N 3.43Å
382	T	76	Confident	82.8	Confident	40 Å²	40	67.3 Å²	67.3	25%	0.245	37%	0.365	C	S	.	.			trans	-77.7	146.4	-175.1	60	0	0	0	0	111.8	C379 P384 F387 C464	C379-T382 WeakPolarHBondContact O-CB 3.06Å; C379-T382 PolarHBondContact O-N 3.02Å; C379-T382 PolarHBondContact O-OG1 3.2Å; T382-P384 WeakPolarHBondContact O-CD 3.35Å; T382-F387 WeakPolarHBondContact OG1-CZ 3.47Å; T382-C464 HydrophobicContact CG2-CB 4.46Å
383	N	79.2	Confident	83.1	Confident	72 Å²	72	64.5 Å²	64.5	39%	0.385	34%	0.335	S	S	.	.			trans	-89.7	114.2	172.8	-176.6	0.3	0	0	0	110.1	D385 Q386	N383-D385 PolarHBondContact ND2-OD2 3.39Å; N383-D385 PolarHBondContact O-N 2.99Å; N383-D385 VanDerWaalsContact O-N 3.11Å; N383-D385 WeakPolarHBondContact OD1-CB 3.3Å; N383-D385 PolarHBondContact OD1-N 2.96Å; N383-D385 PolarHBondContact OD1-OD2 3.02Å; N383-D385 VanDerWaalsContact OD1-OD2 3.14Å; N383-Q386 PolarHBondContact O-N 2.83Å; N383-Q386 VanDerWaalsContact O-N 3.14Å
384	P	72	Confident	83.3	Confident	31 Å²	31	61.6 Å²	61.6	20%	0.201	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-56.6	-23.7	176.9	-27.8	38	0	0	0	115.4	T382 Q386 F387 P451 A466	T382-P384 WeakPolarHBondContact O-CD 3.35Å; P384-Q386 PolarHBondContact O-N 3.01Å; P384-Q386 VanDerWaalsContact O-N 3.07Å; P384-F387 HydrophobicContact CB-CD2 4.1Å; P384-F387 HydrophobicContact CB-CE2 4.23Å; P384-F387 HydrophobicContact CG-CE2 4.45Å; P384-F387 VanDerWaalsContact O-CB 3.27Å; P384-F387 WeakPolarHBondContact O-CB 3.49Å; P384-F387 PolarHBondContact O-N 3.04Å; P384-P451 HydrophobicContact CG-CG 4.04Å; P384-A466 HydrophobicContact CB-CB 3.79Å; P384-A466 HydrophobicContact CG-CB 3.63Å
385	D	73.4	Confident	83.5	Confident	94 Å²	94	58.5 Å²	58.5	50%	0.503	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-60.2	-21.1	178.2	-58.1	-29.4	0	0	0	112.7	I335 N383 F387	I335-D385 WeakPolarHBondContact CD1-OD1 3.4Å; N383-D385 PolarHBondContact ND2-OD2 3.39Å; N383-D385 PolarHBondContact O-N 2.99Å; N383-D385 VanDerWaalsContact O-N 3.11Å; N383-D385 WeakPolarHBondContact OD1-CB 3.3Å; N383-D385 PolarHBondContact OD1-N 2.96Å; N383-D385 PolarHBondContact OD1-OD2 3.02Å; N383-D385 VanDerWaalsContact OD1-OD2 3.14Å; D385-F387 VanDerWaalsContact C-N 3.35Å
386	Q	76.1	Confident	83.7	Confident	146 Å²	146	56.6 Å²	56.6	68%	0.682	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-84.7	-10.7	179.3	-61.7	-177.3	-5.9	0	0	113.1	N383 P384 R388	N383-Q386 PolarHBondContact O-N 2.83Å; N383-Q386 VanDerWaalsContact O-N 3.14Å; P384-Q386 PolarHBondContact O-N 3.01Å; P384-Q386 VanDerWaalsContact O-N 3.07Å; Q386-R388 PolarHBondContact O-N 3.16Å
387	F	82	Confident	83.7	Confident	16 Å²	16	52.7 Å²	52.7	7%	0.07	27%	0.272	C	S	.	.			trans	-80.1	106.1	-176.4	-63	-12.6	0	0	0	110.2	F367 E368 T382 P384 D385 C464 A466	F367-F387 HydrophobicContact CB-CB 3.71Å; F367-F387 HydrophobicContact CB-CD2 4.03Å; F367-F387 HydrophobicContact CB-CG 4.41Å; F367-F387 WeakPolarHBondContact O-CD2 3.44Å; E368-F387 WeakPolarHBondContact O-CB 3.36Å; T382-F387 WeakPolarHBondContact OG1-CZ 3.47Å; P384-F387 HydrophobicContact CB-CD2 4.1Å; P384-F387 HydrophobicContact CB-CE2 4.23Å; P384-F387 HydrophobicContact CG-CE2 4.45Å; P384-F387 VanDerWaalsContact O-CB 3.27Å; P384-F387 WeakPolarHBondContact O-CB 3.49Å; P384-F387 PolarHBondContact O-N 3.04Å; D385-F387 VanDerWaalsContact C-N 3.35Å; F387-C464 HydrophobicContact CE1-CB 4.19Å; F387-C464 HydrophobicContact CE2-CB 4.37Å; F387-C464 HydrophobicContact CZ-CB 3.61Å; F387-A466 HydrophobicContact CE2-CB 4.41Å
388	R	75.3	Confident	83.4	Confident	225 Å²	225	52.6 Å²	52.6	85%	0.849	27%	0.272	S	S	*	.			trans	-85	-23.5	-174	-62.2	-172	-178.6	-138.3	0.5	113.5	Q386 V390	Q386-R388 PolarHBondContact O-N 3.16Å; R388-V390 PolarHBondContact O-N 3.3Å
389	H	86.6	Confident	83.7	Confident	70 Å²	70	49.6 Å²	49.6	32%	0.324	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113.1	-177.8	-171.7	62.6	0	0	0	109.7	E368 Q391	E368-H389 HydrophobicContact CB-CB 4.3Å; E368-H389 PolarHBondContact N-O 2.84Å; E368-H389 PolarHBondContact O-N 3.13Å; E368-H389 IonicContact OE2-CD2 3.89Å; E368-H389 PolarHBondContact OE2-CD2 2.93Å; H389-Q391 PolarHBondContact CD2-NE2 2.93Å; H389-Q391 VanDerWaalsContact CD2-NE2 3.26Å; H389-Q391 WeakPolarHBondContact NE2-CG 3.26Å; H389-Q391 PolarHBondContact NE2-NE2 3.49Å
390	V	87.4	Confident	84.1	Confident	25 Å²	25	50.5 Å²	50.5	15%	0.152	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.3	-179.6	-174.2	0	0	0	0	109.6	K365 F366 F367 R388	K365-V390 HydrophobicContact CB-CG1 4.29Å; F366-V390 WeakPolarHBondContact O-CA 3.22Å; F367-V390 HydrophobicContact CD1-CG2 3.67Å; F367-V390 HydrophobicContact CE1-CG1 4.41Å; F367-V390 HydrophobicContact CE1-CG2 3.91Å; R388-V390 PolarHBondContact O-N 3.3Å
391	Q	88.8	Confident	84.9	Confident	13 Å²	13	47.7 Å²	47.7	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140	172.2	-62.6	-179.2	38.6	0	0	109.8	F366 E368 H389 M393 Y428	F366-Q391 PolarHBondContact N-O 2.91Å; F366-Q391 PolarHBondContact O-N 3.29Å; E368-Q391 PolarHBondContact OE2-NE2 2.62Å; H389-Q391 PolarHBondContact CD2-NE2 2.93Å; H389-Q391 VanDerWaalsContact CD2-NE2 3.26Å; H389-Q391 WeakPolarHBondContact NE2-CG 3.26Å; H389-Q391 PolarHBondContact NE2-NE2 3.49Å; Q391-M393 HydrophobicContact CB-CE 4.11Å; Q391-Y428 PolarHBondContact NE2-OH 2.79Å; Q391-Y428 PolarHBondContact OE1-OH 2.67Å
392	V	91.8	Very high	86	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.9	170.5	179.3	0	0	0	0	108.2	I325 T363 W364 D403 S404	I325-V392 HydrophobicContact CB-CG1 4.06Å; I325-V392 HydrophobicContact CG2-CG1 4Å; T363-V392 HydrophobicContact CG2-CG1 3.48Å; T363-V392 VanDerWaalsContact CG2-CG1 3.48Å; W364-V392 CarbonylContact O-C 3.46Å; W364-V392 WeakPolarHBondContact O-CA 3.23Å; V392-D403 CarbonylContact O-C 3.48Å; V392-S404 PolarHBondContact O-N 2.91Å; V392-S404 VanDerWaalsContact O-N 3.12Å
393	M	94.2	Very high	86.9	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.5	179.3	-68.4	-67.3	171.4	0	0	109.3	T363 W364 F366 Q391 I402 D403 V423 Y428	T363-M393 CarbonylContact C-O 3.54Å; T363-M393 WeakPolarHBondContact CA-O 3.38Å; W364-M393 PolarHBondContact N-O 3.47Å; W364-M393 PolarHBondContact O-N 3.08Å; F366-M393 HydrophobicContact CD1-CG 4.43Å; F366-M393 HydrophobicContact CD2-CG 3.68Å; F366-M393 HydrophobicContact CE1-CB 4.39Å; F366-M393 HydrophobicContact CE2-CB 4.32Å; F366-M393 HydrophobicContact CE2-CG 3.81Å; F366-M393 HydrophobicContact CG-CG 4Å; F366-M393 HydrophobicContact CZ-CB 4.25Å; F366-M393 HydrophobicContact CZ-CG 4.22Å; Q391-M393 HydrophobicContact CB-CE 4.11Å; M393-I402 CarbonylContact C-O 3.59Å; M393-I402 WeakPolarHBondContact CA-O 3.24Å; M393-D403 HydrophobicContact CE-CB 3.79Å; M393-D403 HydrophobicContact SD-CB 3.79Å; M393-V423 HydrophobicContact CE-CG1 3.86Å; M393-V423 HydrophobicContact SD-CG1 3.81Å; M393-Y428 HydrophobicContact CE-CE2 3.92Å
394	Q	94.3	Very high	87.4	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.4	174.1	-59.3	164.9	-94.9	0	0	108.5	L130 P323 I325 T363 A401 I402	L130-Q394 HydrophobicContact CD2-CG 4.3Å; P323-Q394 PolarHBondContact O-NE2 3.28Å; P323-Q394 PolarHBondContact O-OE1 2.84Å; I325-Q394 HydrophobicContact CG1-CG 4.42Å; T363-Q394 HydrophobicContact CG2-CG 4.09Å; Q394-A401 CarbonylContact O-C 3.3Å; Q394-A401 WeakPolarHBondContact O-CA 3.43Å; Q394-I402 HydrophobicContact CB-CB 4.24Å; Q394-I402 PolarHBondContact N-O 2.82Å; Q394-I402 PolarHBondContact O-N 3.12Å
395	L	94.8	Very high	88.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	104.4	-179.8	-55.1	-173.7	0	0	0	109.3	A361 G362 W364 A401 W411 F419 V421	A361-L395 CarbonylContact C-O 3.49Å; A361-L395 WeakPolarHBondContact CA-O 3.13Å; G362-L395 PolarHBondContact N-O 3.36Å; G362-L395 PolarHBondContact O-N 2.8Å; W364-L395 HydrophobicContact CG-CD1 4.41Å; L395-A401 HydrophobicContact CD2-CB 4.01Å; L395-W411 HydrophobicContact CB-CD2 3.98Å; L395-W411 HydrophobicContact CB-CG 4.25Å; L395-W411 HydrophobicContact CB-CZ2 3.93Å; L395-W411 HydrophobicContact CD1-CD2 4.42Å; L395-W411 HydrophobicContact CD1-CE3 4.38Å; L395-W411 HydrophobicContact CD2-CB 4.12Å; L395-W411 HydrophobicContact CD2-CD2 4.44Å; L395-W411 HydrophobicContact CD2-CG 3.98Å; L395-F419 HydrophobicContact CD1-CD2 4.46Å; L395-F419 HydrophobicContact CD1-CE2 4.32Å; L395-V421 HydrophobicContact CD1-CG2 4.16Å; L395-V421 HydrophobicContact CD2-CG1 4.05Å; L395-V421 HydrophobicContact CD2-CG2 3.69Å
396	L	91.4	Very high	89	Confident	14 Å²	14	39.5 Å²	39.5	7%	0.073	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	155.1	-169.5	-54.5	176.6	0	0	0	112.4	L130 T322 P398 N399 V400 I402 W411	L130-L396 HydrophobicContact CD2-CD2 4.16Å; T322-L396 HydrophobicContact CG2-CD1 3.53Å; L396-P398 CarbonylContact O-C 3.57Å; L396-N399 PolarHBondContact O-N 2.85Å; L396-V400 HydrophobicContact CB-CB 4.36Å; L396-V400 PolarHBondContact N-O 2.92Å; L396-V400 PolarHBondContact O-N 3.49Å; L396-I402 HydrophobicContact CD1-CD1 3.91Å; L396-W411 PolarHBondContact O-NE1 3.21Å
397	F	83.7	Confident	89.9	Confident	58 Å²	58	35.5 Å²	35.5	25%	0.254	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	142.1	174.2	-173.5	-90	0	0	0	111.5	H225 F357	H225-F397 HydrophobicContact CB-CB 3.76Å; H225-F397 HydrophobicContact CB-CG 4.24Å; F357-F397 AromaticContact CD1-CD2 3.82Å; F357-F397 HydrophobicContact CD1-CD2 3.82Å; F357-F397 HydrophobicContact CE1-CB 3.63Å; F357-F397 AromaticContact CE1-CD2 3.43Å; F357-F397 HydrophobicContact CE1-CD2 3.43Å; F357-F397 VanDerWaalsContact CE1-CD2 3.43Å; F357-F397 HydrophobicContact CE1-CG 4Å; F357-F397 HydrophobicContact CE2-CD2 4.44Å; F357-F397 HydrophobicContact CZ-CB 3.98Å; F357-F397 AromaticContact CZ-CD2 3.76Å; F357-F397 HydrophobicContact CZ-CD2 3.76Å; F357-F397 HydrophobicContact CZ-CG 4.29Å
398	P	81.5	Confident	90.5	Very high	45 Å²	45	38 Å²	38	29%	0.292	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	cis	-82.1	-29	-3.9	28.6	-31.1	0	0	0	114.7	F357 L396 F698	F357-P398 WeakPolarHBondContact CE2-O 3.31Å; F357-P398 WeakPolarHBondContact CZ-O 3.5Å; L396-P398 CarbonylContact O-C 3.57Å; P398-F698 HydrophobicContact CB-CD1 4.3Å; P398-F698 HydrophobicContact CB-CE1 3.76Å; P398-F698 HydrophobicContact CB-CE2 4.27Å; P398-F698 HydrophobicContact CB-CZ 3.75Å; P398-F698 HydrophobicContact CG-CE1 4.48Å
399	N	91	Very high	91.5	Very high	35 Å²	35	28 Å²	28	19%	0.187	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-159	27.8	-172.6	66.1	-24.7	0	0	0	112.7	L396 V410 W411 G697 F698	L396-N399 PolarHBondContact O-N 2.85Å; N399-V410 CarbonylContact O-C 3.54Å; N399-V410 WeakPolarHBondContact O-CA 3.17Å; N399-W411 WeakPolarHBondContact CA-O 3.33Å; N399-W411 VanDerWaalsContact CB-O 3.25Å; N399-W411 WeakPolarHBondContact CB-O 3.22Å; N399-W411 PolarHBondContact O-N 2.9Å; N399-G697 PolarHBondContact ND2-O 2.92Å; N399-F698 HydrophobicContact CB-CB 3.67Å; N399-F698 HydrophobicContact CB-CD1 4.02Å; N399-F698 HydrophobicContact CB-CG 3.96Å
400	V	94.6	Very high	91.9	Very high	19 Å²	19	28.2 Å²	28.2	12%	0.115	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.5	-174.2	179.9	0	0	0	0	110.9	L396 I402 T408 W411	L396-V400 HydrophobicContact CB-CB 4.36Å; L396-V400 PolarHBondContact N-O 2.92Å; L396-V400 PolarHBondContact O-N 3.49Å; V400-I402 HydrophobicContact CG1-CD1 4.4Å; V400-I402 HydrophobicContact CG1-CG1 4.05Å; V400-T408 HydrophobicContact CG1-CG2 3.81Å; V400-W411 PolarHBondContact O-NE1 3.23Å
401	A	96.8	Very high	92.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136	172.8	0	0	0	0	0	110.1	Q394 L395 T408 G409 W411 V421	Q394-A401 CarbonylContact O-C 3.3Å; Q394-A401 WeakPolarHBondContact O-CA 3.43Å; L395-A401 HydrophobicContact CD2-CB 4.01Å; A401-T408 CarbonylContact O-C 3.59Å; A401-T408 WeakPolarHBondContact O-CA 3.31Å; A401-G409 PolarHBondContact N-O 2.88Å; A401-G409 PolarHBondContact O-N 3.26Å; A401-W411 HydrophobicContact CB-CB 4.26Å; A401-V421 HydrophobicContact CB-CG1 3.62Å
402	I	95.7	Very high	92.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.1	177	-52.6	167.7	0	0	0	108.7	T202 N203 T322 M393 Q394 L396 V400 N407	T202-I402 HydrophobicContact CG2-CD1 3.87Å; T202-I402 HydrophobicContact CG2-CG1 4.29Å; T202-I402 HydrophobicContact CG2-CG2 3.63Å; N203-I402 HydrophobicContact CB-CD1 3.89Å; T322-I402 HydrophobicContact CG2-CD1 3.71Å; M393-I402 CarbonylContact C-O 3.59Å; M393-I402 WeakPolarHBondContact CA-O 3.24Å; Q394-I402 HydrophobicContact CB-CB 4.24Å; Q394-I402 PolarHBondContact N-O 2.82Å; Q394-I402 PolarHBondContact O-N 3.12Å; L396-I402 HydrophobicContact CD1-CD1 3.91Å; V400-I402 HydrophobicContact CG1-CD1 4.4Å; V400-I402 HydrophobicContact CG1-CG1 4.05Å; I402-N407 WeakPolarHBondContact CA-O 3.44Å
403	D	94	Very high	92.5	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.011	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	174.1	175.5	76.9	6.7	0	0	0	112.3	V392 M393 Y405 G406 N407 V423	V392-D403 CarbonylContact O-C 3.48Å; M393-D403 HydrophobicContact CE-CB 3.79Å; M393-D403 HydrophobicContact SD-CB 3.79Å; D403-Y405 PolarHBondContact O-N 3.23Å; D403-Y405 WeakPolarHBondContact OD1-CA 3.35Å; D403-Y405 WeakPolarHBondContact OD1-CB 3.42Å; D403-Y405 PolarHBondContact OD1-N 3.34Å; D403-G406 PolarHBondContact O-N 3.4Å; D403-G406 PolarHBondContact OD1-N 3.18Å; D403-G406 VanDerWaalsContact OD1-N 3.1Å; D403-N407 PolarHBondContact N-O 2.87Å; D403-N407 VanDerWaalsContact N-O 3.13Å; D403-N407 WeakPolarHBondContact OD1-CB 3.46Å; D403-N407 PolarHBondContact OD1-N 3.25Å; D403-N407 PolarHBondContact OD1-ND2 2.83Å; D403-N407 WeakPolarHBondContact OD2-CB 3.44Å; D403-N407 PolarHBondContact OD2-ND2 3.37Å; D403-V423 HydrophobicContact CB-CG1 4.31Å; D403-V423 HydrophobicContact CB-CG2 4.06Å
404	S	90	Very high	92.2	Very high	5 Å²	5	27.4 Å²	27.4	4%	0.035	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-12.1	178.5	49.5	0	0	0	0	115.1	P326 V392	P326-S404 WeakPolarHBondContact CA-O 3.12Å; P326-S404 VanDerWaalsContact O-CB 3.23Å; P326-S404 WeakPolarHBondContact O-CB 3.33Å; V392-S404 PolarHBondContact O-N 2.91Å; V392-S404 VanDerWaalsContact O-N 3.12Å
405	Y	90.1	Very high	91.6	Very high	142 Å²	142	28 Å²	28	56%	0.557	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	0.4	-180	-54.3	-76.2	0	0	0	112.2	D403 N407	D403-Y405 PolarHBondContact O-N 3.23Å; D403-Y405 WeakPolarHBondContact OD1-CA 3.35Å; D403-Y405 WeakPolarHBondContact OD1-CB 3.42Å; D403-Y405 PolarHBondContact OD1-N 3.34Å; Y405-N407 VanDerWaalsContact C-N 3.34Å
406	G	89.9	Confident	90.9	Very high	11 Å²	11	28.4 Å²	28.4	11%	0.113	16%	0.155	C	C	.	.			trans	82.3	8	-177	0	0	0	0	0	114.4	T202 I324 D403 T408	T202-G406 PolarHBondContact OG1-O 2.82Å; I324-G406 VanDerWaalsContact CD1-CA 3.45Å; D403-G406 PolarHBondContact O-N 3.4Å; D403-G406 PolarHBondContact OD1-N 3.18Å; D403-G406 VanDerWaalsContact OD1-N 3.1Å; G406-T408 PolarHBondContact O-N 3.25Å
407	N	94.2	Very high	90.4	Very high	61 Å²	61	27.8 Å²	27.8	33%	0.326	15%	0.152	S	C	.	.			trans	-66.9	129.8	172.8	-58.3	-64.9	0	0	0	108.5	I402 D403 Y405 V423 N424	I402-N407 WeakPolarHBondContact CA-O 3.44Å; D403-N407 PolarHBondContact N-O 2.87Å; D403-N407 VanDerWaalsContact N-O 3.13Å; D403-N407 WeakPolarHBondContact OD1-CB 3.46Å; D403-N407 PolarHBondContact OD1-N 3.25Å; D403-N407 PolarHBondContact OD1-ND2 2.83Å; D403-N407 WeakPolarHBondContact OD2-CB 3.44Å; D403-N407 PolarHBondContact OD2-ND2 3.37Å; Y405-N407 VanDerWaalsContact C-N 3.34Å; N407-V423 HydrophobicContact CB-CG2 4.09Å; N407-V423 VanDerWaalsContact O-CG2 3.24Å; N407-V423 WeakPolarHBondContact O-CG2 3.36Å; N407-N424 HydrophobicContact CB-CB 3.98Å; N407-N424 PolarHBondContact ND2-ND2 3.19Å
408	T	94.5	Very high	90.7	Very high	69 Å²	69	25 Å²	25	42%	0.423	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.9	177	-60	0	0	0	0	109.8	V400 A401 G406	V400-T408 HydrophobicContact CG1-CG2 3.81Å; A401-T408 CarbonylContact O-C 3.59Å; A401-T408 WeakPolarHBondContact O-CA 3.31Å; G406-T408 PolarHBondContact O-N 3.25Å
409	G	95.7	Very high	91.3	Very high	15 Å²	15	22.9 Å²	22.9	16%	0.155	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	-161.1	176	0	0	0	0	0	110.7	A401 N422	A401-G409 PolarHBondContact N-O 2.88Å; A401-G409 PolarHBondContact O-N 3.26Å; G409-N422 CarbonylContact C-O 3.2Å; G409-N422 WeakPolarHBondContact CA-O 3.5Å
410	V	96.2	Very high	91.5	Very high	75 Å²	75	21.7 Å²	21.7	46%	0.455	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	152.1	-177.7	-62	0	0	0	0	111.7	N399 N422	N399-V410 CarbonylContact O-C 3.54Å; N399-V410 WeakPolarHBondContact O-CA 3.17Å; V410-N422 HydrophobicContact CG2-CB 4.09Å; V410-N422 PolarHBondContact N-O 3.37Å; V410-N422 PolarHBondContact O-N 3.2Å
411	W	96	Very high	91.6	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.011	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	156.8	166.7	74.1	-74.6	0	0	0	111.2	F357 V360 A361 L395 L396 N399 V400 A401 L413 F419 E420 V421	F357-W411 HydrophobicContact CD1-CH2 4.44Å; F357-W411 AromaticContact CD2-CH2 3.69Å; F357-W411 HydrophobicContact CD2-CH2 3.69Å; F357-W411 HydrophobicContact CD2-CZ2 4.14Å; F357-W411 HydrophobicContact CD2-CZ3 4.35Å; F357-W411 HydrophobicContact CE1-CH2 4.04Å; F357-W411 AromaticContact CE1-CZ2 3.79Å; F357-W411 HydrophobicContact CE1-CZ2 3.79Å; F357-W411 AromaticContact CE2-CE2 3.98Å; F357-W411 AromaticContact CE2-CH2 3.26Å; F357-W411 HydrophobicContact CE2-CH2 3.26Å; F357-W411 AromaticContact CE2-CZ2 3.25Å; F357-W411 HydrophobicContact CE2-CZ2 3.25Å; F357-W411 HydrophobicContact CE2-CZ3 4.04Å; F357-W411 HydrophobicContact CG-CH2 4.26Å; F357-W411 AromaticContact CZ-CE2 3.89Å; F357-W411 AromaticContact CZ-CH2 3.46Å; F357-W411 HydrophobicContact CZ-CH2 3.46Å; F357-W411 VanDerWaalsContact CZ-CH2 3.46Å; F357-W411 AromaticContact CZ-CZ2 3.03Å; F357-W411 HydrophobicContact CZ-CZ2 3.03Å; V360-W411 HydrophobicContact CB-CH2 4.43Å; V360-W411 HydrophobicContact CB-CZ3 4.35Å; V360-W411 HydrophobicContact CG1-CH2 4.2Å; V360-W411 HydrophobicContact CG1-CZ3 3.79Å; A361-W411 HydrophobicContact CB-CH2 4.04Å; A361-W411 HydrophobicContact CB-CZ2 3.9Å; L395-W411 HydrophobicContact CB-CD2 3.98Å; L395-W411 HydrophobicContact CB-CG 4.25Å; L395-W411 HydrophobicContact CB-CZ2 3.93Å; L395-W411 HydrophobicContact CD1-CD2 4.42Å; L395-W411 HydrophobicContact CD1-CE3 4.38Å; L395-W411 HydrophobicContact CD2-CB 4.12Å; L395-W411 HydrophobicContact CD2-CD2 4.44Å; L395-W411 HydrophobicContact CD2-CG 3.98Å; L396-W411 PolarHBondContact O-NE1 3.21Å; N399-W411 WeakPolarHBondContact CA-O 3.33Å; N399-W411 VanDerWaalsContact CB-O 3.25Å; N399-W411 WeakPolarHBondContact CB-O 3.22Å; N399-W411 PolarHBondContact O-N 2.9Å; V400-W411 PolarHBondContact O-NE1 3.23Å; A401-W411 HydrophobicContact CB-CB 4.26Å; W411-L413 HydrophobicContact CZ3-CD2 4Å; W411-L413 HydrophobicContact CZ3-CG 4.22Å; W411-F419 HydrophobicContact CE3-CB 4.39Å; W411-E420 CarbonylContact C-O 3.55Å; W411-E420 WeakPolarHBondContact CA-O 3.5Å; W411-E420 WeakPolarHBondContact CB-O 3.48Å; W411-V421 HydrophobicContact CB-CB 4.38Å; W411-V421 HydrophobicContact CB-CG1 4.42Å; W411-V421 HydrophobicContact CB-CG2 3.98Å
412	T	94.3	Very high	91.6	Very high	11 Å²	11	22.8 Å²	22.8	7%	0.067	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	150.1	173.7	-177.8	0	0	0	0	110.2	F419 E420 Y648 Y694 F698 Y699	T412-F419 CarbonylContact O-C 3.58Å; T412-F419 VanDerWaalsContact O-CA 3.22Å; T412-F419 WeakPolarHBondContact O-CA 3.25Å; T412-F419 WeakPolarHBondContact O-CB 3.42Å; T412-E420 PolarHBondContact N-O 2.87Å; T412-E420 PolarHBondContact O-N 3.14Å; T412-Y648 HydrophobicContact CG2-CE2 4.29Å; T412-Y648 WeakPolarHBondContact CG2-OH 3.25Å; T412-Y694 HydrophobicContact CG2-CD2 4.3Å; T412-Y694 HydrophobicContact CG2-CE2 4.35Å; T412-F698 WeakPolarHBondContact OG1-CA 3.37Å; T412-Y699 PolarHBondContact OG1-N 3.01Å
413	L	90.4	Very high	91.6	Very high	9 Å²	9	22.9 Å²	22.9	5%	0.047	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	147.9	159.7	-65	179.7	0	0	0	109.7	F357 V360 W411 V415 G418 F419 Y694 Y699	F357-L413 HydrophobicContact CB-CD1 4.2Å; V360-L413 HydrophobicContact CB-CD2 3.97Å; V360-L413 HydrophobicContact CG1-CD2 4.1Å; V360-L413 HydrophobicContact CG2-CD2 3.77Å; W411-L413 HydrophobicContact CZ3-CD2 4Å; W411-L413 HydrophobicContact CZ3-CG 4.22Å; L413-V415 VanDerWaalsContact CB-O 3.26Å; L413-V415 WeakPolarHBondContact CB-O 3.22Å; L413-G418 WeakPolarHBondContact CA-O 3.17Å; L413-F419 HydrophobicContact CD2-CB 4.28Å; L413-Y694 WeakPolarHBondContact O-CE2 3.5Å; L413-Y699 HydrophobicContact CB-CD1 4.25Å; L413-Y699 VanDerWaalsContact O-CB 3.27Å; L413-Y699 WeakPolarHBondContact O-CB 3.27Å
414	I	87.2	Confident	91.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	93.1	165.1	-65.6	164.9	0	0	0	105.2	N416 Q417 G418 E420 F429 F646 Y648 L649	I414-N416 PolarHBondContact O-N 3.35Å; I414-Q417 PolarHBondContact O-N 2.74Å; I414-G418 PolarHBondContact N-O 2.75Å; I414-E420 HydrophobicContact CD1-CB 4.03Å; I414-F429 HydrophobicContact CD1-CD2 3.34Å; I414-F429 HydrophobicContact CD1-CE2 3.21Å; I414-F429 HydrophobicContact CD1-CZ 4.4Å; I414-F646 HydrophobicContact CG2-CD2 4.45Å; I414-Y648 HydrophobicContact CD1-CD1 4.18Å; I414-Y648 HydrophobicContact CD1-CE1 3.87Å; I414-Y648 HydrophobicContact CG1-CD1 3.89Å; I414-Y648 HydrophobicContact CG1-CE1 3.75Å; I414-Y648 HydrophobicContact CG2-CD1 4.46Å; I414-L649 HydrophobicContact CD1-CD2 3.89Å; I414-L649 HydrophobicContact CG2-CD1 4.19Å; I414-L649 HydrophobicContact CG2-CD2 4.27Å; I414-L649 HydrophobicContact CG2-CG 4.02Å
415	V	81.9	Confident	91.7	Very high	14 Å²	14	31.5 Å²	31.5	9%	0.085	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-110.1	-167.5	-168.5	0	0	0	0	109.8	L413 I555 F646 Y694 Y699	L413-V415 VanDerWaalsContact CB-O 3.26Å; L413-V415 WeakPolarHBondContact CB-O 3.22Å; V415-I555 HydrophobicContact CG1-CD1 3.39Å; V415-F646 HydrophobicContact CB-CE1 4.29Å; V415-F646 HydrophobicContact CB-CZ 4.48Å; V415-F646 HydrophobicContact CG1-CE1 4.5Å; V415-F646 HydrophobicContact CG2-CD1 3.64Å; V415-F646 HydrophobicContact CG2-CE1 3.66Å; V415-F646 HydrophobicContact CG2-CG 4.21Å; V415-F646 HydrophobicContact CG2-CZ 4.22Å; V415-Y694 PolarHBondContact N-OH 2.98Å; V415-Y699 HydrophobicContact CB-CE2 4.2Å; V415-Y699 HydrophobicContact CG1-CE2 4.16Å; V415-Y699 WeakPolarHBondContact CG1-OH 3.13Å; V415-Y699 HydrophobicContact CG2-CE2 4.17Å; V415-Y699 VanDerWaalsContact O-CD1 3.24Å; V415-Y699 WeakPolarHBondContact O-CD1 3.33Å; V415-Y699 VanDerWaalsContact O-CE1 3.22Å; V415-Y699 WeakPolarHBondContact O-CE1 3.49Å
416	N	79.4	Confident	91.9	Very high	9 Å²	9	25.3 Å²	25.3	5%	0.048	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.1	18.5	176.6	63.6	-22.2	0	0	0	111.8	N354 C355 I414	N354-N416 WeakPolarHBondContact CA-O 3.24Å; N354-N416 PolarHBondContact ND2-ND2 2.89Å; N354-N416 PolarHBondContact OD1-ND2 3.44Å; C355-N416 PolarHBondContact N-O 3.47Å; C355-N416 WeakPolarHBondContact O-CA 3.17Å; C355-N416 WeakPolarHBondContact O-CB 3.48Å; I414-N416 PolarHBondContact O-N 3.35Å
417	Q	81.3	Confident	92.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-26.5	-166.9	-60	-63	-40.7	0	0	112.6	A349 T351 S353 I414 F431 T432 F646	A349-Q417 VanDerWaalsContact O-CD 3.24Å; A349-Q417 VanDerWaalsContact O-CG 3.22Å; A349-Q417 WeakPolarHBondContact O-CG 3.2Å; A349-Q417 PolarHBondContact O-OE1 3.47Å; A349-Q417 VanDerWaalsContact O-OE1 3.11Å; T351-Q417 VanDerWaalsContact CA-OE1 3.31Å; T351-Q417 VanDerWaalsContact CB-OE1 3.26Å; T351-Q417 PolarHBondContact O-OE1 2.87Å; T351-Q417 PolarHBondContact OG1-OE1 3.21Å; S353-Q417 PolarHBondContact O-NE2 2.94Å; S353-Q417 PolarHBondContact O-OE1 3.48Å; I414-Q417 PolarHBondContact O-N 2.74Å; Q417-F431 HydrophobicContact CB-CD1 4.15Å; Q417-F431 HydrophobicContact CB-CE1 4.41Å; Q417-F431 WeakPolarHBondContact O-CA 3.47Å; Q417-T432 PolarHBondContact O-N 2.99Å; Q417-T432 PolarHBondContact O-OG1 3.28Å; Q417-T432 VanDerWaalsContact O-OG1 3.04Å; Q417-F646 HydrophobicContact CG-CE2 3.92Å; Q417-F646 HydrophobicContact CG-CZ 3.9Å
418	G	89.8	Confident	92.2	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	-168	-173.4	0	0	0	0	0	110	L413 I414 A430	L413-G418 WeakPolarHBondContact CA-O 3.17Å; I414-G418 PolarHBondContact N-O 2.75Å; G418-A430 VanDerWaalsContact CA-O 3.27Å; G418-A430 WeakPolarHBondContact CA-O 3.46Å
419	F	93.8	Very high	92.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	158.3	175.6	58.2	-101	0	0	0	110.8	V360 W364 F366 L395 W411 T412 L413 V421 A430 T432 T449	V360-F419 HydrophobicContact CG1-CD1 3.55Å; V360-F419 HydrophobicContact CG1-CE1 3.98Å; V360-F419 HydrophobicContact CG1-CG 4.21Å; W364-F419 HydrophobicContact CE3-CZ 4.47Å; W364-F419 HydrophobicContact CH2-CE1 4.13Å; W364-F419 HydrophobicContact CZ2-CE1 4.23Å; W364-F419 HydrophobicContact CZ3-CE1 4.42Å; W364-F419 HydrophobicContact CZ3-CZ 4.46Å; F366-F419 HydrophobicContact CE1-CE2 4.25Å; F366-F419 HydrophobicContact CE1-CZ 4.25Å; F366-F419 AromaticContact CZ-CE2 3.73Å; F366-F419 HydrophobicContact CZ-CE2 3.73Å; F366-F419 HydrophobicContact CZ-CZ 4.2Å; L395-F419 HydrophobicContact CD1-CD2 4.46Å; L395-F419 HydrophobicContact CD1-CE2 4.32Å; W411-F419 HydrophobicContact CE3-CB 4.39Å; T412-F419 CarbonylContact O-C 3.58Å; T412-F419 VanDerWaalsContact O-CA 3.22Å; T412-F419 WeakPolarHBondContact O-CA 3.25Å; T412-F419 WeakPolarHBondContact O-CB 3.42Å; L413-F419 HydrophobicContact CD2-CB 4.28Å; F419-V421 HydrophobicContact CD2-CG2 3.78Å; F419-V421 HydrophobicContact CE2-CG2 3.95Å; F419-A430 PolarHBondContact N-O 2.77Å; F419-A430 VanDerWaalsContact N-O 3.1Å; F419-A430 PolarHBondContact O-N 2.83Å; F419-T432 HydrophobicContact CD1-CG2 4.21Å; F419-T432 HydrophobicContact CE1-CG2 4.31Å; F419-T449 HydrophobicContact CE1-CG2 3.57Å; F419-T449 HydrophobicContact CE2-CG2 4.49Å; F419-T449 HydrophobicContact CZ-CG2 3.43Å; F419-T449 VanDerWaalsContact CZ-CG2 3.43Å
420	E	95.5	Very high	92	Very high	10 Å²	10	18.5 Å²	18.5	5%	0.047	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.7	167.8	-175.8	170.1	-91.2	0	0	109.4	W411 T412 I414 Y428 Y648 K653 Y692	W411-E420 CarbonylContact C-O 3.55Å; W411-E420 WeakPolarHBondContact CA-O 3.5Å; W411-E420 WeakPolarHBondContact CB-O 3.48Å; T412-E420 PolarHBondContact N-O 2.87Å; T412-E420 PolarHBondContact O-N 3.14Å; I414-E420 HydrophobicContact CD1-CB 4.03Å; E420-Y428 CarbonylContact C-O 3.53Å; E420-Y428 VanDerWaalsContact CA-O 3.3Å; E420-Y428 WeakPolarHBondContact CA-O 3.36Å; E420-Y648 PolarHBondContact OE2-OH 2.85Å; E420-Y648 VanDerWaalsContact OE2-OH 3.09Å; E420-K653 IonicContact OE1-NZ 3.15Å; E420-Y692 PolarHBondContact OE1-OH 2.89Å; E420-Y692 VanDerWaalsContact OE2-CE2 3.3Å; E420-Y692 WeakPolarHBondContact OE2-CE2 3.42Å; E420-Y692 PolarHBondContact OE2-OH 3.41Å
421	V	97.3	Very high	91.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.2	175.5	-174.6	0	0	0	0	108.5	F366 L395 A401 W411 F419 V423 K427 Y428	F366-V421 HydrophobicContact CE2-CB 4.42Å; F366-V421 HydrophobicContact CE2-CG2 4.16Å; F366-V421 HydrophobicContact CZ-CG2 3.99Å; L395-V421 HydrophobicContact CD1-CG2 4.16Å; L395-V421 HydrophobicContact CD2-CG1 4.05Å; L395-V421 HydrophobicContact CD2-CG2 3.69Å; A401-V421 HydrophobicContact CB-CG1 3.62Å; W411-V421 HydrophobicContact CB-CB 4.38Å; W411-V421 HydrophobicContact CB-CG1 4.42Å; W411-V421 HydrophobicContact CB-CG2 3.98Å; F419-V421 HydrophobicContact CD2-CG2 3.78Å; F419-V421 HydrophobicContact CE2-CG2 3.95Å; V421-V423 HydrophobicContact CG1-CG1 4.19Å; V421-K427 CarbonylContact O-C 3.51Å; V421-K427 VanDerWaalsContact O-CA 3.32Å; V421-K427 WeakPolarHBondContact O-CA 3.39Å; V421-Y428 HydrophobicContact CB-CD2 4.39Å; V421-Y428 PolarHBondContact N-O 2.04Å; V421-Y428 PolarHBondContact O-N 2.81Å
422	N	95.8	Very high	91.4	Very high	42 Å²	42	15.3 Å²	15.3	23%	0.225	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	109.2	174.3	-179.4	0.9	0	0	0	109.2	G409 V410 R426 K427	G409-N422 CarbonylContact C-O 3.2Å; G409-N422 WeakPolarHBondContact CA-O 3.5Å; V410-N422 HydrophobicContact CG2-CB 4.09Å; V410-N422 PolarHBondContact N-O 3.37Å; V410-N422 PolarHBondContact O-N 3.2Å; N422-R426 WeakPolarHBondContact CA-O 3.47Å; N422-K427 HydrophobicContact CB-CG 4.37Å
423	V	95.8	Very high	91.1	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.012	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	140.6	-179.4	62.7	0	0	0	0	109.4	M393 D403 N407 V421 N425 R426 Y428	M393-V423 HydrophobicContact CE-CG1 3.86Å; M393-V423 HydrophobicContact SD-CG1 3.81Å; D403-V423 HydrophobicContact CB-CG1 4.31Å; D403-V423 HydrophobicContact CB-CG2 4.06Å; N407-V423 HydrophobicContact CB-CG2 4.09Å; N407-V423 VanDerWaalsContact O-CG2 3.24Å; N407-V423 WeakPolarHBondContact O-CG2 3.36Å; V421-V423 HydrophobicContact CG1-CG1 4.19Å; V423-N425 VanDerWaalsContact C-N 3.35Å; V423-N425 PolarHBondContact O-N 3.22Å; V423-R426 PolarHBondContact N-O 3.41Å; V423-R426 PolarHBondContact O-N 2.83Å; V423-R426 VanDerWaalsContact O-O 3.14Å; V423-Y428 HydrophobicContact CG1-CE2 4.3Å
424	N	93.4	Very high	90.8	Very high	93 Å²	93	16.7 Å²	16.7	50%	0.497	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	50.3	176.5	-167.1	15.9	0	0	0	113.6	N407 R426	N407-N424 HydrophobicContact CB-CB 3.98Å; N407-N424 PolarHBondContact ND2-ND2 3.19Å; N424-R426 PolarHBondContact O-N 2.71Å; N424-R426 VanDerWaalsContact O-N 3.11Å
425	N	92.5	Very high	90.4	Very high	94 Å²	94	18.7 Å²	18.7	50%	0.503	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	23.1	-177.5	-68.2	-36.1	0	0	0	115.3	V423 D456 K457	V423-N425 VanDerWaalsContact C-N 3.35Å; V423-N425 PolarHBondContact O-N 3.22Å; N425-D456 CarbonylContact O-C 3.46Å; N425-D456 WeakPolarHBondContact O-CA 3.43Å; N425-K457 PolarHBondContact O-N 3.23Å
426	R	94.9	Very high	89.9	Confident	12 Å²	12	24.7 Å²	24.7	5%	0.045	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.5	177.7	-161.8	160.9	-173.7	83.3	4.2	110.9	E368 R371 N422 V423 N424 Y428 H455 D461 S463	E368-R426 IonicContact OE1-CZ 2.66Å; E368-R426 IonicContact OE1-NE 3.19Å; E368-R426 PolarHBondContact OE1-NE 2.78Å; E368-R426 IonicContact OE1-NH2 3.72Å; E368-R426 PolarHBondContact OE1-NH2 3.13Å; E368-R426 IonicContact OE2-NE 2.7Å; E368-R426 IonicContact OE2-NH2 2.8Å; R371-R426 VanDerWaalsContact NE-CZ 3.26Å; N422-R426 WeakPolarHBondContact CA-O 3.47Å; V423-R426 PolarHBondContact N-O 3.41Å; V423-R426 PolarHBondContact O-N 2.83Å; V423-R426 VanDerWaalsContact O-O 3.14Å; N424-R426 PolarHBondContact O-N 2.71Å; N424-R426 VanDerWaalsContact O-N 3.11Å; R426-Y428 HydrophobicContact CB-CE2 4.03Å; R426-Y428 WeakPolarHBondContact CD-OH 3.46Å; R426-Y428 HydrophobicContact CG-CE1 4.36Å; R426-Y428 HydrophobicContact CG-CE2 3.9Å; R426-H455 WeakPolarHBondContact CG-O 3Å; R426-D461 IonicContact NH1-OD2 2.69Å; R426-D461 PolarHBondContact NH1-OD2 3Å; R426-D461 VanDerWaalsContact NH1-OD2 3.15Å; R426-D461 PolarHBondContact NH2-O 3.31Å; R426-S463 PolarHBondContact NH2-OG 3.03Å
427	K	95.8	Very high	88.9	Confident	10 Å²	10	32.1 Å²	32.1	4%	0.043	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.1	178.1	-64.3	-168.6	179.1	-170.3	0	109.9	V421 N422 A454 H455 E656 Y692	V421-K427 CarbonylContact O-C 3.51Å; V421-K427 VanDerWaalsContact O-CA 3.32Å; V421-K427 WeakPolarHBondContact O-CA 3.39Å; N422-K427 HydrophobicContact CB-CG 4.37Å; K427-A454 CarbonylContact O-C 3.58Å; K427-A454 WeakPolarHBondContact O-CA 2.99Å; K427-A454 WeakPolarHBondContact O-CB 3.35Å; K427-H455 PolarHBondContact N-O 3.47Å; K427-H455 PolarHBondContact O-N 3.33Å; K427-H455 VanDerWaalsContact O-N 3.09Å; K427-E656 WeakPolarHBondContact CE-OE1 3.34Å; K427-E656 IonicContact NZ-OE1 2.89Å; K427-E656 PolarHBondContact NZ-OE1 2.76Å; K427-E656 IonicContact NZ-OE2 3.17Å; K427-E656 PolarHBondContact NZ-OE2 2.9Å; K427-Y692 VanDerWaalsContact NZ-CE1 3.32Å; K427-Y692 PolarHBondContact NZ-OH 2.82Å
428	Y	95.7	Very high	87.6	Confident	3 Å²	3	38 Å²	38	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	120.6	177	-57.1	-92	0	0	0	108.5	F366 Q391 M393 E420 V421 V423 R426 A454 F465	F366-Y428 AromaticContact CD2-CD1 3.82Å; F366-Y428 HydrophobicContact CD2-CD1 3.82Å; F366-Y428 HydrophobicContact CD2-CD2 4.35Å; F366-Y428 HydrophobicContact CD2-CE1 4.19Å; F366-Y428 AromaticContact CD2-CG 3.91Å; F366-Y428 HydrophobicContact CD2-CG 3.91Å; F366-Y428 HydrophobicContact CE2-CD1 4.23Å; F366-Y428 HydrophobicContact CE2-CD2 4.21Å; F366-Y428 AromaticContact CE2-CG 3.85Å; F366-Y428 HydrophobicContact CE2-CG 3.85Å; Q391-Y428 PolarHBondContact NE2-OH 2.79Å; Q391-Y428 PolarHBondContact OE1-OH 2.67Å; M393-Y428 HydrophobicContact CE-CE2 3.92Å; E420-Y428 CarbonylContact C-O 3.53Å; E420-Y428 VanDerWaalsContact CA-O 3.3Å; E420-Y428 WeakPolarHBondContact CA-O 3.36Å; V421-Y428 HydrophobicContact CB-CD2 4.39Å; V421-Y428 PolarHBondContact N-O 2.04Å; V421-Y428 PolarHBondContact O-N 2.81Å; V423-Y428 HydrophobicContact CG1-CE2 4.3Å; R426-Y428 HydrophobicContact CB-CE2 4.03Å; R426-Y428 WeakPolarHBondContact CD-OH 3.46Å; R426-Y428 HydrophobicContact CG-CE1 4.36Å; R426-Y428 HydrophobicContact CG-CE2 3.9Å; Y428-A454 HydrophobicContact CD1-CB 3.43Å; Y428-A454 VanDerWaalsContact CD1-CB 3.43Å; Y428-A454 HydrophobicContact CE1-CB 3.82Å; Y428-A454 HydrophobicContact CG-CB 4.2Å; Y428-F465 HydrophobicContact CD1-CD1 4.25Å; Y428-F465 HydrophobicContact CD1-CD2 4.14Å; Y428-F465 HydrophobicContact CD1-CE1 4.49Å; Y428-F465 HydrophobicContact CD1-CE2 4.39Å; Y428-F465 HydrophobicContact CD1-CG 4.07Å
429	F	93.9	Very high	85.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.6	178.4	165.6	-110.4	0	0	0	111.4	I414 F431 G452 W453 F465 Y638 L649 K653	I414-F429 HydrophobicContact CD1-CD2 3.34Å; I414-F429 HydrophobicContact CD1-CE2 3.21Å; I414-F429 HydrophobicContact CD1-CZ 4.4Å; F429-F431 HydrophobicContact CE1-CE2 4.25Å; F429-F431 HydrophobicContact CE1-CZ 4.42Å; F429-F431 HydrophobicContact CZ-CD1 4.48Å; F429-F431 HydrophobicContact CZ-CD2 4.37Å; F429-F431 HydrophobicContact CZ-CE1 4Å; F429-F431 AromaticContact CZ-CE2 3.88Å; F429-F431 HydrophobicContact CZ-CE2 3.88Å; F429-F431 AromaticContact CZ-CZ 3.68Å; F429-F431 HydrophobicContact CZ-CZ 3.68Å; F429-G452 WeakPolarHBondContact O-CA 3.37Å; F429-W453 HydrophobicContact CD1-CE3 4.11Å; F429-W453 HydrophobicContact CE1-CE3 4.31Å; F429-W453 HydrophobicContact CE1-CZ3 4.3Å; F429-W453 PolarHBondContact N-O 2.73Å; F429-W453 PolarHBondContact O-N 3.25Å; F429-F465 VanDerWaalsContact O-CE1 3.27Å; F429-F465 WeakPolarHBondContact O-CE1 3.45Å; F429-Y638 HydrophobicContact CD1-CE1 4.24Å; F429-Y638 HydrophobicContact CE1-CD1 4.02Å; F429-Y638 AromaticContact CE1-CE1 3.99Å; F429-Y638 HydrophobicContact CE1-CE1 3.99Å; F429-L649 HydrophobicContact CE1-CD2 4.49Å; F429-L649 HydrophobicContact CE2-CD2 3.89Å; F429-L649 HydrophobicContact CZ-CD1 4.4Å; F429-L649 HydrophobicContact CZ-CD2 3.84Å; F429-K653 HydrophobicContact CB-CD 4.28Å; F429-K653 HydrophobicContact CD1-CD 3.99Å; F429-K653 VanDerWaalsContact CD1-CE 3.43Å; F429-K653 HydrophobicContact CG-CD 3.98Å
430	A	91.8	Very high	83.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149.7	173.2	0	0	0	0	0	112.1	G418 F419 T449 F465	G418-A430 VanDerWaalsContact CA-O 3.27Å; G418-A430 WeakPolarHBondContact CA-O 3.46Å; F419-A430 PolarHBondContact N-O 2.77Å; F419-A430 VanDerWaalsContact N-O 3.1Å; F419-A430 PolarHBondContact O-N 2.83Å; A430-T449 HydrophobicContact CB-CG2 4.09Å; A430-F465 HydrophobicContact CB-CE1 4.07Å; A430-F465 HydrophobicContact CB-CE2 4.3Å; A430-F465 HydrophobicContact CB-CZ 3.58Å
431	F	89.8	Confident	82.2	Confident	11 Å²	11	53.4 Å²	53.4	5%	0.048	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	143.8	165	-63.4	-70.6	0	0	0	110	T351 Q417 F429 W434 T449 R450 L649	T351-F431 HydrophobicContact CG2-CB 4.34Å; T351-F431 HydrophobicContact CG2-CD1 3.88Å; T351-F431 HydrophobicContact CG2-CE1 4.34Å; T351-F431 HydrophobicContact CG2-CG 4.06Å; Q417-F431 HydrophobicContact CB-CD1 4.15Å; Q417-F431 HydrophobicContact CB-CE1 4.41Å; Q417-F431 WeakPolarHBondContact O-CA 3.47Å; F429-F431 HydrophobicContact CE1-CE2 4.25Å; F429-F431 HydrophobicContact CE1-CZ 4.42Å; F429-F431 HydrophobicContact CZ-CD1 4.48Å; F429-F431 HydrophobicContact CZ-CD2 4.37Å; F429-F431 HydrophobicContact CZ-CE1 4Å; F429-F431 AromaticContact CZ-CE2 3.88Å; F429-F431 HydrophobicContact CZ-CE2 3.88Å; F429-F431 AromaticContact CZ-CZ 3.68Å; F429-F431 HydrophobicContact CZ-CZ 3.68Å; F431-W434 HydrophobicContact CB-CZ3 4.16Å; F431-T449 WeakPolarHBondContact O-CA 3.14Å; F431-T449 WeakPolarHBondContact O-CB 3.25Å; F431-R450 PolarHBondContact O-N 2.75Å; F431-L649 HydrophobicContact CZ-CD1 4.4Å
432	T	89.3	Confident	80.8	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	154.8	170.9	45	0	0	0	0	110	S353 C355 V360 Q417 F419 W434	S353-T432 WeakPolarHBondContact CB-OG1 3.4Å; S353-T432 PolarHBondContact OG-OG1 2.77Å; C355-T432 HydrophobicContact CB-CG2 4.39Å; V360-T432 HydrophobicContact CG2-CG2 4.31Å; Q417-T432 PolarHBondContact O-N 2.99Å; Q417-T432 PolarHBondContact O-OG1 3.28Å; Q417-T432 VanDerWaalsContact O-OG1 3.04Å; F419-T432 HydrophobicContact CD1-CG2 4.21Å; F419-T432 HydrophobicContact CE1-CG2 4.31Å; T432-W434 VanDerWaalsContact O-CZ3 3.32Å; T432-W434 WeakPolarHBondContact O-CZ3 3.36Å
433	E	89	Confident	79.8	Confident	43 Å²	43	55.7 Å²	55.7	20%	0.201	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	154.9	-175.6	-176.3	57.5	-91.9	0	0	111.4	I445 K448 R450	E433-I445 HydrophobicContact CB-CB 3.91Å; E433-I445 HydrophobicContact CB-CG2 4.17Å; E433-I445 HydrophobicContact CG-CB 4.12Å; E433-I445 HydrophobicContact CG-CD1 4.05Å; E433-I445 HydrophobicContact CG-CG2 4.37Å; E433-I445 PolarHBondContact N-O 2.89Å; E433-I445 WeakPolarHBondContact O-CA 3.42Å; E433-I445 PolarHBondContact O-N 3.22Å; E433-K448 HydrophobicContact CB-CB 3.79Å; E433-K448 HydrophobicContact CG-CB 4.35Å; E433-K448 PolarHBondContact N-O 2.91Å; E433-R450 IonicContact OE1-CZ 3.89Å; E433-R450 IonicContact OE1-NE 2.69Å; E433-R450 IonicContact OE1-NH1 2.96Å; E433-R450 PolarHBondContact OE1-NH1 2.95Å; E433-R450 IonicContact OE1-NH2 2.95Å; E433-R450 PolarHBondContact OE1-NH2 3.2Å
434	W	83	Confident	79.2	Confident	5 Å²	5	57.2 Å²	57.2	2%	0.019	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	150.5	173	68.2	86	0	0	0	110.6	T351 P352 F431 T432 I443 R450	T351-W434 HydrophobicContact CG2-CE3 4.17Å; T351-W434 HydrophobicContact CG2-CH2 3.41Å; T351-W434 VanDerWaalsContact CG2-CH2 3.41Å; T351-W434 HydrophobicContact CG2-CZ2 4.24Å; T351-W434 HydrophobicContact CG2-CZ3 3.38Å; P352-W434 HydrophobicContact CB-CG 4.1Å; P352-W434 HydrophobicContact CG-CG 4.25Å; F431-W434 HydrophobicContact CB-CZ3 4.16Å; T432-W434 VanDerWaalsContact O-CZ3 3.32Å; T432-W434 WeakPolarHBondContact O-CZ3 3.36Å; W434-I443 CarbonylContact C-O 3.45Å; W434-I443 VanDerWaalsContact CA-O 3.23Å; W434-I443 WeakPolarHBondContact CA-O 2.95Å; W434-R450 VanDerWaalsContact CE2-CZ 3.44Å; W434-R450 PolarHBondContact O-NH2 3.47Å
435	T	79	Confident	78.9	Confident	43 Å²	43	54.7 Å²	54.7	26%	0.264	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143	171.9	52.4	0	0	0	0	110.4	A442 I443 I445	T435-A442 CarbonylContact O-C 3.45Å; T435-A442 WeakPolarHBondContact O-CA 3.42Å; T435-I443 PolarHBondContact N-O 3.15Å; T435-I443 PolarHBondContact O-N 2.58Å; T435-I445 HydrophobicContact CG2-CD1 3.68Å
436	E	70.6	Confident	78.8	Confident	140 Å²	140	50.5 Å²	50.5	65%	0.654	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.6	169.7	-64.2	-168.1	169.8	0	0	109.5
437	R	59.1	Low	78.6	Confident	165 Å²	165	50.7 Å²	50.7	62%	0.623	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	151.7	166.2	-68	-169.5	174.5	-171.9	1.8	110.2	G439 H440 H441 I443	R437-G439 PolarHBondContact O-N 3.1Å; R437-H440 PolarHBondContact O-N 3.21Å; R437-H441 WeakPolarHBondContact CB-O 3.18Å; R437-H441 PolarHBondContact N-O 2.84Å; R437-I443 HydrophobicContact CG-CD1 4.3Å; R437-I443 VanDerWaalsContact NE-CD1 3.26Å
438	S	53.8	Low	78.4	Confident	124 Å²	124	54.2 Å²	54.2	87%	0.867	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.2	128.2	166.2	50.9	0	0	0	0	110.8
439	G	51.5	Low	78.3	Confident	53 Å²	53	54.5 Å²	54.5	55%	0.546	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	26.4	-177.2	0	0	0	0	0	115.4	R437 H441	R437-G439 PolarHBondContact O-N 3.1Å; G439-H441 PolarHBondContact O-N 3.37Å; G439-H441 VanDerWaalsContact O-N 3.1Å; G439-H441 PolarHBondContact O-ND1 3.43Å
440	H	52.9	Low	78.1	Confident	152 Å²	152	56.7 Å²	56.7	70%	0.704	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	19.6	173.5	-57.8	84.2	0	0	0	115.4	R437 R498	R437-H440 PolarHBondContact O-N 3.21Å; H440-R498 PolarHBondContact O-NH1 3.12Å
441	H	60.5	Low	78	Confident	128 Å²	128	57.7 Å²	57.7	59%	0.593	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	105.6	172.8	-76	81.1	0	0	0	108.6	R437 G439	R437-H441 WeakPolarHBondContact CB-O 3.18Å; R437-H441 PolarHBondContact N-O 2.84Å; G439-H441 PolarHBondContact O-N 3.37Å; G439-H441 VanDerWaalsContact O-N 3.1Å; G439-H441 PolarHBondContact O-ND1 3.43Å
442	A	68.3	Low	78	Confident	31 Å²	31	57.2 Å²	57.2	26%	0.256	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	146.4	170.7	0	0	0	0	0	111.3	P352 T435	P352-A442 HydrophobicContact CB-CB 3.03Å; P352-A442 HydrophobicContact CG-CB 3.99Å; T435-A442 CarbonylContact O-C 3.45Å; T435-A442 WeakPolarHBondContact O-CA 3.42Å
443	I	75.6	Confident	78.2	Confident	60 Å²	60	58.3 Å²	58.3	31%	0.308	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.8	175.3	-60.1	174.2	0	0	0	107.5	W434 T435 R437	W434-I443 CarbonylContact C-O 3.45Å; W434-I443 VanDerWaalsContact CA-O 3.23Å; W434-I443 WeakPolarHBondContact CA-O 2.95Å; T435-I443 PolarHBondContact N-O 3.15Å; T435-I443 PolarHBondContact O-N 2.58Å; R437-I443 HydrophobicContact CG-CD1 4.3Å; R437-I443 VanDerWaalsContact NE-CD1 3.26Å
444	S	82.9	Confident	78.4	Confident	33 Å²	33	56.2 Å²	56.2	23%	0.231	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.3	172.3	-38.7	0	0	0	0	110.4	N354	N354-S444 PolarHBondContact N-OG 2.89Å; N354-S444 WeakPolarHBondContact O-CB 3.22Å; N354-S444 PolarHBondContact O-OG 2.99Å
445	I	87.7	Confident	79	Confident	41 Å²	41	56 Å²	56	21%	0.21	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	94.2	173.9	-62.4	173.3	0	0	0	106.8	E433 T435 D447 K448	E433-I445 HydrophobicContact CB-CB 3.91Å; E433-I445 HydrophobicContact CB-CG2 4.17Å; E433-I445 HydrophobicContact CG-CB 4.12Å; E433-I445 HydrophobicContact CG-CD1 4.05Å; E433-I445 HydrophobicContact CG-CG2 4.37Å; E433-I445 PolarHBondContact N-O 2.89Å; E433-I445 WeakPolarHBondContact O-CA 3.42Å; E433-I445 PolarHBondContact O-N 3.22Å; T435-I445 HydrophobicContact CG2-CD1 3.68Å; I445-D447 VanDerWaalsContact C-N 3.32Å; I445-D447 WeakPolarHBondContact CG2-OD1 3.49Å; I445-D447 PolarHBondContact O-N 3.1Å; I445-K448 HydrophobicContact CG2-CB 3.94Å; I445-K448 HydrophobicContact CG2-CD 4.38Å; I445-K448 HydrophobicContact CG2-CG 3.89Å; I445-K448 VanDerWaalsContact O-O 3.14Å
446	C	89.4	Confident	79.7	Confident	6 Å²	6	55.1 Å²	55.1	4%	0.041	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-0.6	-169.7	-56.7	0	0	0	0	114.5	C355 E359 W364	C355-C446 WeakPolarHBondContact CA-SG 3.42Å; C355-C446 HydrophobicContact CB-CB 3.74Å; C355-C446 WeakPolarHBondContact CB-SG 3Å; C355-C446 WeakPolarHBondContact SG-CA 3.33Å; C355-C446 WeakPolarHBondContact SG-CB 3.34Å; C355-C446 CovalentContact SG-SG 2.04Å; C355-C446 PolarHBondContact SG-SG 3.01Å; E359-C446 HydrophobicContact CB-CB 3.72Å; W364-C446 VanDerWaalsContact CH2-O 3.32Å; W364-C446 WeakPolarHBondContact CH2-O 3.14Å; W364-C446 WeakPolarHBondContact CZ2-O 3.17Å
447	D	91	Very high	80.4	Confident	16 Å²	16	51.9 Å²	51.9	9%	0.086	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	7.8	175.3	54.1	17.5	0	0	0	112.8	W364 I445 Q468 K469 R472 S473	W364-D447 WeakPolarHBondContact CZ3-O 3.49Å; I445-D447 VanDerWaalsContact C-N 3.32Å; I445-D447 WeakPolarHBondContact CG2-OD1 3.49Å; I445-D447 PolarHBondContact O-N 3.1Å; D447-Q468 PolarHBondContact O-NE2 2.92Å; D447-K469 HydrophobicContact CB-CB 3.75Å; D447-K469 HydrophobicContact CB-CD 4.35Å; D447-K469 PolarHBondContact O-N 2.84Å; D447-R472 WeakPolarHBondContact OD2-CA 3.22Å; D447-S473 PolarHBondContact OD2-N 3.11Å; D447-S473 PolarHBondContact OD2-OG 3.13Å
448	K	92.1	Very high	81.6	Confident	83 Å²	83	51.2 Å²	51.2	36%	0.361	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.7	173.2	-56.9	-161.1	-174.4	-139.7	0	111	E433 I445 G467 Q468	E433-K448 HydrophobicContact CB-CB 3.79Å; E433-K448 HydrophobicContact CG-CB 4.35Å; E433-K448 PolarHBondContact N-O 2.91Å; I445-K448 HydrophobicContact CG2-CB 3.94Å; I445-K448 HydrophobicContact CG2-CD 4.38Å; I445-K448 HydrophobicContact CG2-CG 3.89Å; I445-K448 VanDerWaalsContact O-O 3.14Å; K448-G467 CarbonylContact C-O 3.5Å; K448-G467 WeakPolarHBondContact CA-O 3.47Å; K448-Q468 VanDerWaalsContact CG-OE1 3.23Å
449	T	92.7	Very high	83.2	Confident	9 Å²	9	46.4 Å²	46.4	6%	0.055	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	153.7	167.1	80	0	0	0	0	110.5	W364 F419 A430 F431 G467	W364-T449 HydrophobicContact CH2-CG2 4.47Å; W364-T449 HydrophobicContact CZ3-CG2 3.93Å; F419-T449 HydrophobicContact CE1-CG2 3.57Å; F419-T449 HydrophobicContact CE2-CG2 4.49Å; F419-T449 HydrophobicContact CZ-CG2 3.43Å; F419-T449 VanDerWaalsContact CZ-CG2 3.43Å; A430-T449 HydrophobicContact CB-CG2 4.09Å; F431-T449 WeakPolarHBondContact O-CA 3.14Å; F431-T449 WeakPolarHBondContact O-CB 3.25Å; T449-G467 PolarHBondContact N-O 2.98Å; T449-G467 PolarHBondContact OG1-N 2.76Å
450	R	89.7	Confident	85	Confident	47 Å²	47	50.9 Å²	50.9	18%	0.177	24%	0.238	C	C	.	.			trans	-65.6	159.5	156.5	-83.4	-172.7	162	64	8.4	109.5	F431 E433 W434 G452	F431-R450 PolarHBondContact O-N 2.75Å; E433-R450 IonicContact OE1-CZ 3.89Å; E433-R450 IonicContact OE1-NE 2.69Å; E433-R450 IonicContact OE1-NH1 2.96Å; E433-R450 PolarHBondContact OE1-NH1 2.95Å; E433-R450 IonicContact OE1-NH2 2.95Å; E433-R450 PolarHBondContact OE1-NH2 3.2Å; W434-R450 VanDerWaalsContact CE2-CZ 3.44Å; W434-R450 PolarHBondContact O-NH2 3.47Å; R450-G452 PolarHBondContact O-N 2.87Å
451	P	90.2	Very high	86.9	Confident	21 Å²	21	46.6 Å²	46.6	14%	0.136	22%	0.221	C	C	.	.	S	Bend	trans	-54.7	124	167.9	-25	34.9	0	0	0	110.8	C379 P384 F465	C379-P451 WeakPolarHBondContact O-CB 3.32Å; P384-P451 HydrophobicContact CG-CG 4.04Å; P451-F465 CarbonylContact C-O 3.54Å; P451-F465 WeakPolarHBondContact CA-O 3.46Å
452	G	90.4	Very high	88.5	Confident	1 Å²	1	41 Å²	41	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	-162	179.3	0	0	0	0	0	111.7	C379 F429 R450 C464 F465	C379-G452 WeakPolarHBondContact CB-O 3.2Å; F429-G452 WeakPolarHBondContact O-CA 3.37Å; R450-G452 PolarHBondContact O-N 2.87Å; G452-C464 WeakPolarHBondContact O-CA 3.37Å; G452-F465 PolarHBondContact N-O 3.04Å; G452-F465 PolarHBondContact O-N 3.29Å; G452-F465 VanDerWaalsContact O-N 3.08Å
453	W	91.8	Very high	89.7	Confident	23 Å²	23	39.5 Å²	39.5	9%	0.087	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.1	-173.2	-59.4	-98.5	0	0	0	111.1	T377 C379 F429 W462 F465	T377-W453 PolarHBondContact O-NE1 3.48Å; C379-W453 HydrophobicContact CB-CD2 4.39Å; C379-W453 HydrophobicContact CB-CG 4.43Å; C379-W453 HydrophobicContact CB-CZ2 4.48Å; F429-W453 HydrophobicContact CD1-CE3 4.11Å; F429-W453 HydrophobicContact CE1-CE3 4.31Å; F429-W453 HydrophobicContact CE1-CZ3 4.3Å; F429-W453 PolarHBondContact N-O 2.73Å; F429-W453 PolarHBondContact O-N 3.25Å; W453-W462 HydrophobicContact CB-CE3 4.16Å; W453-W462 HydrophobicContact CB-CZ3 3.84Å; W453-W462 HydrophobicContact CG-CZ3 4.15Å; W453-F465 VanDerWaalsContact O-CE1 3.24Å; W453-F465 WeakPolarHBondContact O-CE1 3.37Å
454	A	94.4	Very high	90.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.2	170.4	0	0	0	0	0	111	K427 Y428 W462 S463 F465	K427-A454 CarbonylContact O-C 3.58Å; K427-A454 WeakPolarHBondContact O-CA 2.99Å; K427-A454 WeakPolarHBondContact O-CB 3.35Å; Y428-A454 HydrophobicContact CD1-CB 3.43Å; Y428-A454 VanDerWaalsContact CD1-CB 3.43Å; Y428-A454 HydrophobicContact CE1-CB 3.82Å; Y428-A454 HydrophobicContact CG-CB 4.2Å; A454-W462 CarbonylContact O-C 3.38Å; A454-W462 WeakPolarHBondContact O-CA 3.44Å; A454-S463 PolarHBondContact N-O 3.17Å; A454-S463 PolarHBondContact O-N 2.99Å; A454-S463 PolarHBondContact O-OG 2.81Å; A454-F465 HydrophobicContact CB-CD1 3.88Å; A454-F465 HydrophobicContact CB-CG 4.42Å
455	H	95	Very high	91.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	167.3	-179.9	58.9	87.1	0	0	0	110.8	R426 K427 R460 W462 K653 E656 D657	R426-H455 WeakPolarHBondContact CG-O 3Å; K427-H455 PolarHBondContact N-O 3.47Å; K427-H455 PolarHBondContact O-N 3.33Å; K427-H455 VanDerWaalsContact O-N 3.09Å; H455-R460 WeakPolarHBondContact CB-O 3.23Å; H455-W462 HydrophobicContact CB-CD2 3.75Å; H455-W462 HydrophobicContact CB-CE3 4.2Å; H455-W462 HydrophobicContact CB-CG 3.94Å; H455-W462 HydrophobicContact CB-CZ2 4.42Å; H455-W462 AromaticContact CD2-CH2 3.6Å; H455-W462 AromaticContact CD2-CZ2 3.82Å; H455-W462 AromaticContact CD2-CZ3 3.7Å; H455-K653 PolarHBondContact NE2-NZ 2.57Å; H455-K653 VanDerWaalsContact NE2-NZ 3.18Å; H455-E656 IonicContact CE1-OE1 3.57Å; H455-D657 IonicContact CE1-OD1 3.94Å; H455-D657 PolarHBondContact CE1-OD1 3.21Å; H455-D657 IonicContact NE2-OD1 2.58Å; H455-D657 PolarHBondContact NE2-OD1 3.16Å; H455-D657 VanDerWaalsContact NE2-OD1 3.15Å; H455-D657 IonicContact NE2-OD2 3.41Å
456	D	93.1	Very high	91.4	Very high	24 Å²	24	33.5 Å²	33.5	13%	0.128	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	164.2	172	82.3	-2.9	0	0	0	111.3	N425 Y458 S459 R460	N425-D456 CarbonylContact O-C 3.46Å; N425-D456 WeakPolarHBondContact O-CA 3.43Å; D456-Y458 PolarHBondContact O-N 3Å; D456-Y458 VanDerWaalsContact OD1-C 3.23Å; D456-Y458 WeakPolarHBondContact OD1-CA 3.4Å; D456-Y458 WeakPolarHBondContact OD1-CB 3.26Å; D456-Y458 PolarHBondContact OD1-N 3.33Å; D456-S459 PolarHBondContact O-N 3.36Å; D456-S459 PolarHBondContact OD1-N 2.88Å; D456-R460 PolarHBondContact N-O 3.33Å; D456-R460 WeakPolarHBondContact OD1-CA 2.78Å; D456-R460 WeakPolarHBondContact OD1-CB 3.38Å; D456-R460 PolarHBondContact OD1-N 3.45Å; D456-R460 IonicContact OD2-CZ 2.68Å; D456-R460 IonicContact OD2-NE 2.91Å; D456-R460 PolarHBondContact OD2-NE 3Å; D456-R460 VanDerWaalsContact OD2-NE 3.15Å; D456-R460 IonicContact OD2-NH2 3.4Å; D456-R460 PolarHBondContact OD2-NH2 3.46Å; D456-R460 VanDerWaalsContact OD2-NH2 3.12Å
457	K	86.4	Confident	91.6	Very high	73 Å²	73	33.4 Å²	33.4	32%	0.317	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-18.5	178.1	-175.3	175.2	177.9	-178.4	0	113.5	N425	N425-K457 PolarHBondContact O-N 3.23Å
458	Y	85.2	Confident	91.6	Very high	150 Å²	150	34.6 Å²	34.6	59%	0.588	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	13.4	-176.9	-50.8	-74.6	0	0	0	112.8	D456 R460	D456-Y458 PolarHBondContact O-N 3Å; D456-Y458 VanDerWaalsContact OD1-C 3.23Å; D456-Y458 WeakPolarHBondContact OD1-CA 3.4Å; D456-Y458 WeakPolarHBondContact OD1-CB 3.26Å; D456-Y458 PolarHBondContact OD1-N 3.33Å; Y458-R460 VanDerWaalsContact C-N 3.29Å; Y458-R460 PolarHBondContact O-N 3.49Å
459	S	86.6	Confident	91.5	Very high	23 Å²	23	31 Å²	31	16%	0.161	14%	0.139	C	C	.	.	S	Bend	trans	59.4	35.4	-177.6	-150.8	0	0	0	0	114.2	D456 W462 D657	D456-S459 PolarHBondContact O-N 3.36Å; D456-S459 PolarHBondContact OD1-N 2.88Å; S459-W462 PolarHBondContact O-NE1 3.3Å; S459-W462 VanDerWaalsContact OG-CZ2 3.29Å; S459-W462 WeakPolarHBondContact OG-CZ2 3.12Å; S459-D657 WeakPolarHBondContact OG-CA 3.21Å; S459-D657 PolarHBondContact OG-OD1 3.49Å
460	R	88.4	Confident	91.1	Very high	147 Å²	147	31.8 Å²	31.8	56%	0.555	14%	0.142	S	C	*	.			trans	-118.6	175.2	173.3	-53.2	173.2	-59.3	-170.6	1	109.8	H455 D456 Y458 W462	H455-R460 WeakPolarHBondContact CB-O 3.23Å; D456-R460 PolarHBondContact N-O 3.33Å; D456-R460 WeakPolarHBondContact OD1-CA 2.78Å; D456-R460 WeakPolarHBondContact OD1-CB 3.38Å; D456-R460 PolarHBondContact OD1-N 3.45Å; D456-R460 IonicContact OD2-CZ 2.68Å; D456-R460 IonicContact OD2-NE 2.91Å; D456-R460 PolarHBondContact OD2-NE 3Å; D456-R460 VanDerWaalsContact OD2-NE 3.15Å; D456-R460 IonicContact OD2-NH2 3.4Å; D456-R460 PolarHBondContact OD2-NH2 3.46Å; D456-R460 VanDerWaalsContact OD2-NH2 3.12Å; Y458-R460 VanDerWaalsContact C-N 3.29Å; Y458-R460 PolarHBondContact O-N 3.49Å; R460-W462 PolarHBondContact O-N 3.19Å
461	D	92.4	Very high	90.2	Very high	63 Å²	63	32.7 Å²	32.7	34%	0.337	15%	0.149	S	C	.	.	S	Bend	trans	55.8	50.5	173.3	-169.4	43.7	0	0	0	113.5	R371 G372 R426	R371-D461 WeakPolarHBondContact CB-OD1 3.49Å; R371-D461 WeakPolarHBondContact CD-OD2 3Å; R371-D461 IonicContact NH1-OD2 2.73Å; G372-D461 PolarHBondContact N-OD1 3.5Å; R426-D461 IonicContact NH1-OD2 2.69Å; R426-D461 PolarHBondContact NH1-OD2 3Å; R426-D461 VanDerWaalsContact NH1-OD2 3.15Å; R426-D461 PolarHBondContact NH2-O 3.31Å
462	W	94.7	Very high	88.7	Confident	9 Å²	9	39.9 Å²	39.9	3%	0.034	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-69.7	152.8	-175.7	-69.7	71.6	0	0	0	112.4	R371 G372 L373 K375 W453 A454 H455 S459 R460 D657	R371-W462 CarbonylContact C-O 3.5Å; R371-W462 WeakPolarHBondContact CA-O 3.01Å; G372-W462 PolarHBondContact N-O 3.33Å; L373-W462 HydrophobicContact CB-CB 4.3Å; L373-W462 WeakPolarHBondContact CB-O 3.27Å; L373-W462 PolarHBondContact N-O 2.66Å; L373-W462 WeakPolarHBondContact O-CB 3.42Å; K375-W462 HydrophobicContact CB-CD2 3.68Å; K375-W462 HydrophobicContact CB-CE3 4.19Å; K375-W462 HydrophobicContact CB-CG 4.15Å; K375-W462 HydrophobicContact CB-CH2 4.05Å; K375-W462 HydrophobicContact CB-CZ2 3.52Å; K375-W462 HydrophobicContact CB-CZ3 4.36Å; K375-W462 HydrophobicContact CD-CZ2 4.49Å; W453-W462 HydrophobicContact CB-CE3 4.16Å; W453-W462 HydrophobicContact CB-CZ3 3.84Å; W453-W462 HydrophobicContact CG-CZ3 4.15Å; A454-W462 CarbonylContact O-C 3.38Å; A454-W462 WeakPolarHBondContact O-CA 3.44Å; H455-W462 HydrophobicContact CB-CD2 3.75Å; H455-W462 HydrophobicContact CB-CE3 4.2Å; H455-W462 HydrophobicContact CB-CG 3.94Å; H455-W462 HydrophobicContact CB-CZ2 4.42Å; H455-W462 AromaticContact CD2-CH2 3.6Å; H455-W462 AromaticContact CD2-CZ2 3.82Å; H455-W462 AromaticContact CD2-CZ3 3.7Å; S459-W462 PolarHBondContact O-NE1 3.3Å; S459-W462 VanDerWaalsContact OG-CZ2 3.29Å; S459-W462 WeakPolarHBondContact OG-CZ2 3.12Å; R460-W462 PolarHBondContact O-N 3.19Å; W462-D657 HydrophobicContact CH2-CB 4Å; W462-D657 HydrophobicContact CZ2-CB 4.1Å
463	S	94.2	Very high	86.9	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	161.3	176.2	56.6	0	0	0	0	109.7	E368 S369 R426 A454	E368-S463 PolarHBondContact OE1-OG 2.87Å; S369-S463 WeakPolarHBondContact OG-CB 3.5Å; R426-S463 PolarHBondContact NH2-OG 3.03Å; A454-S463 PolarHBondContact N-O 3.17Å; A454-S463 PolarHBondContact O-N 2.99Å; A454-S463 PolarHBondContact O-OG 2.81Å
464	C	93.8	Very high	84.8	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	147.7	166.4	-57.4	0	0	0	0	109.2	S369 C379 T382 F387 G452	S369-C464 PolarHBondContact N-O 2.83Å; S369-C464 PolarHBondContact OG-N 3.31Å; S369-C464 PolarHBondContact OG-O 2.89Å; C379-C464 WeakPolarHBondContact CA-SG 3.34Å; C379-C464 HydrophobicContact CB-CB 3.66Å; C379-C464 WeakPolarHBondContact CB-SG 3.46Å; C379-C464 WeakPolarHBondContact SG-CA 3.33Å; C379-C464 WeakPolarHBondContact SG-CB 3.43Å; C379-C464 CovalentContact SG-SG 2.04Å; C379-C464 PolarHBondContact SG-SG 3.27Å; T382-C464 HydrophobicContact CG2-CB 4.46Å; F387-C464 HydrophobicContact CE1-CB 4.19Å; F387-C464 HydrophobicContact CE2-CB 4.37Å; F387-C464 HydrophobicContact CZ-CB 3.61Å; G452-C464 WeakPolarHBondContact O-CA 3.37Å
465	F	93.7	Very high	82.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	160.6	172.3	88	-74.3	0	0	0	112	F366 F367 E368 Y428 F429 A430 P451 G452 W453 A454	F366-F465 HydrophobicContact CB-CD2 4.38Å; F366-F465 HydrophobicContact CD1-CE2 4.47Å; F366-F465 HydrophobicContact CD2-CD2 4.05Å; F366-F465 AromaticContact CD2-CE2 4Å; F366-F465 HydrophobicContact CD2-CE2 4Å; F366-F465 HydrophobicContact CE1-CE2 4.49Å; F366-F465 HydrophobicContact CE2-CE2 4.03Å; F366-F465 HydrophobicContact CG-CD2 4.1Å; F366-F465 HydrophobicContact CG-CE2 4.25Å; F366-F465 HydrophobicContact CZ-CE2 4.3Å; F367-F465 CarbonylContact O-C 3.56Å; F367-F465 WeakPolarHBondContact O-CA 2.91Å; F367-F465 VanDerWaalsContact O-CB 3.31Å; F367-F465 WeakPolarHBondContact O-CB 3.46Å; E368-F465 HydrophobicContact CB-CB 4.42Å; Y428-F465 HydrophobicContact CD1-CD1 4.25Å; Y428-F465 HydrophobicContact CD1-CD2 4.14Å; Y428-F465 HydrophobicContact CD1-CE1 4.49Å; Y428-F465 HydrophobicContact CD1-CE2 4.39Å; Y428-F465 HydrophobicContact CD1-CG 4.07Å; F429-F465 VanDerWaalsContact O-CE1 3.27Å; F429-F465 WeakPolarHBondContact O-CE1 3.45Å; A430-F465 HydrophobicContact CB-CE1 4.07Å; A430-F465 HydrophobicContact CB-CE2 4.3Å; A430-F465 HydrophobicContact CB-CZ 3.58Å; P451-F465 CarbonylContact C-O 3.54Å; P451-F465 WeakPolarHBondContact CA-O 3.46Å; G452-F465 PolarHBondContact N-O 3.04Å; G452-F465 PolarHBondContact O-N 3.29Å; G452-F465 VanDerWaalsContact O-N 3.08Å; W453-F465 VanDerWaalsContact O-CE1 3.24Å; W453-F465 WeakPolarHBondContact O-CE1 3.37Å; A454-F465 HydrophobicContact CB-CD1 3.88Å; A454-F465 HydrophobicContact CB-CG 4.42Å
466	A	93.5	Very high	80.1	Confident	5 Å²	5	58.4 Å²	58.4	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.7	167.1	0	0	0	0	0	110.1	F366 F367 P384 F387	F366-A466 WeakPolarHBondContact CA-O 3.4Å; F367-A466 PolarHBondContact N-O 2.92Å; F367-A466 PolarHBondContact O-N 3.18Å; P384-A466 HydrophobicContact CB-CB 3.79Å; P384-A466 HydrophobicContact CG-CB 3.63Å; F387-A466 HydrophobicContact CE2-CB 4.41Å
467	G	93.6	Very high	77.5	Confident	4 Å²	4	65.7 Å²	65.7	4%	0.041	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139	179.8	0	0	0	0	0	112.4	K365 K448 T449	K365-G467 WeakPolarHBondContact O-CA 3.32Å; K448-G467 CarbonylContact C-O 3.5Å; K448-G467 WeakPolarHBondContact CA-O 3.47Å; T449-G467 PolarHBondContact N-O 2.98Å; T449-G467 PolarHBondContact OG1-N 2.76Å
468	Q	92.1	Very high	75	Confident	41 Å²	41	66.1 Å²	66.1	19%	0.192	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	121.5	168	175.8	65.2	71.9	0	0	108.8	W364 K365 F367 D447 K448	W364-Q468 WeakPolarHBondContact CA-O 3.14Å; K365-Q468 PolarHBondContact N-O 3.35Å; K365-Q468 PolarHBondContact O-N 3.37Å; F367-Q468 HydrophobicContact CE2-CB 3.94Å; D447-Q468 PolarHBondContact O-NE2 2.92Å; K448-Q468 VanDerWaalsContact CG-OE1 3.23Å
469	K	90.3	Very high	72.7	Confident	7 Å²	7	68 Å²	68	3%	0.03	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	137.5	171.2	-159.4	179.8	-173	179.2	0	108.5	E359 A361 T363 W364 D447 Q471	E359-K469 PolarHBondContact O-NZ 3.42Å; A361-K469 WeakPolarHBondContact O-CE 3.12Å; A361-K469 PolarHBondContact O-NZ 2.78Å; T363-K469 WeakPolarHBondContact O-CG 3.3Å; W364-K469 HydrophobicContact CD2-CB 3.82Å; W364-K469 HydrophobicContact CD2-CG 4.21Å; W364-K469 HydrophobicContact CE3-CB 4.06Å; W364-K469 HydrophobicContact CG-CB 4.4Å; W364-K469 HydrophobicContact CG-CG 4.42Å; W364-K469 HydrophobicContact CH2-CB 4.07Å; W364-K469 HydrophobicContact CZ2-CB 3.83Å; W364-K469 HydrophobicContact CZ2-CD 4.19Å; W364-K469 HydrophobicContact CZ2-CG 4.21Å; W364-K469 HydrophobicContact CZ3-CB 4.17Å; D447-K469 HydrophobicContact CB-CB 3.75Å; D447-K469 HydrophobicContact CB-CD 4.35Å; D447-K469 PolarHBondContact O-N 2.84Å; K469-Q471 VanDerWaalsContact C-N 3.27Å; K469-Q471 WeakPolarHBondContact CB-O 3.41Å; K469-Q471 HydrophobicContact CD-CB 4.19Å; K469-Q471 HydrophobicContact CG-CB 4.23Å
470	I	83	Confident	70.1	Confident	26 Å²	26	76.5 Å²	76.5	13%	0.133	34%	0.341	C	S	.	.	S	Bend	trans	-63.6	-43.1	177.4	-58.3	-175	0	0	0	108.9	Q132 M328 T363 K365 R472	Q132-I470 HydrophobicContact CG-CG2 4.43Å; M328-I470 HydrophobicContact SD-CD1 3.51Å; M328-I470 VanDerWaalsContact SD-CD1 3.51Å; M328-I470 HydrophobicContact SD-CG2 4.19Å; T363-I470 HydrophobicContact CG2-CD1 3.47Å; T363-I470 VanDerWaalsContact CG2-CD1 3.47Å; T363-I470 HydrophobicContact CG2-CG1 4.29Å; T363-I470 PolarHBondContact O-N 2.68Å; K365-I470 HydrophobicContact CG-CD1 4.26Å; K365-I470 HydrophobicContact CG-CG1 4.06Å; I470-R472 PolarHBondContact O-N 2.81Å
471	Q	71.4	Confident	67.4	Low	67 Å²	67	76 Å²	76	31%	0.313	35%	0.345	S	S	.	.	S	Bend	trans	-69.8	118.4	167.9	-174.2	167.4	30.1	0	0	112.1	Q132 K469 S473	Q132-Q471 HydrophobicContact CG-CB 4.37Å; K469-Q471 VanDerWaalsContact C-N 3.27Å; K469-Q471 WeakPolarHBondContact CB-O 3.41Å; K469-Q471 HydrophobicContact CD-CB 4.19Å; K469-Q471 HydrophobicContact CG-CB 4.23Å; Q471-S473 PolarHBondContact O-N 3.29Å
472	R	59.7	Low	64.4	Low	172 Å²	172	80.2 Å²	80.2	65%	0.649	36%	0.357	S	S	*	.			trans	-64.8	124.4	155	-70.4	-170.8	179.5	-170.2	1.3	108	D447 I470 H474	D447-R472 WeakPolarHBondContact OD2-CA 3.22Å; I470-R472 PolarHBondContact O-N 2.81Å; R472-H474 VanDerWaalsContact C-N 3.34Å; R472-H474 PolarHBondContact O-N 3.19Å
473	S	51.5	Low	61.2	Low	15 Å²	15	87.5 Å²	87.5	11%	0.105	39%	0.389	C	S	.	.			trans	-59.4	95.1	176.6	57.3	0	0	0	0	109.6	D447 Q471 K475 L476	D447-S473 PolarHBondContact OD2-N 3.11Å; D447-S473 PolarHBondContact OD2-OG 3.13Å; Q471-S473 PolarHBondContact O-N 3.29Å; S473-K475 PolarHBondContact O-N 3.47Å; S473-L476 PolarHBondContact O-N 2.84Å
474	H	48.3	Very low	57.9	Low	173 Å²	173	91.3 Å²	91.3	80%	0.801	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14	164.6	-79.7	-84.7	0	0	0	111	R472 L476	R472-H474 VanDerWaalsContact C-N 3.34Å; R472-H474 PolarHBondContact O-N 3.19Å; H474-L476 PolarHBondContact O-N 2.8Å
475	K	47.4	Very low	54.6	Low	104 Å²	104	96.4 Å²	96.4	45%	0.452	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	18.6	162.4	-71.5	-172.4	-179.1	176.3	0	113.5	D358 E359 S473 R477	D358-K475 IonicContact OD2-NZ 2.62Å; E359-K475 HydrophobicContact CG-CD 4.49Å; S473-K475 PolarHBondContact O-N 3.47Å; K475-R477 PolarHBondContact O-N 2.86Å
476	L	42.2	Very low	51.3	Low	121 Å²	121	102.6 Å²	102.6	63%	0.634	48%	0.478	S	S	*	.	S	Bend	trans	-45.1	106	147.9	-87.7	165.5	0	0	0	104.6	S473 H474 S478	S473-L476 PolarHBondContact O-N 2.84Å; H474-L476 PolarHBondContact O-N 2.8Å; L476-S478 PolarHBondContact O-N 3.37Å
477	R	38.3	Very low	48.2	Very low	176 Å²	176	108 Å²	108	66%	0.664	51%	0.51	S	S	*	.			trans	-37.5	114.6	-177	-94.7	175.9	126	-169.6	1.1	105.5	K475 K479	K475-R477 PolarHBondContact O-N 2.86Å; R477-K479 PolarHBondContact O-N 3.4Å
478	S	35.1	Very low	45	Very low	83 Å²	83	117.1 Å²	117.1	58%	0.58	55%	0.552	S	S	*	*			trans	-47.6	145.9	160.2	76.4	0	0	0	0	103.7	L476 R480	L476-S478 PolarHBondContact O-N 3.37Å; S478-R480 WeakPolarHBondContact O-CA 3.34Å; S478-R480 PolarHBondContact O-N 3.02Å; S478-R480 PolarHBondContact OG-N 2.83Å
479	K	35.8	Very low	41.9	Very low	189 Å²	189	118.3 Å²	118.3	82%	0.822	57%	0.569	S	S	*	*			trans	-60.3	54.8	165.7	-63.8	173.3	177.2	175.3	0	110	R477 Q481	R477-K479 PolarHBondContact O-N 3.4Å; K479-Q481 HydrophobicContact CB-CG 4.48Å; K479-Q481 WeakPolarHBondContact O-CA 3.4Å; K479-Q481 WeakPolarHBondContact O-CB 3.13Å; K479-Q481 PolarHBondContact O-N 3.45Å
480	R	33.3	Very low	39	Very low	201 Å²	201	123.8 Å²	123.8	76%	0.758	60%	0.603	S	S	*	*				-50	69.7	119.1	-68.7	-171.2	179.6	-164	1.3	106.3	S478 Y482	S478-R480 WeakPolarHBondContact O-CA 3.34Å; S478-R480 PolarHBondContact O-N 3.02Å; S478-R480 PolarHBondContact OG-N 2.83Å; R480-Y482 PolarHBondContact O-N 3.11Å
481	Q	30.3	Very low	36.3	Very low	136 Å²	136	130.1 Å²	130.1	64%	0.636	64%	0.643	S	S	*	*				0.6	77.8	75.7	-73.2	-173.1	-15.7	0	0	108.2	K479 K483	K479-Q481 HydrophobicContact CB-CG 4.48Å; K479-Q481 WeakPolarHBondContact O-CA 3.4Å; K479-Q481 WeakPolarHBondContact O-CB 3.13Å; K479-Q481 PolarHBondContact O-N 3.45Å; Q481-K483 HydrophobicContact CB-CG 4.17Å; Q481-K483 PolarHBondContact O-N 2.9Å
482	Y	30.5	Very low	34.3	Very low	153 Å²	153	130.6 Å²	130.6	60%	0.6	66%	0.659	S	S	*	*			trans	-54.1	88.3	147.1	-157.1	-93	0	0	0	103.9	R480 Q484 W750	R480-Y482 PolarHBondContact O-N 3.11Å; Y482-Q484 PolarHBondContact O-N 3.21Å; Y482-W750 HydrophobicContact CE1-CH2 4.36Å; Y482-W750 HydrophobicContact CE1-CZ3 4.38Å
483	K	26.4	Very low	32.8	Very low	161 Å²	161	127.9 Å²	127.9	70%	0.7	65%	0.653	S	S	*	*			trans	-64.2	96	170	-79.1	-173.5	176.2	-176.4	0	101.1	Q481	Q481-K483 HydrophobicContact CB-CG 4.17Å; Q481-K483 PolarHBondContact O-N 2.9Å
484	Q	25	Very low	31.8	Very low	81 Å²	81	133 Å²	133	38%	0.379	69%	0.689	S	S	.	*			trans	-47.4	135.6	155.4	-81	-174.8	-23.1	0	0	106	Y482 V486	Y482-Q484 PolarHBondContact O-N 3.21Å; Q484-V486 PolarHBondContact O-N 3.07Å
485	P	25.1	Very low	30.9	Very low	110 Å²	110	128.5 Å²	128.5	71%	0.714	68%	0.677	S	S	*	*			trans	-48.8	117.8	173.2	0.3	-0.5	0	0	0	106.5	T487	P485-T487 PolarHBondContact O-N 3.23Å
486	V	24.5	Very low	30.2	Very low	130 Å²	130	130 Å²	130	79%	0.788	68%	0.684	S	S	*	*			trans	-69.6	84.8	177.8	179.9	0	0	0	0	105	Q484 E488	Q484-V486 PolarHBondContact O-N 3.07Å; V486-E488 PolarHBondContact O-N 3.41Å
487	T	28.3	Very low	29.9	Very low	118 Å²	118	131.2 Å²	131.2	72%	0.724	69%	0.691	S	S	*	*			trans	-74.1	116.1	155.7	50.5	0	0	0	0	105.1	P485 A489	P485-T487 PolarHBondContact O-N 3.23Å; T487-A489 VanDerWaalsContact C-N 3.35Å; T487-A489 PolarHBondContact O-N 2.92Å
488	E	26	Very low	30.3	Very low	195 Å²	195	128.8 Å²	128.8	91%	0.911	68%	0.682	S	S	*	*			trans	-53.3	91.2	177.3	-66.1	172	158.6	0	0	110.6	V486	V486-E488 PolarHBondContact O-N 3.41Å
489	A	28.4	Very low	31.2	Very low	67 Å²	67	127.1 Å²	127.1	55%	0.554	67%	0.668	S	S	*	*			trans	-150.9	103.4	173.2	0	0	0	0	0	110.1	T487	T487-A489 VanDerWaalsContact C-N 3.35Å; T487-A489 PolarHBondContact O-N 2.92Å
490	T	27.8	Very low	32.4	Very low	122 Å²	122	122.2 Å²	122.2	75%	0.748	65%	0.651	S	S	*	*			trans	51.3	129.7	147.2	61.1	0	0	0	0	120.4	A492	T490-A492 PolarHBondContact O-N 3.5Å
491	T	27	Very low	33.9	Very low	158 Å²	158	115.7 Å²	115.7	97%	0.969	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	29	-171	39.8	0	0	0	0	116.5
492	A	30.2	Very low	35.7	Very low	78 Å²	78	117.6 Å²	117.6	65%	0.645	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	-6.7	-175.7	0	0	0	0	0	115.7	T490	T490-A492 PolarHBondContact O-N 3.5Å
493	E	28.2	Very low	37.6	Very low	114 Å²	114	115.1 Å²	115.1	53%	0.533	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.7	12.2	-172.1	-68.8	-162.2	162	0	0	116.1	S495 K749	E493-S495 PolarHBondContact O-N 2.83Å; E493-K749 IonicContact OE1-NZ 3.24Å; E493-K749 PolarHBondContact OE1-NZ 3.43Å; E493-K749 IonicContact OE2-NZ 3.94Å; E493-K749 PolarHBondContact OE2-NZ 2.87Å
494	S	29	Very low	39.9	Very low	123 Å²	123	110.5 Å²	110.5	86%	0.86	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-5.5	-179	69.1	0	0	0	0	115.2
495	S	29.7	Very low	42.2	Very low	79 Å²	79	109.4 Å²	109.4	55%	0.552	61%	0.61	S	S	*	*			trans	-99	75.1	171.2	60.6	0	0	0	0	110.6	E493 N497	E493-S495 PolarHBondContact O-N 2.83Å; S495-N497 VanDerWaalsContact C-N 3.32Å; S495-N497 PolarHBondContact O-N 2.91Å
496	F	32.8	Very low	44.5	Very low	135 Å²	135	105.1 Å²	105.1	59%	0.592	58%	0.579	S	S	*	*			trans	-62.5	96.6	166.5	-92.9	-98.9	0	0	0	108.6	R498	F496-R498 PolarHBondContact O-N 2.8Å
497	N	35.4	Very low	46.9	Very low	147 Å²	147	101.8 Å²	101.8	79%	0.786	57%	0.566	S	S	*	*			trans	-62.2	95.7	-177.4	-77.1	-30.6	0	0	0	110.7	S495 V499	S495-N497 VanDerWaalsContact C-N 3.32Å; S495-N497 PolarHBondContact O-N 2.91Å; N497-V499 PolarHBondContact O-N 2.78Å
498	R	46.7	Very low	49.3	Very low	124 Å²	124	102.9 Å²	102.9	47%	0.468	56%	0.563	S	S	.	*			trans	-55.7	135.2	154.6	-80.6	-175	175	174	2.5	107.5	H440 F496 N500	H440-R498 PolarHBondContact O-NH1 3.12Å; F496-R498 PolarHBondContact O-N 2.8Å; R498-N500 PolarHBondContact O-N 3.37Å
499	V	54.8	Low	51.8	Low	48 Å²	48	100 Å²	100	29%	0.291	54%	0.544	S	S	.	.			trans	-57.9	110.1	171.6	175.5	0	0	0	0	107.9	N497 Y501 Y506	N497-V499 PolarHBondContact O-N 2.78Å; V499-Y501 VanDerWaalsContact C-N 3.32Å; V499-Y501 HydrophobicContact CB-CD2 4.18Å; V499-Y501 HydrophobicContact CB-CE2 3.76Å; V499-Y501 HydrophobicContact CG1-CD1 3.87Å; V499-Y501 HydrophobicContact CG1-CD2 3.83Å; V499-Y501 HydrophobicContact CG1-CE1 3.67Å; V499-Y501 HydrophobicContact CG1-CE2 3.64Å; V499-Y501 HydrophobicContact CG1-CG 3.96Å; V499-Y501 WeakPolarHBondContact O-CD2 3.47Å; V499-Y501 PolarHBondContact O-N 2.78Å; V499-Y506 HydrophobicContact CG1-CD2 4.35Å; V499-Y506 HydrophobicContact CG1-CE1 4.09Å; V499-Y506 HydrophobicContact CG1-CE2 3.44Å; V499-Y506 VanDerWaalsContact CG1-CE2 3.44Å; V499-Y506 WeakPolarHBondContact CG1-OH 3.25Å
500	N	60.8	Low	54.5	Low	86 Å²	86	105 Å²	105	46%	0.46	55%	0.549	S	S	.	.			trans	-75.7	91	171.1	-175.4	6.5	0	0	0	107.5	R498 Q502 H503	R498-N500 PolarHBondContact O-N 3.37Å; N500-Q502 PolarHBondContact O-N 2.57Å; N500-Q502 VanDerWaalsContact O-N 3.15Å; N500-Q502 WeakPolarHBondContact OD1-CA 3.34Å; N500-Q502 WeakPolarHBondContact OD1-CB 3.48Å; N500-Q502 PolarHBondContact OD1-N 2.66Å; N500-H503 HydrophobicContact CB-CB 4.3Å; N500-H503 WeakPolarHBondContact O-CA 3.4Å; N500-H503 WeakPolarHBondContact O-CB 3.45Å; N500-H503 PolarHBondContact O-N 3.39Å
501	Y	64.2	Low	57.2	Low	64 Å²	64	100.7 Å²	100.7	25%	0.251	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-10.6	174.8	-70.3	-77.8	0	0	0	113.1	V499 H503 Y506 L542 V545 P551	V499-Y501 VanDerWaalsContact C-N 3.32Å; V499-Y501 HydrophobicContact CB-CD2 4.18Å; V499-Y501 HydrophobicContact CB-CE2 3.76Å; V499-Y501 HydrophobicContact CG1-CD1 3.87Å; V499-Y501 HydrophobicContact CG1-CD2 3.83Å; V499-Y501 HydrophobicContact CG1-CE1 3.67Å; V499-Y501 HydrophobicContact CG1-CE2 3.64Å; V499-Y501 HydrophobicContact CG1-CG 3.96Å; V499-Y501 WeakPolarHBondContact O-CD2 3.47Å; V499-Y501 PolarHBondContact O-N 2.78Å; Y501-H503 VanDerWaalsContact C-N 3.26Å; Y501-Y506 AromaticContact CD1-CD1 3.86Å; Y501-Y506 HydrophobicContact CD1-CD1 3.86Å; Y501-Y506 HydrophobicContact CD1-CD2 4.38Å; Y501-Y506 HydrophobicContact CD1-CE1 4.11Å; Y501-Y506 HydrophobicContact CD1-CG 4.02Å; Y501-Y506 HydrophobicContact CE1-CD1 4.11Å; Y501-Y506 AromaticContact CE1-CE1 3.97Å; Y501-Y506 HydrophobicContact CE1-CE1 3.97Å; Y501-L542 HydrophobicContact CD1-CD1 4.02Å; Y501-L542 HydrophobicContact CG-CD1 4.37Å; Y501-V545 HydrophobicContact CE1-CB 4.34Å; Y501-V545 HydrophobicContact CE1-CG1 3.81Å; Y501-V545 HydrophobicContact CE1-CG2 4Å; Y501-P551 HydrophobicContact CD1-CB 3.99Å; Y501-P551 HydrophobicContact CD2-CB 3.25Å; Y501-P551 HydrophobicContact CD2-CG 4.21Å; Y501-P551 HydrophobicContact CE1-CB 3.89Å; Y501-P551 HydrophobicContact CE2-CB 3.12Å; Y501-P551 HydrophobicContact CE2-CG 4.45Å; Y501-P551 HydrophobicContact CG-CB 3.67Å; Y501-P551 HydrophobicContact CG-CG 4.33Å; Y501-P551 VanDerWaalsContact CZ-CB 3.44Å
502	Q	68.6	Low	59.8	Low	177 Å²	177	99.3 Å²	99.3	83%	0.827	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-8.6	167.7	-48.8	179.2	-29	0	0	112.3	N500	N500-Q502 PolarHBondContact O-N 2.57Å; N500-Q502 VanDerWaalsContact O-N 3.15Å; N500-Q502 WeakPolarHBondContact OD1-CA 3.34Å; N500-Q502 WeakPolarHBondContact OD1-CB 3.48Å; N500-Q502 PolarHBondContact OD1-N 2.66Å
503	H	71.7	Confident	62.5	Low	101 Å²	101	96 Å²	96	47%	0.468	48%	0.476	S	S	.	.	S	Bend	trans	-62.5	131.9	174.9	-172.8	-80.5	0	0	0	109.2	N500 Y501 F505 Y506	N500-H503 HydrophobicContact CB-CB 4.3Å; N500-H503 WeakPolarHBondContact O-CA 3.4Å; N500-H503 WeakPolarHBondContact O-CB 3.45Å; N500-H503 PolarHBondContact O-N 3.39Å; Y501-H503 VanDerWaalsContact C-N 3.26Å; H503-F505 WeakPolarHBondContact ND1-CB 3.5Å; H503-F505 PolarHBondContact ND1-N 3.34Å; H503-F505 VanDerWaalsContact ND1-N 3.11Å; H503-F505 PolarHBondContact O-N 2.93Å; H503-Y506 HydrophobicContact CB-CD2 4.35Å; H503-Y506 PolarHBondContact O-N 3.32Å
504	P	74.1	Confident	65.3	Low	63 Å²	63	92.6 Å²	92.6	41%	0.409	46%	0.461	S	S	.	.	H	α-helix	trans	-48.3	-36.8	-176.9	-31.5	35.8	0	0	0	113.7	Y506 A507 E508	P504-Y506 PolarHBondContact O-N 2.91Å; P504-A507 PolarHBondContact O-N 2.77Å; P504-E508 HydrophobicContact CB-CG 4.28Å; P504-E508 VanDerWaalsContact O-CB 3.31Å; P504-E508 WeakPolarHBondContact O-CB 3.37Å; P504-E508 WeakPolarHBondContact O-CG 3.48Å; P504-E508 PolarHBondContact O-N 3.16Å
505	F	73.5	Confident	68.3	Low	59 Å²	59	91.8 Å²	91.8	26%	0.259	45%	0.447	S	S	.	.	H	α-helix	trans	-42.5	-42.2	172.9	-178.1	-108.5	0	0	0	115.3	H503 Y509 R541	H503-F505 WeakPolarHBondContact ND1-CB 3.5Å; H503-F505 PolarHBondContact ND1-N 3.34Å; H503-F505 VanDerWaalsContact ND1-N 3.11Å; H503-F505 PolarHBondContact O-N 2.93Å; F505-Y509 HydrophobicContact CB-CD2 4.39Å; F505-Y509 HydrophobicContact CD2-CD1 4.37Å; F505-Y509 AromaticContact CD2-CD2 3.7Å; F505-Y509 HydrophobicContact CD2-CD2 3.7Å; F505-Y509 HydrophobicContact CD2-CE2 4.02Å; F505-Y509 AromaticContact CD2-CG 3.87Å; F505-Y509 HydrophobicContact CD2-CG 3.87Å; F505-Y509 HydrophobicContact CE2-CD1 4.38Å; F505-Y509 HydrophobicContact CE2-CD2 4.45Å; F505-Y509 HydrophobicContact CE2-CG 4.17Å; F505-Y509 HydrophobicContact CG-CD2 4.37Å; F505-Y509 VanDerWaalsContact O-CB 3.3Å; F505-Y509 WeakPolarHBondContact O-CB 3.11Å; F505-Y509 WeakPolarHBondContact O-CD2 3.35Å; F505-Y509 PolarHBondContact O-N 2.89Å; F505-R541 VanDerWaalsContact CE1-NE 3.27Å; F505-R541 VanDerWaalsContact CZ-CZ 3.45Å; F505-R541 VanDerWaalsContact CZ-NH1 3.32Å
506	Y	72.4	Confident	71.2	Confident	19 Å²	19	96.4 Å²	96.4	8%	0.075	45%	0.452	C	S	.	.	H	α-helix	trans	-78.9	-33.2	-177.4	-72.6	-81.5	0	0	0	113.2	V499 Y501 H503 P504 R541 L542 W746	V499-Y506 HydrophobicContact CG1-CD2 4.35Å; V499-Y506 HydrophobicContact CG1-CE1 4.09Å; V499-Y506 HydrophobicContact CG1-CE2 3.44Å; V499-Y506 VanDerWaalsContact CG1-CE2 3.44Å; V499-Y506 WeakPolarHBondContact CG1-OH 3.25Å; Y501-Y506 AromaticContact CD1-CD1 3.86Å; Y501-Y506 HydrophobicContact CD1-CD1 3.86Å; Y501-Y506 HydrophobicContact CD1-CD2 4.38Å; Y501-Y506 HydrophobicContact CD1-CE1 4.11Å; Y501-Y506 HydrophobicContact CD1-CG 4.02Å; Y501-Y506 HydrophobicContact CE1-CD1 4.11Å; Y501-Y506 AromaticContact CE1-CE1 3.97Å; Y501-Y506 HydrophobicContact CE1-CE1 3.97Å; H503-Y506 HydrophobicContact CB-CD2 4.35Å; H503-Y506 PolarHBondContact O-N 3.32Å; P504-Y506 PolarHBondContact O-N 2.91Å; Y506-R541 HydrophobicContact CD1-CB 4.02Å; Y506-R541 PolarHBondContact O-N 3.33Å; Y506-L542 WeakPolarHBondContact O-CB 3.49Å; Y506-L542 PolarHBondContact O-N 2.88Å; Y506-W746 AromaticContact CE1-CH2 3.86Å; Y506-W746 HydrophobicContact CE1-CH2 3.86Å; Y506-W746 HydrophobicContact CE1-CZ2 4.03Å; Y506-W746 AromaticContact CZ-CH2 3.87Å; Y506-W746 WeakPolarHBondContact OH-CH2 3.44Å; Y506-W746 VanDerWaalsContact OH-CZ2 3.23Å; Y506-W746 WeakPolarHBondContact OH-CZ2 3.35Å
507	A	76.6	Confident	73.9	Confident	60 Å²	60	90.2 Å²	90.2	50%	0.496	43%	0.425	S	S	.	.	H	α-helix	trans	-86.3	-36.3	-178.3	0	0	0	0	0	112.4	P504 S540	P504-A507 PolarHBondContact O-N 2.77Å; A507-S540 WeakPolarHBondContact O-CB 3.35Å
508	E	78.4	Confident	76.7	Confident	142 Å²	142	83.9 Å²	83.9	66%	0.664	39%	0.391	S	S	*	.	H	α-helix	trans	-93.7	-29.8	-171.4	-63.2	179.1	-180	0	0	113.3	P504	P504-E508 HydrophobicContact CB-CG 4.28Å; P504-E508 VanDerWaalsContact O-CB 3.31Å; P504-E508 WeakPolarHBondContact O-CB 3.37Å; P504-E508 WeakPolarHBondContact O-CG 3.48Å; P504-E508 PolarHBondContact O-N 3.16Å
509	Y	78.2	Confident	79.1	Confident	133 Å²	133	84.2 Å²	84.2	52%	0.522	40%	0.398	S	S	.	.	S	Bend	trans	-92.1	134.5	-178.6	-67.4	-108.7	0	0	0	111	F505 S540 R541	F505-Y509 HydrophobicContact CB-CD2 4.39Å; F505-Y509 HydrophobicContact CD2-CD1 4.37Å; F505-Y509 AromaticContact CD2-CD2 3.7Å; F505-Y509 HydrophobicContact CD2-CD2 3.7Å; F505-Y509 HydrophobicContact CD2-CE2 4.02Å; F505-Y509 AromaticContact CD2-CG 3.87Å; F505-Y509 HydrophobicContact CD2-CG 3.87Å; F505-Y509 HydrophobicContact CE2-CD1 4.38Å; F505-Y509 HydrophobicContact CE2-CD2 4.45Å; F505-Y509 HydrophobicContact CE2-CG 4.17Å; F505-Y509 HydrophobicContact CG-CD2 4.37Å; F505-Y509 VanDerWaalsContact O-CB 3.3Å; F505-Y509 WeakPolarHBondContact O-CB 3.11Å; F505-Y509 WeakPolarHBondContact O-CD2 3.35Å; F505-Y509 PolarHBondContact O-N 2.89Å; Y509-S540 WeakPolarHBondContact O-CA 3.33Å; Y509-R541 WeakPolarHBondContact O-CG 3.3Å; Y509-R541 PolarHBondContact O-N 2.93Å
510	R	84.5	Confident	81	Confident	173 Å²	173	85.8 Å²	85.8	65%	0.653	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-75.5	150.6	174.2	-69.9	179.3	-179.4	156	2.4	111.4	E537 L539	R510-E537 WeakPolarHBondContact CB-O 3.42Å; R510-E537 WeakPolarHBondContact CD-O 3.32Å; R510-L539 WeakPolarHBondContact CA-O 3.48Å
511	Y	84.2	Confident	82.6	Confident	32 Å²	32	81.7 Å²	81.7	13%	0.125	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-66.7	147.2	167.4	176.5	-96.4	0	0	0	110.2	F536 E537 L539 I544 L728 H729	Y511-F536 HydrophobicContact CD1-CB 3.87Å; Y511-F536 HydrophobicContact CE1-CB 4.04Å; Y511-E537 VanDerWaalsContact O-CA 3.29Å; Y511-E537 WeakPolarHBondContact O-CA 3.41Å; Y511-L539 PolarHBondContact N-O 2.97Å; Y511-I544 HydrophobicContact CD1-CD1 4.42Å; Y511-I544 HydrophobicContact CD1-CG1 4.39Å; Y511-I544 HydrophobicContact CD2-CB 4.49Å; Y511-I544 HydrophobicContact CD2-CG1 4.06Å; Y511-I544 HydrophobicContact CD2-CG2 4.17Å; Y511-I544 HydrophobicContact CE2-CG2 4.44Å; Y511-I544 HydrophobicContact CG-CD1 4.29Å; Y511-I544 HydrophobicContact CG-CG1 3.78Å; Y511-L728 HydrophobicContact CE2-CD1 4.02Å; Y511-H729 PolarHBondContact OH-CE1 3.42Å; Y511-H729 PolarHBondContact OH-NE2 3.24Å
512	I	81.5	Confident	84.2	Confident	129 Å²	129	81.7 Å²	81.7	66%	0.662	38%	0.383	S	S	*	.			trans	-133.9	131.2	178.5	-58.6	176.1	0	0	0	106.7	D514	I512-D514 PolarHBondContact O-N 3.02Å
513	N	87.6	Confident	85.5	Confident	7 Å²	7	79.8 Å²	79.8	4%	0.037	37%	0.374	C	S	.	.			trans	-66.1	128.3	175.3	-72.7	-88.4	0	0	0	110.1	L515 I518 A532 Y533 E537	N513-L515 HydrophobicContact CB-CD2 4.4Å; N513-L515 PolarHBondContact O-N 3.29Å; N513-L515 VanDerWaalsContact O-N 3.16Å; N513-I518 HydrophobicContact CB-CD1 4.3Å; N513-A532 HydrophobicContact CB-CB 3.89Å; N513-A532 WeakPolarHBondContact OD1-CA 3.2Å; N513-Y533 PolarHBondContact ND2-O 3.33Å; N513-Y533 VanDerWaalsContact ND2-O 3.08Å; N513-Y533 PolarHBondContact OD1-N 3.26Å; N513-E537 WeakPolarHBondContact CB-OE1 3.38Å; N513-E537 PolarHBondContact N-OE1 3.48Å; N513-E537 VanDerWaalsContact ND2-CG 3.3Å; N513-E537 WeakPolarHBondContact ND2-CG 3.39Å; N513-E537 PolarHBondContact ND2-OE1 3.21Å
514	D	86.8	Confident	86.6	Confident	44 Å²	44	78.4 Å²	78.4	24%	0.235	37%	0.373	C	S	.	.			trans	-85	86.6	175.6	-175.5	-11.1	0	0	0	109.1	I512 R516 F517 I518 K741	I512-D514 PolarHBondContact O-N 3.02Å; D514-R516 PolarHBondContact O-N 3Å; D514-F517 HydrophobicContact CB-CB 3.77Å; D514-F517 WeakPolarHBondContact O-CB 3.2Å; D514-F517 PolarHBondContact O-N 3.35Å; D514-F517 PolarHBondContact OD1-N 3.29Å; D514-F517 VanDerWaalsContact OD1-N 3.11Å; D514-F517 WeakPolarHBondContact OD2-CB 3.44Å; D514-I518 WeakPolarHBondContact O-CG1 3.22Å; D514-I518 PolarHBondContact O-N 2.88Å; D514-K741 IonicContact OD2-NZ 2.87Å; D514-K741 PolarHBondContact OD2-NZ 2.85Å
515	L	92.3	Very high	87.6	Confident	105 Å²	105	76.4 Å²	76.4	55%	0.55	36%	0.358	S	S	.	.	H	α-helix	trans	-57.3	-36.9	-175.5	-60.8	-177.7	0	0	0	112.6	N513 F517 I518 E519 A532	N513-L515 HydrophobicContact CB-CD2 4.4Å; N513-L515 PolarHBondContact O-N 3.29Å; N513-L515 VanDerWaalsContact O-N 3.16Å; L515-F517 VanDerWaalsContact C-N 3.34Å; L515-F517 PolarHBondContact O-N 3.07Å; L515-I518 HydrophobicContact CD2-CD1 4.3Å; L515-I518 PolarHBondContact O-N 2.87Å; L515-E519 WeakPolarHBondContact O-CG 3.18Å; L515-E519 PolarHBondContact O-N 2.76Å; L515-A532 HydrophobicContact CD2-CB 3.81Å
516	R	90.8	Very high	88.6	Confident	176 Å²	176	79 Å²	79	66%	0.664	38%	0.383	S	S	*	.	H	α-helix	trans	-65.4	-38.1	176.2	-175.6	-175.5	64	-136.6	-7.8	111.7	D514 K520	D514-R516 PolarHBondContact O-N 3Å; R516-K520 WeakPolarHBondContact O-CB 3.45Å; R516-K520 PolarHBondContact O-N 2.85Å
517	F	90	Very high	89.6	Confident	6 Å²	6	80.4 Å²	80.4	3%	0.026	39%	0.392	C	S	.	.	H	α-helix	trans	-66.4	-41.5	174.7	178.4	-124.1	0	0	0	111.8	D514 L515 K520 I521 D725 D726 H729 L740 K741	D514-F517 HydrophobicContact CB-CB 3.77Å; D514-F517 WeakPolarHBondContact O-CB 3.2Å; D514-F517 PolarHBondContact O-N 3.35Å; D514-F517 PolarHBondContact OD1-N 3.29Å; D514-F517 VanDerWaalsContact OD1-N 3.11Å; D514-F517 WeakPolarHBondContact OD2-CB 3.44Å; L515-F517 VanDerWaalsContact C-N 3.34Å; L515-F517 PolarHBondContact O-N 3.07Å; F517-K520 PolarHBondContact O-N 3.21Å; F517-I521 HydrophobicContact CD1-CD1 3.81Å; F517-I521 HydrophobicContact CD2-CD1 4.36Å; F517-I521 HydrophobicContact CD2-CG1 4.4Å; F517-I521 HydrophobicContact CE1-CD1 3.6Å; F517-I521 HydrophobicContact CE1-CG1 4.48Å; F517-I521 HydrophobicContact CE2-CD1 4.15Å; F517-I521 HydrophobicContact CE2-CG1 4.17Å; F517-I521 HydrophobicContact CG-CD1 4.21Å; F517-I521 HydrophobicContact CZ-CD1 3.78Å; F517-I521 HydrophobicContact CZ-CG1 4.23Å; F517-I521 WeakPolarHBondContact O-CG1 2.97Å; F517-I521 PolarHBondContact O-N 3.12Å; F517-D725 HydrophobicContact CE1-CB 4.39Å; F517-D726 HydrophobicContact CE1-CB 4.09Å; F517-D726 HydrophobicContact CZ-CB 3.85Å; F517-H729 AromaticContact CD1-CD2 3.86Å; F517-H729 AromaticContact CD1-NE2 3.89Å; F517-H729 AromaticContact CE1-CD2 3.95Å; F517-L740 HydrophobicContact CE2-CB 3.77Å; F517-L740 HydrophobicContact CE2-CD1 4.27Å; F517-K741 HydrophobicContact CD1-CD 4.21Å; F517-K741 HydrophobicContact CD2-CD 3.91Å; F517-K741 HydrophobicContact CD2-CG 4.05Å; F517-K741 HydrophobicContact CE1-CD 3.91Å; F517-K741 HydrophobicContact CE2-CB 4.26Å; F517-K741 HydrophobicContact CE2-CD 3.6Å; F517-K741 HydrophobicContact CE2-CG 3.57Å; F517-K741 HydrophobicContact CG-CD 4.19Å; F517-K741 HydrophobicContact CZ-CB 4.38Å; F517-K741 HydrophobicContact CZ-CD 3.59Å; F517-K741 HydrophobicContact CZ-CG 3.94Å
518	I	94.2	Very high	90.6	Very high	13 Å²	13	78 Å²	78	7%	0.067	37%	0.37	C	S	.	.	H	α-helix	trans	-61.5	-45.8	175.9	-65.2	166.9	0	0	0	110.9	N513 D514 L515 K520 I521 N522 A530 A532 H729	N513-I518 HydrophobicContact CB-CD1 4.3Å; D514-I518 WeakPolarHBondContact O-CG1 3.22Å; D514-I518 PolarHBondContact O-N 2.88Å; L515-I518 HydrophobicContact CD2-CD1 4.3Å; L515-I518 PolarHBondContact O-N 2.87Å; I518-K520 VanDerWaalsContact C-N 3.32Å; I518-K520 PolarHBondContact O-N 3.05Å; I518-I521 PolarHBondContact O-N 2.83Å; I518-N522 PolarHBondContact O-N 2.92Å; I518-N522 PolarHBondContact O-ND2 2.63Å; I518-A530 HydrophobicContact CG2-CB 3.91Å; I518-A532 HydrophobicContact CD1-CB 3.77Å; I518-H729 HydrophobicContact CG1-CB 4.18Å
519	E	96	Very high	91.6	Very high	132 Å²	132	77.6 Å²	77.6	62%	0.617	37%	0.366	S	S	*	.	H	α-helix	trans	-57.5	-46.1	173.2	-74.4	169.7	-172.9	0	0	111	L515 I521 N522 E523	L515-E519 WeakPolarHBondContact O-CG 3.18Å; L515-E519 PolarHBondContact O-N 2.76Å; E519-I521 PolarHBondContact O-N 3.29Å; E519-N522 PolarHBondContact O-N 2.92Å; E519-E523 PolarHBondContact O-N 3.02Å
520	K	94.8	Very high	92.5	Very high	80 Å²	80	71.4 Å²	71.4	35%	0.348	34%	0.343	S	S	.	.	H	α-helix	trans	-64.9	-38.9	-179.5	-167.7	54.3	169.4	177.8	0	113	R516 F517 I518 N522 E523 V524 L740	R516-K520 WeakPolarHBondContact O-CB 3.45Å; R516-K520 PolarHBondContact O-N 2.85Å; F517-K520 PolarHBondContact O-N 3.21Å; I518-K520 VanDerWaalsContact C-N 3.32Å; I518-K520 PolarHBondContact O-N 3.05Å; K520-N522 VanDerWaalsContact C-N 3.3Å; K520-N522 PolarHBondContact O-N 3.19Å; K520-E523 HydrophobicContact CD-CB 4.39Å; K520-E523 WeakPolarHBondContact CD-OE2 3.4Å; K520-E523 IonicContact NZ-OE1 3.61Å; K520-E523 PolarHBondContact NZ-OE1 2.94Å; K520-E523 IonicContact NZ-OE2 2.73Å; K520-E523 PolarHBondContact NZ-OE2 3.45Å; K520-E523 WeakPolarHBondContact O-CB 3.34Å; K520-E523 PolarHBondContact O-N 2.98Å; K520-V524 HydrophobicContact CD-CG1 3.98Å; K520-V524 HydrophobicContact CG-CG1 4.34Å; K520-V524 WeakPolarHBondContact O-CG1 3.25Å; K520-V524 WeakPolarHBondContact O-CG2 3.4Å; K520-V524 PolarHBondContact O-N 3.04Å; K520-V524 VanDerWaalsContact O-N 3.09Å; K520-L740 HydrophobicContact CB-CD1 4.33Å; K520-L740 HydrophobicContact CG-CD1 3.97Å; K520-L740 HydrophobicContact CG-CD2 4.09Å
521	I	94.6	Very high	93.1	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-57.8	-46	174.3	-71	160.5	0	0	0	110.6	F517 I518 E519 E523 Q525 W528 A530 D726 T738 L740	F517-I521 HydrophobicContact CD1-CD1 3.81Å; F517-I521 HydrophobicContact CD2-CD1 4.36Å; F517-I521 HydrophobicContact CD2-CG1 4.4Å; F517-I521 HydrophobicContact CE1-CD1 3.6Å; F517-I521 HydrophobicContact CE1-CG1 4.48Å; F517-I521 HydrophobicContact CE2-CD1 4.15Å; F517-I521 HydrophobicContact CE2-CG1 4.17Å; F517-I521 HydrophobicContact CG-CD1 4.21Å; F517-I521 HydrophobicContact CZ-CD1 3.78Å; F517-I521 HydrophobicContact CZ-CG1 4.23Å; F517-I521 WeakPolarHBondContact O-CG1 2.97Å; F517-I521 PolarHBondContact O-N 3.12Å; I518-I521 PolarHBondContact O-N 2.83Å; E519-I521 PolarHBondContact O-N 3.29Å; I521-E523 VanDerWaalsContact C-N 3.26Å; I521-E523 PolarHBondContact O-N 2.89Å; I521-Q525 PolarHBondContact O-N 2.87Å; I521-Q525 PolarHBondContact O-NE2 3.39Å; I521-W528 HydrophobicContact CD1-CH2 4.29Å; I521-W528 HydrophobicContact CG2-CH2 3.57Å; I521-W528 HydrophobicContact CG2-CZ2 3.63Å; I521-W528 HydrophobicContact CG2-CZ3 4.11Å; I521-A530 HydrophobicContact CB-CB 3.97Å; I521-A530 HydrophobicContact CD1-CB 4.17Å; I521-A530 HydrophobicContact CG2-CB 3.65Å; I521-D726 HydrophobicContact CD1-CB 3.63Å; I521-D726 HydrophobicContact CG1-CB 4.26Å; I521-T738 HydrophobicContact CG1-CG2 4.5Å; I521-T738 HydrophobicContact CG2-CG2 4.17Å; I521-L740 HydrophobicContact CB-CD1 4.39Å; I521-L740 HydrophobicContact CG1-CD1 3.77Å
522	N	97.8	Very high	93.7	Very high	65 Å²	65	65.2 Å²	65.2	35%	0.348	33%	0.33	S	S	.	.	H	α-helix	trans	-72.4	-18.6	-179.8	-69.1	-39.9	0	0	0	113.1	I518 E519 K520 A530	I518-N522 PolarHBondContact O-N 2.92Å; I518-N522 PolarHBondContact O-ND2 2.63Å; E519-N522 PolarHBondContact O-N 2.92Å; K520-N522 VanDerWaalsContact C-N 3.3Å; K520-N522 PolarHBondContact O-N 3.19Å; N522-A530 PolarHBondContact ND2-O 2.84Å; N522-A530 PolarHBondContact OD1-N 3.45Å
523	E	96.4	Very high	94.4	Very high	137 Å²	137	59.5 Å²	59.5	64%	0.64	30%	0.3	S	S	*	.	H	α-helix	trans	-80.8	-40.2	175.1	-168.7	-160	140	0	0	112.1	E519 K520 I521	E519-E523 PolarHBondContact O-N 3.02Å; K520-E523 HydrophobicContact CD-CB 4.39Å; K520-E523 WeakPolarHBondContact CD-OE2 3.4Å; K520-E523 IonicContact NZ-OE1 3.61Å; K520-E523 PolarHBondContact NZ-OE1 2.94Å; K520-E523 IonicContact NZ-OE2 2.73Å; K520-E523 PolarHBondContact NZ-OE2 3.45Å; K520-E523 WeakPolarHBondContact O-CB 3.34Å; K520-E523 PolarHBondContact O-N 2.98Å; I521-E523 VanDerWaalsContact C-N 3.26Å; I521-E523 PolarHBondContact O-N 2.89Å
524	V	94.8	Very high	94.7	Very high	71 Å²	71	62.7 Å²	62.7	43%	0.43	32%	0.321	S	S	.	.	H	α-helix	trans	-90.6	-17.3	-170.1	-58.3	0	0	0	0	114.9	K520 L740	K520-V524 HydrophobicContact CD-CG1 3.98Å; K520-V524 HydrophobicContact CG-CG1 4.34Å; K520-V524 WeakPolarHBondContact O-CG1 3.25Å; K520-V524 WeakPolarHBondContact O-CG2 3.4Å; K520-V524 PolarHBondContact O-N 3.04Å; K520-V524 VanDerWaalsContact O-N 3.09Å; V524-L740 HydrophobicContact CG1-CD2 4.13Å; V524-L740 HydrophobicContact CG2-CD1 3.71Å; V524-L740 HydrophobicContact CG2-CD2 4.07Å; V524-L740 HydrophobicContact CG2-CG 4.07Å
525	Q	94.2	Very high	95	Very high	22 Å²	22	64.8 Å²	64.8	10%	0.103	33%	0.33	C	S	.	.			trans	-144.9	158	176.9	70	71.6	49.8	0	0	111.4	I521 W528 H736 T738	I521-Q525 PolarHBondContact O-N 2.87Å; I521-Q525 PolarHBondContact O-NE2 3.39Å; Q525-W528 PolarHBondContact NE2-O 3.36Å; Q525-H736 PolarHBondContact OE1-CE1 2.9Å; Q525-T738 HydrophobicContact CG-CG2 3.95Å
526	S	93.9	Very high	94.9	Very high	112 Å²	112	60 Å²	60	78%	0.783	31%	0.305	S	S	*	.			trans	-124.6	0.8	-174.2	57.4	0	0	0	0	114.8
527	N	94.9	Very high	94.9	Very high	50 Å²	50	55 Å²	55	27%	0.267	29%	0.289	S	S	.	.	S	Bend	trans	-78.7	-26.1	-174.5	-66.4	-11.1	0	0	0	112.6	G733 I734 M773	N527-G733 CarbonylContact O-C 3.56Å; N527-G733 WeakPolarHBondContact O-CA 3.28Å; N527-I734 PolarHBondContact O-N 3.33Å; N527-M773 HydrophobicContact CB-CE 3.93Å; N527-M773 WeakPolarHBondContact OD1-CE 3.37Å
528	W	97.2	Very high	94.9	Very high	9 Å²	9	61.6 Å²	61.6	3%	0.034	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	161.9	175.3	64.4	-83.4	0	0	0	111.3	I521 Q525 A530 D726 Y730 G732 Y735 H736 T738	I521-W528 HydrophobicContact CD1-CH2 4.29Å; I521-W528 HydrophobicContact CG2-CH2 3.57Å; I521-W528 HydrophobicContact CG2-CZ2 3.63Å; I521-W528 HydrophobicContact CG2-CZ3 4.11Å; Q525-W528 PolarHBondContact NE2-O 3.36Å; W528-A530 HydrophobicContact CE3-CB 4.45Å; W528-A530 HydrophobicContact CH2-CB 4.19Å; W528-A530 HydrophobicContact CZ3-CB 3.7Å; W528-D726 HydrophobicContact CH2-CB 3.97Å; W528-D726 WeakPolarHBondContact CH2-O 3.28Å; W528-D726 HydrophobicContact CZ2-CB 4.13Å; W528-Y730 HydrophobicContact CB-CD2 4.18Å; W528-Y730 HydrophobicContact CB-CE2 4Å; W528-Y730 HydrophobicContact CD2-CD2 4.2Å; W528-Y730 AromaticContact CE3-CD2 3.78Å; W528-Y730 HydrophobicContact CE3-CD2 3.78Å; W528-Y730 HydrophobicContact CE3-CG 4.47Å; W528-Y730 HydrophobicContact CG-CD2 4.4Å; W528-Y730 HydrophobicContact CZ3-CD2 4.48Å; W528-G732 CarbonylContact C-O 3.13Å; W528-G732 WeakPolarHBondContact CA-O 3.33Å; W528-G732 WeakPolarHBondContact CB-O 3.44Å; W528-Y735 AromaticContact CD2-CD2 3.95Å; W528-Y735 HydrophobicContact CD2-CD2 3.95Å; W528-Y735 AromaticContact CE2-CD2 3.66Å; W528-Y735 AromaticContact CE2-CE2 3.98Å; W528-Y735 HydrophobicContact CE3-CD2 4.37Å; W528-Y735 HydrophobicContact CG-CD2 4.39Å; W528-Y735 HydrophobicContact CH2-CD2 4.25Å; W528-Y735 HydrophobicContact CH2-CE2 4.08Å; W528-Y735 AromaticContact CZ2-CD2 3.83Å; W528-Y735 HydrophobicContact CZ2-CD2 3.83Å; W528-Y735 AromaticContact CZ2-CE2 3.67Å; W528-Y735 HydrophobicContact CZ2-CE2 3.67Å; W528-Y735 AromaticContact NE1-CD2 3.94Å; W528-H736 AromaticContact CD1-CE1 3.95Å; W528-H736 AromaticContact CD1-ND1 3.74Å; W528-H736 AromaticContact NE1-ND1 3.93Å; W528-H736 PolarHBondContact NE1-O 2.87Å; W528-H736 VanDerWaalsContact NE1-O 3.09Å; W528-T738 HydrophobicContact CZ2-CG2 3.95Å
529	K	98.1	Very high	94.6	Very high	133 Å²	133	62.3 Å²	62.3	58%	0.578	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.2	179.8	-173.9	173.4	-177.9	175.8	0	110.8	K731 G732	K529-K731 VanDerWaalsContact O-CB 3.29Å; K529-K731 WeakPolarHBondContact O-CB 3.37Å; K529-K731 PolarHBondContact O-N 3.4Å; K529-G732 PolarHBondContact N-O 3.29Å
530	A	97.8	Very high	94.1	Very high	3 Å²	3	56.7 Å²	56.7	3%	0.025	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	143.1	170.4	0	0	0	0	0	111.5	I518 I521 N522 W528 H729	I518-A530 HydrophobicContact CG2-CB 3.91Å; I521-A530 HydrophobicContact CB-CB 3.97Å; I521-A530 HydrophobicContact CD1-CB 4.17Å; I521-A530 HydrophobicContact CG2-CB 3.65Å; N522-A530 PolarHBondContact ND2-O 2.84Å; N522-A530 PolarHBondContact OD1-N 3.45Å; W528-A530 HydrophobicContact CE3-CB 4.45Å; W528-A530 HydrophobicContact CH2-CB 4.19Å; W528-A530 HydrophobicContact CZ3-CB 3.7Å; A530-H729 CarbonylContact C-O 3.48Å; A530-H729 VanDerWaalsContact CA-O 3.23Å; A530-H729 WeakPolarHBondContact CA-O 3.3Å; A530-H729 HydrophobicContact CB-CB 3.97Å
531	T	98	Very high	93.5	Very high	47 Å²	47	56.3 Å²	56.3	29%	0.288	30%	0.295	S	S	.	.			trans	-142.7	159	173.1	-166	0	0	0	0	111.5	Y533 H729 K731	T531-Y533 HydrophobicContact CG2-CD2 4.2Å; T531-Y533 HydrophobicContact CG2-CE1 3.98Å; T531-Y533 HydrophobicContact CG2-CE2 3.62Å; T531-H729 PolarHBondContact N-O 3.42Å; T531-H729 WeakPolarHBondContact O-CA 3.19Å; T531-H729 WeakPolarHBondContact O-CB 3.05Å; T531-H729 PolarHBondContact O-ND1 2.69Å; T531-K731 HydrophobicContact CG2-CB 3.74Å; T531-K731 HydrophobicContact CG2-CD 3.95Å; T531-K731 HydrophobicContact CG2-CG 3.99Å
532	A	96.5	Very high	92.8	Very high	28 Å²	28	57.6 Å²	57.6	23%	0.231	30%	0.302	C	S	.	.			trans	-78.4	142	168.8	0	0	0	0	0	110.1	N513 L515 I518	N513-A532 HydrophobicContact CB-CB 3.89Å; N513-A532 WeakPolarHBondContact OD1-CA 3.2Å; L515-A532 HydrophobicContact CD2-CB 3.81Å; I518-A532 HydrophobicContact CD1-CB 3.77Å
533	Y	96	Very high	92.2	Very high	9 Å²	9	57 Å²	57	4%	0.035	30%	0.297	C	S	.	.			trans	-115.1	97	171.5	-70.5	-75.7	0	0	0	108.7	N513 T531 Q535 F536 L728 Y730 K731 H785 W786 G787	N513-Y533 PolarHBondContact ND2-O 3.33Å; N513-Y533 VanDerWaalsContact ND2-O 3.08Å; N513-Y533 PolarHBondContact OD1-N 3.26Å; T531-Y533 HydrophobicContact CG2-CD2 4.2Å; T531-Y533 HydrophobicContact CG2-CE1 3.98Å; T531-Y533 HydrophobicContact CG2-CE2 3.62Å; Y533-Q535 PolarHBondContact O-N 3.07Å; Y533-Q535 VanDerWaalsContact O-N 3.11Å; Y533-F536 HydrophobicContact CD2-CD2 4.47Å; Y533-F536 HydrophobicContact CD2-CE2 4Å; Y533-F536 HydrophobicContact CG-CD2 4.47Å; Y533-F536 HydrophobicContact CG-CE2 4.18Å; Y533-F536 HydrophobicContact CG-CZ 4.43Å; Y533-F536 WeakPolarHBondContact O-CB 3.4Å; Y533-F536 PolarHBondContact O-N 3.48Å; Y533-L728 WeakPolarHBondContact CD2-O 3.45Å; Y533-Y730 WeakPolarHBondContact CE2-O 3.05Å; Y533-Y730 PolarHBondContact OH-O 3.28Å; Y533-K731 WeakPolarHBondContact OH-CD 3.36Å; Y533-H785 WeakPolarHBondContact CE1-O 3.38Å; Y533-W786 AromaticContact CD2-CD1 3.68Å; Y533-W786 HydrophobicContact CE1-CB 4.3Å; Y533-W786 HydrophobicContact CE1-CG 4.45Å; Y533-W786 AromaticContact CE2-CD1 3.3Å; Y533-W786 HydrophobicContact CE2-CG 4.28Å; Y533-W786 AromaticContact CE2-NE1 3.62Å; Y533-W786 AromaticContact CZ-CD1 3.51Å; Y533-G787 PolarHBondContact OH-N 2.69Å
534	P	94.6	Very high	91.6	Very high	74 Å²	74	50.8 Å²	50.8	48%	0.481	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-57	-28.2	-178.1	-27.1	35.5	0	0	0	113.4	F536 E537	P534-F536 PolarHBondContact O-N 2.94Å; P534-E537 WeakPolarHBondContact O-CB 3.35Å; P534-E537 PolarHBondContact O-N 2.73Å
535	Q	92	Very high	90.9	Very high	88 Å²	88	48.7 Å²	48.7	41%	0.411	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-62.2	-27.5	179	-55.3	79.9	6.9	0	0	112.3	Y533 E537 H538	Y533-Q535 PolarHBondContact O-N 3.07Å; Y533-Q535 VanDerWaalsContact O-N 3.11Å; Q535-E537 VanDerWaalsContact C-N 3.25Å; Q535-E537 PolarHBondContact O-N 3.09Å; Q535-H538 PolarHBondContact O-CD2 3.47Å; Q535-H538 PolarHBondContact O-N 2.71Å
536	F	90.5	Very high	90.4	Very high	4 Å²	4	51 Å²	51	2%	0.018	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-72.5	-20.2	177.1	-67.1	-5.4	0	0	0	112.4	Y511 Y533 P534 H538 L539 I544 K547 L728 W782 W786	Y511-F536 HydrophobicContact CD1-CB 3.87Å; Y511-F536 HydrophobicContact CE1-CB 4.04Å; Y533-F536 HydrophobicContact CD2-CD2 4.47Å; Y533-F536 HydrophobicContact CD2-CE2 4Å; Y533-F536 HydrophobicContact CG-CD2 4.47Å; Y533-F536 HydrophobicContact CG-CE2 4.18Å; Y533-F536 HydrophobicContact CG-CZ 4.43Å; Y533-F536 WeakPolarHBondContact O-CB 3.4Å; Y533-F536 PolarHBondContact O-N 3.48Å; P534-F536 PolarHBondContact O-N 2.94Å; F536-H538 PolarHBondContact O-N 2.81Å; F536-L539 WeakPolarHBondContact O-CB 3.1Å; F536-L539 PolarHBondContact O-N 3.17Å; F536-L539 VanDerWaalsContact O-N 3.12Å; F536-I544 HydrophobicContact CB-CD1 3.93Å; F536-I544 HydrophobicContact CG-CD1 4.18Å; F536-K547 HydrophobicContact CE1-CD 4.46Å; F536-L728 HydrophobicContact CE2-CD2 4.49Å; F536-W782 HydrophobicContact CZ-CE3 4.18Å; F536-W786 AromaticContact CE2-CD1 3.92Å; F536-W786 AromaticContact CZ-CD1 3.55Å; F536-W786 HydrophobicContact CZ-CG 4.32Å
537	E	90.8	Very high	90	Very high	72 Å²	72	45.9 Å²	45.9	34%	0.336	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-74.8	-9.1	177.8	-53.4	-173.4	164.9	0	0	112.9	R510 Y511 N513 P534 Q535 L539	R510-E537 WeakPolarHBondContact CB-O 3.42Å; R510-E537 WeakPolarHBondContact CD-O 3.32Å; Y511-E537 VanDerWaalsContact O-CA 3.29Å; Y511-E537 WeakPolarHBondContact O-CA 3.41Å; N513-E537 WeakPolarHBondContact CB-OE1 3.38Å; N513-E537 PolarHBondContact N-OE1 3.48Å; N513-E537 VanDerWaalsContact ND2-CG 3.3Å; N513-E537 WeakPolarHBondContact ND2-CG 3.39Å; N513-E537 PolarHBondContact ND2-OE1 3.21Å; P534-E537 WeakPolarHBondContact O-CB 3.35Å; P534-E537 PolarHBondContact O-N 2.73Å; Q535-E537 VanDerWaalsContact C-N 3.25Å; Q535-E537 PolarHBondContact O-N 3.09Å; E537-L539 VanDerWaalsContact C-N 3.3Å
538	H	90.6	Very high	89.3	Confident	144 Å²	144	44.9 Å²	44.9	67%	0.667	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-79.1	-15.1	169.7	-57.1	-44	0	0	0	113	Q535 F536	Q535-H538 PolarHBondContact O-CD2 3.47Å; Q535-H538 PolarHBondContact O-N 2.71Å; F536-H538 PolarHBondContact O-N 2.81Å
539	L	87.8	Confident	88.2	Confident	28 Å²	28	45.1 Å²	45.1	15%	0.147	23%	0.226	C	C	.	.	S	Bend	trans	-91.6	142	-178.6	-60.1	176.3	0	0	0	110.6	R510 Y511 F536 E537 E543 I544 K547 Q598	R510-L539 WeakPolarHBondContact CA-O 3.48Å; Y511-L539 PolarHBondContact N-O 2.97Å; F536-L539 WeakPolarHBondContact O-CB 3.1Å; F536-L539 PolarHBondContact O-N 3.17Å; F536-L539 VanDerWaalsContact O-N 3.12Å; E537-L539 VanDerWaalsContact C-N 3.3Å; L539-E543 HydrophobicContact CB-CB 4.07Å; L539-E543 HydrophobicContact CD2-CB 4.24Å; L539-I544 HydrophobicContact CB-CD1 3.98Å; L539-I544 HydrophobicContact CB-CG1 3.92Å; L539-I544 HydrophobicContact CD1-CD1 3.56Å; L539-I544 HydrophobicContact CD1-CG1 4.32Å; L539-I544 HydrophobicContact CG-CD1 4.36Å; L539-K547 HydrophobicContact CD1-CD 3.96Å; L539-Q598 HydrophobicContact CD2-CB 4.03Å
540	S	85.6	Confident	86.7	Confident	14 Å²	14	39.4 Å²	39.4	10%	0.098	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-64.5	160.1	164.3	65.8	0	0	0	0	110.7	A507 Y509 L542 E543 I544	A507-S540 WeakPolarHBondContact O-CB 3.35Å; Y509-S540 WeakPolarHBondContact O-CA 3.33Å; S540-L542 PolarHBondContact O-N 3.43Å; S540-E543 WeakPolarHBondContact CB-OE2 3.45Å; S540-E543 PolarHBondContact N-OE2 2.75Å; S540-E543 PolarHBondContact O-N 3.39Å; S540-E543 VanDerWaalsContact O-N 3.11Å; S540-E543 WeakPolarHBondContact OG-CB 3.39Å; S540-E543 VanDerWaalsContact OG-CD 3.24Å; S540-E543 WeakPolarHBondContact OG-CG 3.38Å; S540-E543 PolarHBondContact OG-N 2.91Å; S540-E543 PolarHBondContact OG-OE2 3.3Å; S540-I544 PolarHBondContact O-N 3.27Å
541	R	81.1	Confident	84.8	Confident	72 Å²	72	40.8 Å²	40.8	27%	0.272	21%	0.214	S	C	.	.	H	α-helix	trans	-60.3	-35.3	176.6	-63.1	178.1	76.8	114.4	3.5	112	F505 Y506 Y509 I544 V545 W746	F505-R541 VanDerWaalsContact CE1-NE 3.27Å; F505-R541 VanDerWaalsContact CZ-CZ 3.45Å; F505-R541 VanDerWaalsContact CZ-NH1 3.32Å; Y506-R541 HydrophobicContact CD1-CB 4.02Å; Y506-R541 PolarHBondContact O-N 3.33Å; Y509-R541 WeakPolarHBondContact O-CG 3.3Å; Y509-R541 PolarHBondContact O-N 2.93Å; R541-I544 PolarHBondContact O-N 3.1Å; R541-V545 WeakPolarHBondContact O-CG2 3.25Å; R541-V545 PolarHBondContact O-N 3.5Å; R541-W746 VanDerWaalsContact NH2-NE1 3.17Å
542	L	80	Confident	82.7	Confident	28 Å²	28	43.5 Å²	43.5	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-40.4	175.3	-177.2	57.4	0	0	0	111.8	Y501 Y506 S540 V545 R546	Y501-L542 HydrophobicContact CD1-CD1 4.02Å; Y501-L542 HydrophobicContact CG-CD1 4.37Å; Y506-L542 WeakPolarHBondContact O-CB 3.49Å; Y506-L542 PolarHBondContact O-N 2.88Å; S540-L542 PolarHBondContact O-N 3.43Å; L542-V545 PolarHBondContact O-N 3.42Å; L542-R546 WeakPolarHBondContact O-CG 3.49Å; L542-R546 PolarHBondContact O-N 2.83Å
543	E	85.1	Confident	80.6	Confident	52 Å²	52	43.8 Å²	43.8	24%	0.243	22%	0.222	C	C	.	.	H	α-helix	trans	-68.7	-37.4	178.2	-70.1	168.9	132.9	0	0	112	L539 S540 R546 K547 Q598	L539-E543 HydrophobicContact CB-CB 4.07Å; L539-E543 HydrophobicContact CD2-CB 4.24Å; S540-E543 WeakPolarHBondContact CB-OE2 3.45Å; S540-E543 PolarHBondContact N-OE2 2.75Å; S540-E543 PolarHBondContact O-N 3.39Å; S540-E543 VanDerWaalsContact O-N 3.11Å; S540-E543 WeakPolarHBondContact OG-CB 3.39Å; S540-E543 VanDerWaalsContact OG-CD 3.24Å; S540-E543 WeakPolarHBondContact OG-CG 3.38Å; S540-E543 PolarHBondContact OG-N 2.91Å; S540-E543 PolarHBondContact OG-OE2 3.3Å; E543-R546 PolarHBondContact O-N 3.32Å; E543-K547 VanDerWaalsContact O-CB 3.28Å; E543-K547 WeakPolarHBondContact O-CB 3.21Å; E543-K547 PolarHBondContact O-N 3.28Å; E543-Q598 HydrophobicContact CB-CB 3.89Å; E543-Q598 HydrophobicContact CG-CB 3.75Å; E543-Q598 HydrophobicContact CG-CG 4.43Å
544	I	84.7	Confident	78.4	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-44.5	170.1	-70.5	-66.8	0	0	0	111	Y511 F536 L539 S540 R541 R546 K547 M548 L728	Y511-I544 HydrophobicContact CD1-CD1 4.42Å; Y511-I544 HydrophobicContact CD1-CG1 4.39Å; Y511-I544 HydrophobicContact CD2-CB 4.49Å; Y511-I544 HydrophobicContact CD2-CG1 4.06Å; Y511-I544 HydrophobicContact CD2-CG2 4.17Å; Y511-I544 HydrophobicContact CE2-CG2 4.44Å; Y511-I544 HydrophobicContact CG-CD1 4.29Å; Y511-I544 HydrophobicContact CG-CG1 3.78Å; F536-I544 HydrophobicContact CB-CD1 3.93Å; F536-I544 HydrophobicContact CG-CD1 4.18Å; L539-I544 HydrophobicContact CB-CD1 3.98Å; L539-I544 HydrophobicContact CB-CG1 3.92Å; L539-I544 HydrophobicContact CD1-CD1 3.56Å; L539-I544 HydrophobicContact CD1-CG1 4.32Å; L539-I544 HydrophobicContact CG-CD1 4.36Å; S540-I544 PolarHBondContact O-N 3.27Å; R541-I544 PolarHBondContact O-N 3.1Å; I544-R546 VanDerWaalsContact C-N 3.31Å; I544-R546 PolarHBondContact O-N 2.81Å; I544-K547 HydrophobicContact CD1-CD 4.48Å; I544-K547 WeakPolarHBondContact O-CB 3.46Å; I544-K547 PolarHBondContact O-N 2.92Å; I544-K547 VanDerWaalsContact O-N 3.15Å; I544-M548 HydrophobicContact CG2-CG 4.33Å; I544-M548 HydrophobicContact CG2-SD 3.69Å; I544-M548 VanDerWaalsContact O-CG 3.22Å; I544-M548 WeakPolarHBondContact O-CG 3.25Å; I544-M548 PolarHBondContact O-N 3Å; I544-L728 HydrophobicContact CG2-CD1 4.08Å; I544-L728 HydrophobicContact CG2-CD2 4.35Å
545	V	80.4	Confident	76.1	Confident	27 Å²	27	44.6 Å²	44.6	16%	0.164	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-41.9	176.9	169.7	0	0	0	0	111.2	Y501 R541 L542 M548 G549 G550 P551	Y501-V545 HydrophobicContact CE1-CB 4.34Å; Y501-V545 HydrophobicContact CE1-CG1 3.81Å; Y501-V545 HydrophobicContact CE1-CG2 4Å; R541-V545 WeakPolarHBondContact O-CG2 3.25Å; R541-V545 PolarHBondContact O-N 3.5Å; L542-V545 PolarHBondContact O-N 3.42Å; V545-M548 PolarHBondContact O-N 3.46Å; V545-G549 PolarHBondContact O-N 2.74Å; V545-G550 WeakPolarHBondContact O-CA 3.24Å; V545-G550 PolarHBondContact O-N 3.35Å; V545-P551 HydrophobicContact CG1-CB 3.95Å; V545-P551 HydrophobicContact CG1-CG 4.47Å
546	R	82.2	Confident	74	Confident	71 Å²	71	45.8 Å²	45.8	27%	0.268	22%	0.217	S	C	.	.	H	α-helix	trans	-63.3	-44.2	173.2	-78.1	175.2	165.3	161.6	-3.9	112.4	L542 E543 I544 M548 G549 Q598 G600 D643	L542-R546 WeakPolarHBondContact O-CG 3.49Å; L542-R546 PolarHBondContact O-N 2.83Å; E543-R546 PolarHBondContact O-N 3.32Å; I544-R546 VanDerWaalsContact C-N 3.31Å; I544-R546 PolarHBondContact O-N 2.81Å; R546-M548 PolarHBondContact O-N 2.85Å; R546-G549 PolarHBondContact O-N 2.87Å; R546-Q598 WeakPolarHBondContact CB-O 3.27Å; R546-G600 WeakPolarHBondContact O-CA 3.42Å; R546-D643 IonicContact CZ-OD1 3.77Å; R546-D643 IonicContact NE-OD1 3.44Å; R546-D643 IonicContact NH2-OD1 3.49Å; R546-D643 PolarHBondContact NH2-OD1 3.47Å
547	K	85.2	Confident	72.2	Confident	5 Å²	5	49.7 Å²	49.7	2%	0.022	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-33.4	176.9	-176.2	175.7	-177.6	59.7	0	112.6	F536 L539 E543 I544 G549 W782	F536-K547 HydrophobicContact CE1-CD 4.46Å; L539-K547 HydrophobicContact CD1-CD 3.96Å; E543-K547 VanDerWaalsContact O-CB 3.28Å; E543-K547 WeakPolarHBondContact O-CB 3.21Å; E543-K547 PolarHBondContact O-N 3.28Å; I544-K547 HydrophobicContact CD1-CD 4.48Å; I544-K547 WeakPolarHBondContact O-CB 3.46Å; I544-K547 PolarHBondContact O-N 2.92Å; I544-K547 VanDerWaalsContact O-N 3.15Å; K547-G549 VanDerWaalsContact C-N 3.3Å; K547-W782 HydrophobicContact CG-CD2 4.36Å; K547-W782 HydrophobicContact CG-CG 4.45Å; K547-W782 HydrophobicContact CG-CZ2 4.32Å; K547-W782 WeakPolarHBondContact O-CZ2 3.47Å; K547-W782 PolarHBondContact O-NE1 3.37Å; K547-W782 VanDerWaalsContact O-NE1 3.13Å
548	M	81.9	Confident	70.8	Confident	28 Å²	28	50.1 Å²	50.1	14%	0.138	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-3.4	174.9	-65.1	167.3	75	0	0	114	I544 V545 R546 V723 L728 N757	I544-M548 HydrophobicContact CG2-CG 4.33Å; I544-M548 HydrophobicContact CG2-SD 3.69Å; I544-M548 VanDerWaalsContact O-CG 3.22Å; I544-M548 WeakPolarHBondContact O-CG 3.25Å; I544-M548 PolarHBondContact O-N 3Å; V545-M548 PolarHBondContact O-N 3.46Å; R546-M548 PolarHBondContact O-N 2.85Å; M548-V723 HydrophobicContact CB-CB 4.23Å; M548-V723 HydrophobicContact CB-CG1 3.86Å; M548-V723 HydrophobicContact CE-CG1 3.74Å; M548-V723 WeakPolarHBondContact CE-O 3.42Å; M548-V723 HydrophobicContact CG-CG1 3.74Å; M548-L728 HydrophobicContact CE-CD1 4.26Å; M548-L728 HydrophobicContact CE-CG 4.32Å; M548-L728 HydrophobicContact CG-CD2 3.71Å; M548-L728 HydrophobicContact CG-CG 4.43Å; M548-L728 HydrophobicContact SD-CD1 3.87Å; M548-L728 HydrophobicContact SD-CD2 3.96Å; M548-L728 HydrophobicContact SD-CG 4.15Å; M548-N757 VanDerWaalsContact O-CG 3.25Å; M548-N757 PolarHBondContact O-ND2 3.01Å; M548-N757 PolarHBondContact O-OD1 2.77Å
549	G	73	Confident	69.5	Low	15 Å²	15	44.8 Å²	44.8	16%	0.155	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	124.7	-13.6	-180	0	0	0	0	0	116.6	V545 R546 K547 N757	V545-G549 PolarHBondContact O-N 2.74Å; R546-G549 PolarHBondContact O-N 2.87Å; K547-G549 VanDerWaalsContact C-N 3.3Å; G549-N757 CarbonylContact C-O 3.59Å; G549-N757 WeakPolarHBondContact CA-O 3.35Å
550	G	67.8	Low	68.9	Low	12 Å²	12	51 Å²	51	12%	0.124	25%	0.248	C	C	.	.			trans	102.4	162.5	172.3	0	0	0	0	0	115.5	V545	V545-G550 WeakPolarHBondContact O-CA 3.24Å; V545-G550 PolarHBondContact O-N 3.35Å
551	P	57.2	Low	68.6	Low	33 Å²	33	51.4 Å²	51.4	21%	0.214	25%	0.25	C	S	.	.	S	Bend	trans	-83.8	-16.2	-172.5	29.4	-32.8	0	0	0	115.2	Y501 V545	Y501-P551 HydrophobicContact CD1-CB 3.99Å; Y501-P551 HydrophobicContact CD2-CB 3.25Å; Y501-P551 HydrophobicContact CD2-CG 4.21Å; Y501-P551 HydrophobicContact CE1-CB 3.89Å; Y501-P551 HydrophobicContact CE2-CB 3.12Å; Y501-P551 HydrophobicContact CE2-CG 4.45Å; Y501-P551 HydrophobicContact CG-CB 3.67Å; Y501-P551 HydrophobicContact CG-CG 4.33Å; Y501-P551 VanDerWaalsContact CZ-CB 3.44Å; V545-P551 HydrophobicContact CG1-CB 3.95Å; V545-P551 HydrophobicContact CG1-CG 4.47Å
552	K	53.6	Low	68.6	Low	103 Å²	103	48.8 Å²	48.8	45%	0.448	24%	0.244	S	C	.	.			trans	-90.1	-0.9	-160.8	-81.9	179.5	178.4	168.3	0	115.1	D350 R554 D643	D350-K552 HydrophobicContact CB-CB 4.15Å; D350-K552 WeakPolarHBondContact CB-O 3.49Å; D350-K552 VanDerWaalsContact CG-O 3.24Å; K552-R554 WeakPolarHBondContact O-CG 3.06Å; K552-R554 PolarHBondContact O-N 2.89Å; K552-D643 IonicContact NZ-OD2 2.89Å; K552-D643 PolarHBondContact NZ-OD2 2.87Å
553	S	51.7	Low	68.2	Low	34 Å²	34	49 Å²	49	24%	0.238	25%	0.246	C	C	.	.			trans	-66.3	118.9	-175.3	-159.6	0	0	0	0	112.3	D350 I755	D350-S553 WeakPolarHBondContact OD2-CA 2.96Å; D350-S553 PolarHBondContact OD2-N 2.73Å; D350-S553 VanDerWaalsContact OD2-N 3.09Å; S553-I755 WeakPolarHBondContact O-CD1 3.37Å; S553-I755 WeakPolarHBondContact OG-CB 3.48Å; S553-I755 VanDerWaalsContact OG-CD1 3.3Å; S553-I755 WeakPolarHBondContact OG-CD1 2.9Å; S553-I755 WeakPolarHBondContact OG-CG1 3.44Å; S553-I755 WeakPolarHBondContact OG-CG2 3.4Å
554	R	49.6	Very low	67.8	Low	87 Å²	87	48.8 Å²	48.8	33%	0.328	25%	0.248	S	C	.	.			trans	-115.5	18.6	-168.5	-81.8	176.1	-176.5	-169.7	6.6	114.7	N354 K552	N354-R554 PolarHBondContact ND2-O 3.19Å; K552-R554 WeakPolarHBondContact O-CG 3.06Å; K552-R554 PolarHBondContact O-N 2.89Å
555	I	47.6	Very low	67.3	Low	13 Å²	13	50.9 Å²	50.9	7%	0.067	26%	0.264	C	S	.	.			trans	-81.3	132.9	-173.7	-43.8	-177.9	0	0	0	110.9	V415 S557 I755	V415-I555 HydrophobicContact CG1-CD1 3.39Å; I555-S557 WeakPolarHBondContact CG2-O 3.48Å; I555-I755 HydrophobicContact CB-CD1 4.35Å; I555-I755 HydrophobicContact CB-CG1 3.46Å; I555-I755 VanDerWaalsContact CB-CG1 3.46Å; I555-I755 HydrophobicContact CB-CG2 4.46Å; I555-I755 HydrophobicContact CD1-CB 4.5Å; I555-I755 HydrophobicContact CD1-CG1 4.18Å; I555-I755 HydrophobicContact CD1-CG2 3.54Å; I555-I755 HydrophobicContact CG1-CG1 3.76Å; I555-I755 HydrophobicContact CG1-CG2 4.05Å
556	Y	48.4	Very low	67.1	Low	113 Å²	113	56.6 Å²	56.6	44%	0.443	29%	0.289	S	S	.	.	S	Bend	trans	-89.4	1.9	-179.5	-59.7	-66.8	0	0	0	113.9	N354 Y753	N354-Y556 WeakPolarHBondContact ND2-CD2 3.17Å; N354-Y556 WeakPolarHBondContact ND2-CE2 3.48Å; Y556-Y753 VanDerWaalsContact C-CD1 3.48Å; Y556-Y753 AromaticContact CD1-CD2 3.89Å; Y556-Y753 HydrophobicContact CD1-CD2 3.89Å; Y556-Y753 HydrophobicContact CD1-CE2 4.21Å; Y556-Y753 HydrophobicContact CD1-CG 4.25Å; Y556-Y753 WeakPolarHBondContact O-CD1 3.5Å; Y556-Y753 VanDerWaalsContact O-CE1 3.26Å; Y556-Y753 WeakPolarHBondContact O-CE1 3.36Å
557	S	52.8	Low	66.9	Low	87 Å²	87	62.4 Å²	62.4	61%	0.608	31%	0.311	S	S	*	.			trans	-169.9	130.5	178.8	-171.4	0	0	0	0	110.7	I555	I555-S557 WeakPolarHBondContact CG2-O 3.48Å
558	R	60.1	Low	66.8	Low	80 Å²	80	63.2 Å²	63.2	30%	0.302	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-76.6	133	169	-168.2	-178.4	79	-154.9	6.4	109.2	K560 D799 S805	R558-K560 PolarHBondContact O-N 3.47Å; R558-D799 IonicContact CZ-OD2 3.94Å; R558-D799 VanDerWaalsContact CZ-OD2 3.32Å; R558-D799 IonicContact NE-OD2 3.28Å; R558-D799 PolarHBondContact NE-OD2 2.87Å; R558-D799 VanDerWaalsContact NH2-CG 3.32Å; R558-D799 PolarHBondContact NH2-O 3.41Å; R558-D799 IonicContact NH2-OD1 3.42Å; R558-D799 IonicContact NH2-OD2 2.74Å; R558-D799 PolarHBondContact NH2-OD2 3.44Å; R558-S805 WeakPolarHBondContact CD-OG 3.46Å; R558-S805 PolarHBondContact NE-OG 3.1Å
559	P	63.3	Low	66.9	Low	32 Å²	32	67.8 Å²	67.8	21%	0.208	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-60.1	136.9	165.2	28.3	-34.1	0	0	0	108.5	Y699 S805	P559-Y699 VanDerWaalsContact CD-OH 3.31Å; P559-Y699 WeakPolarHBondContact CD-OH 3.26Å; P559-Y699 HydrophobicContact CG-CE1 3.99Å; P559-Y699 HydrophobicContact CG-CE2 4.21Å; P559-Y699 WeakPolarHBondContact CG-OH 3.44Å; P559-S805 WeakPolarHBondContact O-CB 3.44Å; P559-S805 PolarHBondContact O-OG 3.4Å
560	K	75.3	Confident	67.4	Low	159 Å²	159	70 Å²	70	69%	0.691	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-76.4	155.3	168.2	-66.8	-176.9	179.6	-179.3	0	108.5	R558	R558-K560 PolarHBondContact O-N 3.47Å
561	P	79.8	Confident	68.4	Low	22 Å²	22	72.9 Å²	72.9	14%	0.143	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-56.2	145.6	171.4	-16.9	29.9	0	0	0	108.7	C702 N703 D799 E804	P561-C702 CarbonylContact C-O 3.52Å; P561-C702 WeakPolarHBondContact CA-O 3.47Å; P561-C702 WeakPolarHBondContact CB-O 3.24Å; P561-N703 HydrophobicContact CB-CB 4.3Å; P561-D799 WeakPolarHBondContact CD-OD2 3.46Å; P561-D799 HydrophobicContact CG-CB 3.58Å; P561-D799 WeakPolarHBondContact CG-OD2 3.09Å; P561-E804 HydrophobicContact CG-CB 4.1Å
562	A	80.1	Confident	70.1	Confident	17 Å²	17	71.9 Å²	71.9	14%	0.14	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-69.2	158.8	179.1	0	0	0	0	0	112.8	E79 V564 G700 G701 C702 N703	E79-A562 VanDerWaalsContact CD-C 3.41Å; E79-A562 WeakPolarHBondContact OE1-CA 3.36Å; A562-V564 PolarHBondContact O-N 3.36Å; A562-G700 WeakPolarHBondContact CB-O 3.26Å; A562-G701 VanDerWaalsContact CB-C 3.4Å; A562-G701 VanDerWaalsContact CB-O 3.3Å; A562-G701 WeakPolarHBondContact CB-O 3.46Å; A562-C702 PolarHBondContact N-O 3.3Å; A562-N703 WeakPolarHBondContact O-CB 3.47Å; A562-N703 PolarHBondContact O-ND2 3.34Å
563	T	72.6	Confident	72	Confident	32 Å²	32	71.3 Å²	71.3	20%	0.196	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-61.3	132.1	178	99	0	0	0	0	111.1	S77 E79 I83 S565 N703	S77-T563 VanDerWaalsContact OG-CB 3.22Å; S77-T563 WeakPolarHBondContact OG-CB 3.44Å; S77-T563 PolarHBondContact OG-OG1 3.42Å; S77-T563 VanDerWaalsContact OG-OG1 3.11Å; E79-T563 HydrophobicContact CB-CG2 3.49Å; E79-T563 VanDerWaalsContact CB-CG2 3.49Å; E79-T563 HydrophobicContact CG-CG2 3.59Å; E79-T563 PolarHBondContact OE1-N 2.87Å; E79-T563 PolarHBondContact OE2-N 2.79Å; I83-T563 HydrophobicContact CD1-CG2 3.59Å; T563-S565 PolarHBondContact O-N 2.93Å; T563-N703 PolarHBondContact O-ND2 3.33Å
564	V	75.8	Confident	74.1	Confident	48 Å²	48	77 Å²	77	29%	0.291	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-77	121	169.5	-172.3	0	0	0	0	108.5	A562 V568 K569 N703 P705	A562-V564 PolarHBondContact O-N 3.36Å; V564-V568 HydrophobicContact CG1-CB 4.21Å; V564-V568 HydrophobicContact CG1-CG1 3.98Å; V564-K569 HydrophobicContact CG1-CB 3.89Å; V564-N703 HydrophobicContact CG2-CB 4.21Å; V564-P705 HydrophobicContact CB-CG 4.39Å; V564-P705 HydrophobicContact CG1-CB 4.11Å; V564-P705 HydrophobicContact CG1-CG 3.74Å; V564-P705 HydrophobicContact CG2-CG 3.69Å
565	S	75.3	Confident	76.3	Confident	51 Å²	51	74.2 Å²	74.2	36%	0.357	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-76.3	154.6	171.8	71.4	0	0	0	0	110.6	T563 R567 V568 K569	T563-S565 PolarHBondContact O-N 2.93Å; S565-R567 PolarHBondContact O-N 3.37Å; S565-V568 PolarHBondContact O-N 2.94Å; S565-V568 WeakPolarHBondContact OG-CB 3.35Å; S565-V568 VanDerWaalsContact OG-CG2 3.25Å; S565-V568 WeakPolarHBondContact OG-CG2 3.08Å; S565-V568 PolarHBondContact OG-N 3.28Å; S565-K569 PolarHBondContact O-N 2.97Å
566	E	74.8	Confident	78.7	Confident	146 Å²	146	76.5 Å²	76.5	68%	0.682	39%	0.394	S	S	*	.	H	α-helix	trans	-58.9	-36	179.3	-164.2	60.2	-152.1	0	0	111.9	K569 S570	E566-K569 PolarHBondContact O-N 2.8Å; E566-S570 WeakPolarHBondContact O-CB 3.37Å; E566-S570 PolarHBondContact O-N 3.33Å
567	R	78.9	Confident	80.9	Confident	194 Å²	194	77 Å²	77	73%	0.732	40%	0.4	S	S	*	.	H	α-helix	trans	-60.6	-49.1	173.5	178.1	178.7	171.3	174.7	-2	112	S565 K569 S570 L571	S565-R567 PolarHBondContact O-N 3.37Å; R567-K569 VanDerWaalsContact C-N 3.33Å; R567-S570 WeakPolarHBondContact O-CB 3.33Å; R567-S570 PolarHBondContact O-N 3.43Å; R567-L571 HydrophobicContact CG-CD1 4.2Å; R567-L571 WeakPolarHBondContact O-CG 3.3Å; R567-L571 PolarHBondContact O-N 3.03Å
568	V	83.4	Confident	83.1	Confident	21 Å²	21	76.3 Å²	76.3	13%	0.127	39%	0.39	C	S	.	.	H	α-helix	trans	-64.6	-40.9	179.8	168.3	0	0	0	0	110.5	V564 S565 S570 L571 A572 P705 L706 L709	V564-V568 HydrophobicContact CG1-CB 4.21Å; V564-V568 HydrophobicContact CG1-CG1 3.98Å; S565-V568 PolarHBondContact O-N 2.94Å; S565-V568 WeakPolarHBondContact OG-CB 3.35Å; S565-V568 VanDerWaalsContact OG-CG2 3.25Å; S565-V568 WeakPolarHBondContact OG-CG2 3.08Å; S565-V568 PolarHBondContact OG-N 3.28Å; V568-S570 VanDerWaalsContact C-N 3.33Å; V568-S570 PolarHBondContact O-N 3.33Å; V568-L571 PolarHBondContact O-N 2.97Å; V568-A572 WeakPolarHBondContact O-CB 3.4Å; V568-A572 PolarHBondContact O-N 2.98Å; V568-P705 HydrophobicContact CG1-CB 3.7Å; V568-L706 HydrophobicContact CG1-CD2 3.86Å; V568-L706 HydrophobicContact CG1-CG 3.91Å; V568-L706 HydrophobicContact CG2-CD2 3.85Å; V568-L706 HydrophobicContact CG2-CG 4.48Å; V568-L709 HydrophobicContact CG1-CD1 4.27Å
569	K	83.4	Confident	84.9	Confident	124 Å²	124	74.2 Å²	74.2	54%	0.539	38%	0.383	S	S	.	.	H	α-helix	trans	-59.9	-43.8	175.7	-170.2	-178.1	177	-169.7	0	111.6	V564 S565 E566 R567 A572 S573	V564-K569 HydrophobicContact CG1-CB 3.89Å; S565-K569 PolarHBondContact O-N 2.97Å; E566-K569 PolarHBondContact O-N 2.8Å; R567-K569 VanDerWaalsContact C-N 3.33Å; K569-A572 PolarHBondContact O-N 3.4Å; K569-S573 WeakPolarHBondContact O-CB 2.92Å; K569-S573 PolarHBondContact O-N 2.58Å
570	S	84.7	Confident	86.6	Confident	62 Å²	62	74.4 Å²	74.4	43%	0.434	38%	0.382	S	S	.	.	H	α-helix	trans	-60.4	-50.2	175.5	-170.9	0	0	0	0	111.4	E566 R567 V568 A572 S573	E566-S570 WeakPolarHBondContact O-CB 3.37Å; E566-S570 PolarHBondContact O-N 3.33Å; R567-S570 WeakPolarHBondContact O-CB 3.33Å; R567-S570 PolarHBondContact O-N 3.43Å; V568-S570 VanDerWaalsContact C-N 3.33Å; V568-S570 PolarHBondContact O-N 3.33Å; S570-A572 PolarHBondContact O-N 3.25Å; S570-S573 PolarHBondContact O-N 3.26Å; S570-S573 PolarHBondContact O-OG 2.96Å
571	L	88.4	Confident	87.7	Confident	73 Å²	73	67.8 Å²	67.8	38%	0.382	35%	0.353	S	S	.	.	H	α-helix	trans	-60.9	-45.1	179	-70.2	169.6	0	0	0	111.9	R567 V568 S573 E574 L709	R567-L571 HydrophobicContact CG-CD1 4.2Å; R567-L571 WeakPolarHBondContact O-CG 3.3Å; R567-L571 PolarHBondContact O-N 3.03Å; V568-L571 PolarHBondContact O-N 2.97Å; L571-S573 VanDerWaalsContact C-N 3.25Å; L571-S573 PolarHBondContact O-N 3.4Å; L571-E574 PolarHBondContact O-N 3.04Å; L571-L709 HydrophobicContact CB-CD1 4.15Å; L571-L709 HydrophobicContact CB-CD2 4.14Å
572	A	92.9	Very high	88.6	Confident	11 Å²	11	70.2 Å²	70.2	9%	0.091	36%	0.359	C	S	.	.	H	α-helix	trans	-67.9	-25	179.4	0	0	0	0	0	113.1	V568 K569 S570 E574 L575 P705 L709	V568-A572 WeakPolarHBondContact O-CB 3.4Å; V568-A572 PolarHBondContact O-N 2.98Å; K569-A572 PolarHBondContact O-N 3.4Å; S570-A572 PolarHBondContact O-N 3.25Å; A572-E574 PolarHBondContact O-N 3.3Å; A572-L575 HydrophobicContact CB-CD1 4.42Å; A572-L575 WeakPolarHBondContact O-CB 3.36Å; A572-L575 PolarHBondContact O-N 3.11Å; A572-P705 HydrophobicContact CB-CB 3.64Å; A572-L709 HydrophobicContact CB-CG 4.46Å
573	S	93.2	Very high	89.4	Confident	92 Å²	92	74.3 Å²	74.3	64%	0.643	38%	0.379	S	S	*	.	H	α-helix	trans	-70.1	-16.7	175.4	74.9	0	0	0	0	113.8	K569 S570 L571 L575	K569-S573 WeakPolarHBondContact O-CB 2.92Å; K569-S573 PolarHBondContact O-N 2.58Å; S570-S573 PolarHBondContact O-N 3.26Å; S570-S573 PolarHBondContact O-OG 2.96Å; L571-S573 VanDerWaalsContact C-N 3.25Å; L571-S573 PolarHBondContact O-N 3.4Å; S573-L575 VanDerWaalsContact C-N 3.34Å
574	E	95.3	Very high	90.6	Very high	153 Å²	153	74.7 Å²	74.7	72%	0.715	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-9.8	174.9	-61.6	176.5	-167.1	0	0	112.4	L571 A572	L571-E574 PolarHBondContact O-N 3.04Å; A572-E574 PolarHBondContact O-N 3.3Å
575	L	97.2	Very high	91.5	Very high	29 Å²	29	78.2 Å²	78.2	15%	0.152	41%	0.407	C	S	.	.	S	Bend	trans	-74.5	149.3	178.1	-62.7	178.3	0	0	0	111.4	A572 S573 R708 L709 V712	A572-L575 HydrophobicContact CB-CD1 4.42Å; A572-L575 WeakPolarHBondContact O-CB 3.36Å; A572-L575 PolarHBondContact O-N 3.11Å; S573-L575 VanDerWaalsContact C-N 3.34Å; L575-R708 HydrophobicContact CD1-CB 3.6Å; L575-L709 HydrophobicContact CD1-CD2 3.91Å; L575-L709 HydrophobicContact CD1-CG 4.05Å; L575-L709 HydrophobicContact CD2-CD2 4.19Å; L575-L709 HydrophobicContact CG-CD2 4.19Å; L575-V712 HydrophobicContact CD1-CG2 4.44Å; L575-V712 HydrophobicContact CD2-CB 4.09Å; L575-V712 HydrophobicContact CD2-CG1 4Å; L575-V712 HydrophobicContact CD2-CG2 4.24Å
576	P	96.8	Very high	92.4	Very high	60 Å²	60	78.9 Å²	78.9	39%	0.39	42%	0.422	S	S	.	.			trans	-59	147.5	175.9	26.7	-35.8	0	0	0	110.9	N578 F579 R708 Y765	P576-N578 VanDerWaalsContact C-N 3.29Å; P576-N578 PolarHBondContact O-N 3.17Å; P576-F579 HydrophobicContact CG-CB 4.19Å; P576-F579 HydrophobicContact CG-CD2 4Å; P576-F579 HydrophobicContact CG-CG 4.49Å; P576-R708 PolarHBondContact O-NH2 2.9Å; P576-Y765 WeakPolarHBondContact O-CE2 3.25Å; P576-Y765 PolarHBondContact O-OH 2.87Å
577	E	95.8	Very high	93.5	Very high	124 Å²	124	75.2 Å²	75.2	58%	0.579	41%	0.407	S	S	*	.	S	Bend	trans	-63.1	-35.5	178.6	-177.5	173.9	74.2	0	0	112.6	Y765 V767	E577-Y765 WeakPolarHBondContact O-CD2 3.3Å; E577-Y765 VanDerWaalsContact O-CE2 3.27Å; E577-Y765 WeakPolarHBondContact O-CE2 3Å; E577-V767 HydrophobicContact CG-CB 4.3Å; E577-V767 HydrophobicContact CG-CG2 3.45Å; E577-V767 VanDerWaalsContact CG-CG2 3.45Å
578	N	97.8	Very high	94.4	Very high	73 Å²	73	69.6 Å²	69.6	39%	0.39	39%	0.391	S	S	.	.	S	Bend	trans	-123.8	134.1	177.1	-62.3	-75	0	0	0	109.6	P576 G766 V767	P576-N578 VanDerWaalsContact C-N 3.29Å; P576-N578 PolarHBondContact O-N 3.17Å; N578-G766 WeakPolarHBondContact OD1-CA 3.26Å; N578-V767 PolarHBondContact OD1-N 3.12Å
579	F	98.6	Very high	95.2	Very high	35 Å²	35	70 Å²	70	15%	0.154	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	132.5	178.8	-173	-96.9	0	0	0	110.9	P576 W581 V584 V712 G764 Y765	P576-F579 HydrophobicContact CG-CB 4.19Å; P576-F579 HydrophobicContact CG-CD2 4Å; P576-F579 HydrophobicContact CG-CG 4.49Å; F579-W581 AromaticContact CE1-CD1 3.74Å; F579-W581 AromaticContact CE1-CD2 3.99Å; F579-W581 HydrophobicContact CE1-CD2 3.99Å; F579-W581 AromaticContact CE1-CE2 3.52Å; F579-W581 HydrophobicContact CE1-CG 4.12Å; F579-W581 AromaticContact CE1-CZ2 3.97Å; F579-W581 HydrophobicContact CE1-CZ2 3.97Å; F579-W581 AromaticContact CE1-NE1 3.39Å; F579-W581 HydrophobicContact CZ-CD2 4.14Å; F579-W581 AromaticContact CZ-CE2 3.69Å; F579-W581 HydrophobicContact CZ-CH2 4.16Å; F579-W581 AromaticContact CZ-CZ2 3.71Å; F579-W581 HydrophobicContact CZ-CZ2 3.71Å; F579-V584 HydrophobicContact CZ-CG2 4.39Å; F579-V712 HydrophobicContact CB-CG2 4.39Å; F579-V712 HydrophobicContact CD1-CG2 3.78Å; F579-V712 HydrophobicContact CD2-CG1 4.49Å; F579-V712 HydrophobicContact CD2-CG2 4.17Å; F579-V712 HydrophobicContact CE1-CB 4.41Å; F579-V712 HydrophobicContact CE1-CG2 4.01Å; F579-V712 HydrophobicContact CE2-CG1 4.14Å; F579-V712 HydrophobicContact CE2-CG2 4.41Å; F579-V712 HydrophobicContact CG-CG2 3.85Å; F579-V712 HydrophobicContact CZ-CB 4.44Å; F579-V712 HydrophobicContact CZ-CG1 4.24Å; F579-V712 HydrophobicContact CZ-CG2 4.33Å; F579-G764 CarbonylContact O-C 3.51Å; F579-G764 WeakPolarHBondContact O-CA 3.49Å; F579-Y765 HydrophobicContact CB-CD1 4.31Å; F579-Y765 HydrophobicContact CB-CE1 3.75Å; F579-Y765 HydrophobicContact CB-CE2 4.1Å; F579-Y765 HydrophobicContact CG-CE1 4.47Å; F579-Y765 PolarHBondContact N-O 3.01Å; F579-Y765 PolarHBondContact O-N 3.49Å; F579-Y765 VanDerWaalsContact O-O 3.11Å
580	D	98.6	Very high	95.9	Very high	36 Å²	36	64.1 Å²	64.1	19%	0.193	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	112.2	-175.6	-170.2	-9.1	0	0	0	111.8	R582 N583 V584 I777	D580-R582 PolarHBondContact O-N 3.33Å; D580-R582 VanDerWaalsContact O-N 3.08Å; D580-R582 WeakPolarHBondContact OD1-CB 3.31Å; D580-R582 VanDerWaalsContact OD1-CG 3.23Å; D580-R582 WeakPolarHBondContact OD1-CG 3.02Å; D580-R582 IonicContact OD1-CZ 2.98Å; D580-R582 PolarHBondContact OD1-N 3.05Å; D580-R582 IonicContact OD1-NE 2.81Å; D580-R582 PolarHBondContact OD1-NE 3.23Å; D580-R582 IonicContact OD1-NH2 3.29Å; D580-R582 IonicContact OD2-CZ 3.76Å; D580-R582 VanDerWaalsContact OD2-CZ 3.23Å; D580-R582 IonicContact OD2-NE 3.71Å; D580-R582 PolarHBondContact OD2-NE 2.88Å; D580-R582 IonicContact OD2-NH2 3.88Å; D580-R582 PolarHBondContact OD2-NH2 2.92Å; D580-N583 CarbonylContact O-C 3.54Å; D580-N583 PolarHBondContact O-N 3.01Å; D580-V584 WeakPolarHBondContact O-CG2 3.4Å; D580-I777 HydrophobicContact CB-CD1 4.11Å
581	W	98.7	Very high	96.5	Very high	21 Å²	21	61.2 Å²	61.2	8%	0.08	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.8	176.5	-79.4	114.5	0	0	0	114	F579 N583 V584 Y589 V590 I617 L711 P716 V763	F579-W581 AromaticContact CE1-CD1 3.74Å; F579-W581 AromaticContact CE1-CD2 3.99Å; F579-W581 HydrophobicContact CE1-CD2 3.99Å; F579-W581 AromaticContact CE1-CE2 3.52Å; F579-W581 HydrophobicContact CE1-CG 4.12Å; F579-W581 AromaticContact CE1-CZ2 3.97Å; F579-W581 HydrophobicContact CE1-CZ2 3.97Å; F579-W581 AromaticContact CE1-NE1 3.39Å; F579-W581 HydrophobicContact CZ-CD2 4.14Å; F579-W581 AromaticContact CZ-CE2 3.69Å; F579-W581 HydrophobicContact CZ-CH2 4.16Å; F579-W581 AromaticContact CZ-CZ2 3.71Å; F579-W581 HydrophobicContact CZ-CZ2 3.71Å; W581-N583 PolarHBondContact O-N 3.33Å; W581-V584 HydrophobicContact CD2-CG2 4.26Å; W581-V584 HydrophobicContact CE3-CG2 3.54Å; W581-V584 HydrophobicContact CZ3-CG2 3.88Å; W581-Y589 AromaticContact CE3-CD2 3.92Å; W581-Y589 HydrophobicContact CE3-CD2 3.92Å; W581-Y589 HydrophobicContact CE3-CG 4.15Å; W581-Y589 HydrophobicContact CZ3-CD2 4.13Å; W581-Y589 HydrophobicContact CZ3-CG 4.42Å; W581-Y589 PolarHBondContact O-N 3.08Å; W581-V590 HydrophobicContact CB-CG2 3.63Å; W581-I617 HydrophobicContact CD2-CD1 3.81Å; W581-I617 HydrophobicContact CD2-CG1 4.49Å; W581-I617 HydrophobicContact CE3-CD1 3.74Å; W581-I617 HydrophobicContact CE3-CG1 3.92Å; W581-I617 HydrophobicContact CH2-CD1 3.77Å; W581-I617 HydrophobicContact CH2-CG1 4.06Å; W581-I617 HydrophobicContact CH2-CG2 4.18Å; W581-I617 HydrophobicContact CZ2-CD1 3.81Å; W581-I617 HydrophobicContact CZ3-CD1 3.72Å; W581-I617 HydrophobicContact CZ3-CG1 3.69Å; W581-I617 HydrophobicContact CZ3-CG2 4.41Å; W581-L711 PolarHBondContact NE1-O 3.33Å; W581-P716 HydrophobicContact CB-CG 4.26Å; W581-P716 HydrophobicContact CG-CG 4.08Å; W581-V763 WeakPolarHBondContact CB-O 3.32Å; W581-V763 VanDerWaalsContact CD1-O 3.29Å; W581-V763 PolarHBondContact N-O 3.41Å
582	R	98.3	Very high	96.9	Very high	72 Å²	72	61.9 Å²	61.9	27%	0.272	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.9	173.2	-55.6	173.2	-61.7	172.3	8.9	112.4	D580 N588 V590 V763 I777 Y791	D580-R582 PolarHBondContact O-N 3.33Å; D580-R582 VanDerWaalsContact O-N 3.08Å; D580-R582 WeakPolarHBondContact OD1-CB 3.31Å; D580-R582 VanDerWaalsContact OD1-CG 3.23Å; D580-R582 WeakPolarHBondContact OD1-CG 3.02Å; D580-R582 IonicContact OD1-CZ 2.98Å; D580-R582 PolarHBondContact OD1-N 3.05Å; D580-R582 IonicContact OD1-NE 2.81Å; D580-R582 PolarHBondContact OD1-NE 3.23Å; D580-R582 IonicContact OD1-NH2 3.29Å; D580-R582 IonicContact OD2-CZ 3.76Å; D580-R582 VanDerWaalsContact OD2-CZ 3.23Å; D580-R582 IonicContact OD2-NE 3.71Å; D580-R582 PolarHBondContact OD2-NE 2.88Å; D580-R582 IonicContact OD2-NH2 3.88Å; D580-R582 PolarHBondContact OD2-NH2 2.92Å; R582-N588 WeakPolarHBondContact CA-OD1 3.41Å; R582-N588 VanDerWaalsContact O-CA 3.27Å; R582-N588 WeakPolarHBondContact O-CA 3.37Å; R582-N588 WeakPolarHBondContact O-CB 3.42Å; R582-V590 HydrophobicContact CG-CB 4.09Å; R582-V590 HydrophobicContact CG-CG2 3.78Å; R582-V763 HydrophobicContact CG-CG2 4.35Å; R582-I777 VanDerWaalsContact CZ-CG2 3.45Å; R582-Y791 HydrophobicContact CG-CE1 4.46Å
583	N	97.8	Very high	97.1	Very high	103 Å²	103	62.5 Å²	62.5	55%	0.551	36%	0.356	S	S	*	.			trans	-151.8	77.3	179.4	-175.4	10	0	0	0	111.1	D580 W581 G586	D580-N583 CarbonylContact O-C 3.54Å; D580-N583 PolarHBondContact O-N 3.01Å; W581-N583 PolarHBondContact O-N 3.33Å; N583-G586 WeakPolarHBondContact OD1-CA 3.43Å; N583-G586 PolarHBondContact OD1-N 2.85Å
584	V	96.9	Very high	97.3	Very high	40 Å²	40	60.5 Å²	60.5	24%	0.242	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-97.6	104.3	168.4	-178.8	0	0	0	0	107.5	F579 D580 W581 G586 I587 Y589	F579-V584 HydrophobicContact CZ-CG2 4.39Å; D580-V584 WeakPolarHBondContact O-CG2 3.4Å; W581-V584 HydrophobicContact CD2-CG2 4.26Å; W581-V584 HydrophobicContact CE3-CG2 3.54Å; W581-V584 HydrophobicContact CZ3-CG2 3.88Å; V584-G586 VanDerWaalsContact C-N 3.27Å; V584-G586 PolarHBondContact O-N 3.26Å; V584-I587 PolarHBondContact N-O 3.38Å; V584-I587 WeakPolarHBondContact O-CB 3.24Å; V584-I587 PolarHBondContact O-N 3.09Å; V584-Y589 HydrophobicContact CB-CD2 4.19Å; V584-Y589 HydrophobicContact CB-CE2 4.1Å; V584-Y589 HydrophobicContact CG2-CD2 4.44Å
585	S	93.8	Very high	97.4	Very high	122 Å²	122	55.8 Å²	55.8	85%	0.853	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	39.4	-177.5	-56.3	0	0	0	0	113.6	I587	S585-I587 VanDerWaalsContact C-N 3.33Å
586	G	96.1	Very high	97.3	Very high	65 Å²	65	54.4 Å²	54.4	67%	0.67	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-1.8	-178.6	0	0	0	0	0	114.8	N583 V584	N583-G586 WeakPolarHBondContact OD1-CA 3.43Å; N583-G586 PolarHBondContact OD1-N 2.85Å; V584-G586 VanDerWaalsContact C-N 3.27Å; V584-G586 PolarHBondContact O-N 3.26Å
587	I	97.8	Very high	97.1	Very high	69 Å²	69	52.4 Å²	52.4	35%	0.354	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-105.4	129.2	-178	-54.1	176.3	0	0	0	110	V584 S585 Y589 N621	V584-I587 PolarHBondContact N-O 3.38Å; V584-I587 WeakPolarHBondContact O-CB 3.24Å; V584-I587 PolarHBondContact O-N 3.09Å; S585-I587 VanDerWaalsContact C-N 3.33Å; I587-Y589 HydrophobicContact CB-CD2 4.37Å; I587-Y589 HydrophobicContact CB-CE2 3.76Å; I587-Y589 HydrophobicContact CG2-CD2 4.02Å; I587-Y589 HydrophobicContact CG2-CE1 4.25Å; I587-Y589 HydrophobicContact CG2-CE2 3.55Å; I587-N621 HydrophobicContact CG2-CB 4.22Å
588	N	98.1	Very high	96.7	Very high	76 Å²	76	49.8 Å²	49.8	41%	0.406	29%	0.29	S	S	.	.			trans	-93	114.1	172.9	-176.3	-1.4	0	0	0	110.5	R582 V590 N621	R582-N588 WeakPolarHBondContact CA-OD1 3.41Å; R582-N588 VanDerWaalsContact O-CA 3.27Å; R582-N588 WeakPolarHBondContact O-CA 3.37Å; R582-N588 WeakPolarHBondContact O-CB 3.42Å; N588-V590 PolarHBondContact OD1-N 3.09Å; N588-V590 PolarHBondContact OD1-O 3.26Å; N588-N621 PolarHBondContact O-ND2 3.35Å
589	Y	98.4	Very high	96.4	Very high	29 Å²	29	46.4 Å²	46.4	11%	0.114	27%	0.272	C	S	.	.			trans	-96.7	-4	177	-71.2	-83.1	0	0	0	113.5	W581 V584 I587 S613 R616 I617 N621	W581-Y589 AromaticContact CE3-CD2 3.92Å; W581-Y589 HydrophobicContact CE3-CD2 3.92Å; W581-Y589 HydrophobicContact CE3-CG 4.15Å; W581-Y589 HydrophobicContact CZ3-CD2 4.13Å; W581-Y589 HydrophobicContact CZ3-CG 4.42Å; W581-Y589 PolarHBondContact O-N 3.08Å; V584-Y589 HydrophobicContact CB-CD2 4.19Å; V584-Y589 HydrophobicContact CB-CE2 4.1Å; V584-Y589 HydrophobicContact CG2-CD2 4.44Å; I587-Y589 HydrophobicContact CB-CD2 4.37Å; I587-Y589 HydrophobicContact CB-CE2 3.76Å; I587-Y589 HydrophobicContact CG2-CD2 4.02Å; I587-Y589 HydrophobicContact CG2-CE1 4.25Å; I587-Y589 HydrophobicContact CG2-CE2 3.55Å; Y589-S613 VanDerWaalsContact O-CA 3.29Å; Y589-S613 WeakPolarHBondContact O-CA 3.17Å; Y589-S613 WeakPolarHBondContact O-CB 3.4Å; Y589-R616 HydrophobicContact CD1-CB 3.96Å; Y589-R616 WeakPolarHBondContact CE1-O 3.28Å; Y589-R616 WeakPolarHBondContact O-CD 3.3Å; Y589-I617 HydrophobicContact CD1-CB 4.45Å; Y589-I617 HydrophobicContact CD1-CG1 3.88Å; Y589-I617 HydrophobicContact CG-CG1 3.98Å; Y589-N621 HydrophobicContact CD1-CB 4.23Å; Y589-N621 HydrophobicContact CE1-CB 3.85Å
590	V	98.5	Very high	95.9	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	27%	0.265	C	S	.	.	S	Bend	trans	-90.9	130.3	-179.1	-176.5	0	0	0	0	109.6	W581 R582 N588 V763 K779	W581-V590 HydrophobicContact CB-CG2 3.63Å; R582-V590 HydrophobicContact CG-CB 4.09Å; R582-V590 HydrophobicContact CG-CG2 3.78Å; N588-V590 PolarHBondContact OD1-N 3.09Å; N588-V590 PolarHBondContact OD1-O 3.26Å; V590-V763 HydrophobicContact CG1-CG1 3.9Å; V590-V763 HydrophobicContact CG2-CB 3.88Å; V590-V763 HydrophobicContact CG2-CG1 3.9Å; V590-K779 HydrophobicContact CG1-CD 3.78Å
591	S	96.6	Very high	95.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-62.4	160.4	176.2	65.7	0	0	0	0	112.1	E612 K779	S591-E612 WeakPolarHBondContact CB-OE2 3.24Å; S591-E612 PolarHBondContact OG-OE2 2.9Å; S591-K779 VanDerWaalsContact C-NZ 3.31Å; S591-K779 WeakPolarHBondContact O-CE 3.44Å; S591-K779 PolarHBondContact O-NZ 2.91Å; S591-K779 PolarHBondContact OG-NZ 3.35Å
592	P	97.3	Very high	95.5	Very high	87 Å²	87	42.4 Å²	42.4	57%	0.565	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-57.1	152.2	176.9	-26.6	35.9	0	0	0	113.9	K779	P592-K779 WeakPolarHBondContact O-CE 3.19Å; P592-K779 PolarHBondContact O-NZ 3.04Å
593	V	98.4	Very high	95.3	Very high	23 Å²	23	39 Å²	39	14%	0.139	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-68.4	135.3	172.5	170.6	0	0	0	0	109.9	K779 T784 Y791	V593-K779 HydrophobicContact CG2-CG 4.27Å; V593-T784 HydrophobicContact CB-CG2 3.89Å; V593-T784 HydrophobicContact CG1-CG2 4.14Å; V593-Y791 HydrophobicContact CG2-CD2 4.08Å; V593-Y791 HydrophobicContact CG2-CE2 3.46Å; V593-Y791 VanDerWaalsContact CG2-CE2 3.46Å
594	R	97.6	Very high	95.2	Very high	51 Å²	51	34.1 Å²	34.1	19%	0.192	22%	0.215	C	C	.	.			trans	-122.1	170.3	177.4	-63.2	175.6	62.9	-172.6	-3.1	110.6	F605 F627 E663 S781 G783	R594-F605 HydrophobicContact CB-CD1 4.08Å; R594-F605 HydrophobicContact CB-CE1 3.77Å; R594-F627 PolarHBondContact NH1-O 2.74Å; R594-E663 IonicContact CZ-OE1 2.75Å; R594-E663 IonicContact CZ-OE2 3.28Å; R594-E663 IonicContact NH1-OE2 3.14Å; R594-E663 PolarHBondContact NH1-OE2 3.12Å; R594-E663 IonicContact NH2-OE1 3.78Å; R594-E663 PolarHBondContact NH2-OE1 3.38Å; R594-E663 IonicContact NH2-OE2 3.77Å; R594-E663 PolarHBondContact NH2-OE2 3.5Å; R594-S781 CarbonylContact O-C 3.6Å; R594-S781 VanDerWaalsContact O-CA 3.29Å; R594-S781 WeakPolarHBondContact O-CA 3.27Å; R594-G783 PolarHBondContact O-N 2.99Å
595	S	96.4	Very high	95.3	Very high	53 Å²	53	32.7 Å²	32.7	37%	0.371	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-118	124.1	177.7	-175.3	0	0	0	0	111.4	G597 S781	S595-G597 PolarHBondContact O-N 2.84Å; S595-G597 PolarHBondContact OG-N 2.84Å; S595-S781 CarbonylContact C-O 3.58Å; S595-S781 VanDerWaalsContact CA-O 3.28Å; S595-S781 WeakPolarHBondContact CA-O 3.39Å
596	Q	94.9	Very high	95.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.167	C	C	.	.			trans	-72.2	-13.1	172.9	73.8	-179.3	96.6	0	0	112.9	C599 F605 Y668 H758 S781	Q596-C599 PolarHBondContact NE2-O 2.87Å; Q596-F605 HydrophobicContact CB-CD2 3.72Å; Q596-F605 HydrophobicContact CB-CE2 3.71Å; Q596-F605 HydrophobicContact CB-CG 4.39Å; Q596-F605 HydrophobicContact CB-CZ 4.35Å; Q596-Y668 WeakPolarHBondContact O-CE1 3.19Å; Q596-Y668 PolarHBondContact O-OH 3.28Å; Q596-H758 PolarHBondContact OE1-CE1 2.84Å; Q596-S781 PolarHBondContact N-O 2.8Å; Q596-S781 PolarHBondContact OE1-OG 3.22Å
597	G	92.5	Very high	95.6	Very high	19 Å²	19	24 Å²	24	20%	0.196	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	-134.6	-176.4	0	0	0	0	0	112.9	S595	S595-G597 PolarHBondContact O-N 2.84Å; S595-G597 PolarHBondContact OG-N 2.84Å
598	Q	88.7	Confident	95.7	Very high	69 Å²	69	20.8 Å²	20.8	32%	0.322	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.6	-176.6	70.7	-86.6	34.6	0	0	114.5	L539 E543 R546	L539-Q598 HydrophobicContact CD2-CB 4.03Å; E543-Q598 HydrophobicContact CB-CB 3.89Å; E543-Q598 HydrophobicContact CG-CB 3.75Å; E543-Q598 HydrophobicContact CG-CG 4.43Å; R546-Q598 WeakPolarHBondContact CB-O 3.27Å
599	C	90.3	Very high	95.7	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.014	10%	0.102	C	C	.	.	S	Bend	trans	-85.8	139	-179.5	-178.5	0	0	0	0	110.6	Q596 S601 C642 Y668 G670	Q596-C599 PolarHBondContact NE2-O 2.87Å; C599-S601 PolarHBondContact O-N 2.87Å; C599-C642 HydrophobicContact CB-CB 3.92Å; C599-C642 WeakPolarHBondContact CB-SG 3.01Å; C599-C642 WeakPolarHBondContact SG-CA 3.43Å; C599-C642 WeakPolarHBondContact SG-CB 3.36Å; C599-C642 CovalentContact SG-SG 2.04Å; C599-C642 PolarHBondContact SG-SG 3.43Å; C599-Y668 VanDerWaalsContact CB-OH 3.3Å; C599-Y668 WeakPolarHBondContact CB-OH 3.47Å; C599-G670 WeakPolarHBondContact CB-O 3.48Å
600	G	88.2	Confident	95.7	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.01	10%	0.097	C	C	.	.			trans	-76.3	48.2	174.7	0	0	0	0	0	113.3	R546 Y603 C642	R546-G600 WeakPolarHBondContact O-CA 3.42Å; G600-Y603 WeakPolarHBondContact O-CE1 3.47Å; G600-C642 WeakPolarHBondContact CA-O 3.29Å; G600-C642 PolarHBondContact N-O 3.14Å
601	S	93.8	Very high	95.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.097	C	C	.	.			trans	-98.4	17	-173.6	54.6	0	0	0	0	113.9	C599 Y603 A604 F605 Y668	C599-S601 PolarHBondContact O-N 2.87Å; S601-Y603 PolarHBondContact O-N 2.89Å; S601-Y603 VanDerWaalsContact O-N 3.14Å; S601-A604 WeakPolarHBondContact O-CB 3.24Å; S601-A604 PolarHBondContact O-N 2.9Å; S601-F605 WeakPolarHBondContact O-CD2 3.45Å; S601-F605 PolarHBondContact O-N 3.1Å; S601-F605 VanDerWaalsContact O-N 3.11Å; S601-F605 WeakPolarHBondContact OG-CE2 3.1Å; S601-Y668 PolarHBondContact OG-OH 3.08Å
602	C	94.7	Very high	95.8	Very high	6 Å²	6	16.4 Å²	16.4	4%	0.041	10%	0.098	C	C	.	.	H	α-helix	trans	-50.8	-39.1	179.8	56.5	0	0	0	0	112.8	A604 F605 A606 H758 A759	C602-A604 VanDerWaalsContact C-N 3.3Å; C602-A604 PolarHBondContact O-N 2.91Å; C602-F605 PolarHBondContact O-N 3.49Å; C602-A606 VanDerWaalsContact O-CB 3.26Å; C602-A606 WeakPolarHBondContact O-CB 3.45Å; C602-A606 PolarHBondContact O-N 3.1Å; C602-H758 VanDerWaalsContact CB-CE1 3.41Å; C602-H758 WeakPolarHBondContact CB-CE1 3.42Å; C602-H758 VanDerWaalsContact CB-ND1 3.34Å; C602-H758 WeakPolarHBondContact CB-ND1 3.28Å; C602-A759 HydrophobicContact CB-CB 4.43Å
603	Y	93.9	Very high	95.8	Very high	1 Å²	1	12.2 Å²	12.2	0%	0.004	7%	0.071	C	C	.	.	H	α-helix	trans	-57.7	-40.7	176.3	68.2	-90.4	0	0	0	112.5	G600 S601 S607 I632 S639 G641 G644 G645 I650	G600-Y603 WeakPolarHBondContact O-CE1 3.47Å; S601-Y603 PolarHBondContact O-N 2.89Å; S601-Y603 VanDerWaalsContact O-N 3.14Å; Y603-S607 WeakPolarHBondContact O-CB 3.3Å; Y603-S607 PolarHBondContact O-N 3.43Å; Y603-S607 VanDerWaalsContact O-N 3.1Å; Y603-S607 PolarHBondContact O-OG 3.1Å; Y603-I632 HydrophobicContact CE2-CG2 3.79Å; Y603-S639 WeakPolarHBondContact OH-CB 3.39Å; Y603-S639 PolarHBondContact OH-OG 2.72Å; Y603-S639 VanDerWaalsContact OH-OG 3.05Å; Y603-G641 WeakPolarHBondContact CE1-O 3.36Å; Y603-G641 WeakPolarHBondContact OH-CA 3.35Å; Y603-G641 PolarHBondContact OH-O 3.23Å; Y603-G644 WeakPolarHBondContact CE1-O 3.06Å; Y603-G645 VanDerWaalsContact CB-O 3.3Å; Y603-G645 WeakPolarHBondContact CB-O 3.46Å; Y603-G645 VanDerWaalsContact CD1-N 3.29Å; Y603-I650 HydrophobicContact CD2-CB 4.22Å; Y603-I650 HydrophobicContact CD2-CG1 3.68Å; Y603-I650 HydrophobicContact CD2-CG2 4.26Å; Y603-I650 HydrophobicContact CE2-CD1 4.47Å; Y603-I650 HydrophobicContact CE2-CG1 3.83Å; Y603-I650 HydrophobicContact CE2-CG2 4.49Å
604	A	97	Very high	95.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-74.7	-43.5	179.3	0	0	0	0	0	110.8	S601 C602 A606 S607 A608 P629 I632 W660	S601-A604 WeakPolarHBondContact O-CB 3.24Å; S601-A604 PolarHBondContact O-N 2.9Å; C602-A604 VanDerWaalsContact C-N 3.3Å; C602-A604 PolarHBondContact O-N 2.91Å; A604-A606 PolarHBondContact O-N 2.94Å; A604-S607 PolarHBondContact O-N 3.22Å; A604-A608 VanDerWaalsContact O-CB 3.31Å; A604-A608 WeakPolarHBondContact O-CB 3.46Å; A604-A608 PolarHBondContact O-N 3.46Å; A604-P629 HydrophobicContact CB-CB 3.95Å; A604-I632 HydrophobicContact CB-CB 4.13Å; A604-I632 HydrophobicContact CB-CG1 4.41Å; A604-I632 HydrophobicContact CB-CG2 4Å; A604-W660 HydrophobicContact CB-CH2 4.42Å; A604-W660 WeakPolarHBondContact O-CH2 3.38Å
605	F	98.4	Very high	95.7	Very high	11 Å²	11	9.1 Å²	9.1	5%	0.048	6%	0.056	C	C	.	.	H	α-helix	trans	-62.6	-41.6	176.4	-84.1	-90.9	0	0	0	112.5	R594 Q596 S601 C602 A608 A609 P629 Y668	R594-F605 HydrophobicContact CB-CD1 4.08Å; R594-F605 HydrophobicContact CB-CE1 3.77Å; Q596-F605 HydrophobicContact CB-CD2 3.72Å; Q596-F605 HydrophobicContact CB-CE2 3.71Å; Q596-F605 HydrophobicContact CB-CG 4.39Å; Q596-F605 HydrophobicContact CB-CZ 4.35Å; S601-F605 WeakPolarHBondContact O-CD2 3.45Å; S601-F605 PolarHBondContact O-N 3.1Å; S601-F605 VanDerWaalsContact O-N 3.11Å; S601-F605 WeakPolarHBondContact OG-CE2 3.1Å; C602-F605 PolarHBondContact O-N 3.49Å; F605-A608 PolarHBondContact O-N 2.82Å; F605-A609 WeakPolarHBondContact O-CB 3.06Å; F605-A609 PolarHBondContact O-N 3.19Å; F605-P629 HydrophobicContact CD1-CG 4.01Å; F605-P629 HydrophobicContact CD2-CB 3.96Å; F605-P629 HydrophobicContact CD2-CG 3.98Å; F605-P629 HydrophobicContact CE1-CG 3.88Å; F605-P629 HydrophobicContact CE2-CB 3.72Å; F605-P629 HydrophobicContact CE2-CG 3.82Å; F605-P629 HydrophobicContact CG-CG 4.07Å; F605-P629 HydrophobicContact CZ-CB 4.1Å; F605-P629 HydrophobicContact CZ-CG 3.78Å; F605-Y668 HydrophobicContact CE2-CD1 4.32Å; F605-Y668 HydrophobicContact CE2-CD2 4.08Å; F605-Y668 AromaticContact CE2-CE1 3.84Å; F605-Y668 HydrophobicContact CE2-CE1 3.84Å; F605-Y668 AromaticContact CE2-CE2 3.59Å; F605-Y668 HydrophobicContact CE2-CE2 3.59Å; F605-Y668 HydrophobicContact CE2-CG 4.42Å; F605-Y668 AromaticContact CE2-CZ 3.43Å; F605-Y668 VanDerWaalsContact CE2-CZ 3.43Å; F605-Y668 AromaticContact CZ-CD1 3.73Å; F605-Y668 HydrophobicContact CZ-CD1 3.73Å; F605-Y668 AromaticContact CZ-CD2 3.97Å; F605-Y668 HydrophobicContact CZ-CD2 3.97Å; F605-Y668 AromaticContact CZ-CE1 3.63Å; F605-Y668 HydrophobicContact CZ-CE1 3.63Å; F605-Y668 AromaticContact CZ-CE2 3.9Å; F605-Y668 HydrophobicContact CZ-CE2 3.9Å; F605-Y668 AromaticContact CZ-CG 3.88Å; F605-Y668 HydrophobicContact CZ-CG 3.88Å; F605-Y668 AromaticContact CZ-CZ 3.71Å
606	A	98.3	Very high	95.7	Very high	4 Å²	4	7.2 Å²	7.2	3%	0.033	4%	0.041	C	C	.	.	H	α-helix	trans	-67.1	-45.5	178.9	0	0	0	0	0	111.1	C602 A604 A608 A609 M610 V718 A759 V761	C602-A606 VanDerWaalsContact O-CB 3.26Å; C602-A606 WeakPolarHBondContact O-CB 3.45Å; C602-A606 PolarHBondContact O-N 3.1Å; A604-A606 PolarHBondContact O-N 2.94Å; A606-A608 PolarHBondContact O-N 2.02Å; A606-A609 PolarHBondContact O-N 2.79Å; A606-M610 WeakPolarHBondContact O-CB 3.28Å; A606-M610 PolarHBondContact O-N 3.25Å; A606-V718 HydrophobicContact CB-CG1 3.61Å; A606-V718 HydrophobicContact CB-CG2 4.19Å; A606-V718 WeakPolarHBondContact O-CG2 3.26Å; A606-A759 HydrophobicContact CB-CB 4.03Å; A606-V761 VanDerWaalsContact CA-CG2 3.5Å; A606-V761 HydrophobicContact CB-CG2 3.79Å; A606-V761 WeakPolarHBondContact O-CG2 3.25Å
607	S	98.4	Very high	95.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59.5	-44.2	173.7	-68.9	0	0	0	0	112.9	Y603 A604 M610 L611 P647 G651	Y603-S607 WeakPolarHBondContact O-CB 3.3Å; Y603-S607 PolarHBondContact O-N 3.43Å; Y603-S607 VanDerWaalsContact O-N 3.1Å; Y603-S607 PolarHBondContact O-OG 3.1Å; A604-S607 PolarHBondContact O-N 3.22Å; S607-M610 PolarHBondContact O-N 2.66Å; S607-L611 WeakPolarHBondContact O-CG 3.15Å; S607-L611 PolarHBondContact O-N 3.15Å; S607-L611 VanDerWaalsContact O-N 3.09Å; S607-P647 WeakPolarHBondContact OG-CA 3.01Å; S607-P647 PolarHBondContact OG-O 3.43Å; S607-G651 WeakPolarHBondContact OG-CA 3.32Å; S607-G651 PolarHBondContact OG-N 2.82Å; S607-G651 VanDerWaalsContact OG-N 3.11Å
608	A	98.5	Very high	95.9	Very high	2 Å²	2	12.6 Å²	12.6	2%	0.017	6%	0.064	C	C	.	.	H	α-helix	trans	-60.4	-52.8	175.7	0	0	0	0	0	111	A604 F605 A606 M610 L611 E612 F627 W660	A604-A608 VanDerWaalsContact O-CB 3.31Å; A604-A608 WeakPolarHBondContact O-CB 3.46Å; A604-A608 PolarHBondContact O-N 3.46Å; F605-A608 PolarHBondContact O-N 2.82Å; A606-A608 PolarHBondContact O-N 2.02Å; A608-M610 VanDerWaalsContact C-N 3.28Å; A608-M610 PolarHBondContact O-N 2.96Å; A608-L611 PolarHBondContact O-N 3.34Å; A608-L611 VanDerWaalsContact O-N 3.12Å; A608-E612 WeakPolarHBondContact O-CB 3.44Å; A608-E612 WeakPolarHBondContact O-CG 3.2Å; A608-E612 PolarHBondContact O-N 3.29Å; A608-F627 HydrophobicContact CB-CB 4.11Å; A608-W660 HydrophobicContact CB-CH2 3.93Å; A608-W660 HydrophobicContact CB-CZ3 3.91Å
609	A	98.7	Very high	96.2	Very high	7 Å²	7	9.8 Å²	9.8	6%	0.058	5%	0.052	C	C	.	.	H	α-helix	trans	-60.9	-35.2	-178	0	0	0	0	0	113.1	F605 A606 S613 V761 K779	F605-A609 WeakPolarHBondContact O-CB 3.06Å; F605-A609 PolarHBondContact O-N 3.19Å; A606-A609 PolarHBondContact O-N 2.79Å; A609-S613 WeakPolarHBondContact O-CB 3.28Å; A609-S613 PolarHBondContact O-N 2.87Å; A609-S613 VanDerWaalsContact O-N 3.16Å; A609-S613 PolarHBondContact O-OG 2.83Å; A609-V761 HydrophobicContact CB-CG2 3.93Å; A609-K779 HydrophobicContact CB-CD 4.28Å
610	M	98.6	Very high	96.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.7	-55.2	171.5	-176.1	-159.7	68.5	0	0	111.2	A606 S607 A608 E612 S613 R614 P716 V718 F808 A810	A606-M610 WeakPolarHBondContact O-CB 3.28Å; A606-M610 PolarHBondContact O-N 3.25Å; S607-M610 PolarHBondContact O-N 2.66Å; A608-M610 VanDerWaalsContact C-N 3.28Å; A608-M610 PolarHBondContact O-N 2.96Å; M610-E612 PolarHBondContact O-N 3.09Å; M610-S613 PolarHBondContact O-N 2.84Å; M610-R614 WeakPolarHBondContact O-CG 3.31Å; M610-R614 PolarHBondContact O-N 3.19Å; M610-P716 WeakPolarHBondContact CG-O 3.45Å; M610-V718 HydrophobicContact CB-CG2 3.66Å; M610-V718 HydrophobicContact CG-CG2 4.11Å; M610-V718 HydrophobicContact SD-CG2 3.8Å; M610-F808 HydrophobicContact CE-CD1 4.34Å; M610-F808 HydrophobicContact CE-CE1 3.65Å; M610-F808 HydrophobicContact CE-CZ 4.43Å; M610-F808 HydrophobicContact SD-CD1 4.03Å; M610-F808 HydrophobicContact SD-CE1 3.94Å; M610-A810 HydrophobicContact CE-CB 3.81Å
611	L	98.4	Very high	96.7	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-64	-41.9	-178.1	-68.3	173.2	0	0	0	112.3	S607 A608 S613 R614 Y615 F627 A655 W660 A689 A810 P812	S607-L611 WeakPolarHBondContact O-CG 3.15Å; S607-L611 PolarHBondContact O-N 3.15Å; S607-L611 VanDerWaalsContact O-N 3.09Å; A608-L611 PolarHBondContact O-N 3.34Å; A608-L611 VanDerWaalsContact O-N 3.12Å; L611-S613 VanDerWaalsContact C-N 3.33Å; L611-S613 PolarHBondContact O-N 3.07Å; L611-R614 PolarHBondContact O-N 3.34Å; L611-Y615 WeakPolarHBondContact O-CD2 3.32Å; L611-Y615 PolarHBondContact O-N 2.73Å; L611-F627 HydrophobicContact CB-CD2 4.01Å; L611-F627 HydrophobicContact CB-CE2 3.7Å; L611-A655 HydrophobicContact CD1-CB 4.16Å; L611-W660 HydrophobicContact CD1-CG 4.49Å; L611-A689 HydrophobicContact CD2-CB 3.91Å; L611-A810 HydrophobicContact CD2-CB 4.35Å; L611-P812 HydrophobicContact CD2-CG 3.98Å
612	E	98.2	Very high	96.7	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.019	13%	0.13	C	C	.	.	H	α-helix	trans	-58.6	-44.9	176.7	-69.6	167.1	174.1	0	0	111.2	S591 A608 M610 Y615 R616 P625 V626 F627	S591-E612 WeakPolarHBondContact CB-OE2 3.24Å; S591-E612 PolarHBondContact OG-OE2 2.9Å; A608-E612 WeakPolarHBondContact O-CB 3.44Å; A608-E612 WeakPolarHBondContact O-CG 3.2Å; A608-E612 PolarHBondContact O-N 3.29Å; M610-E612 PolarHBondContact O-N 3.09Å; E612-Y615 PolarHBondContact O-N 3.33Å; E612-R616 WeakPolarHBondContact O-CD 3.35Å; E612-R616 VanDerWaalsContact O-CG 3.3Å; E612-R616 WeakPolarHBondContact O-CG 3.46Å; E612-R616 PolarHBondContact O-N 2.83Å; E612-R616 VanDerWaalsContact O-N 3.14Å; E612-P625 WeakPolarHBondContact CG-O 3.49Å; E612-V626 WeakPolarHBondContact OE1-CA 3.28Å; E612-F627 HydrophobicContact CG-CD2 3.6Å; E612-F627 HydrophobicContact CG-CE2 4.03Å; E612-F627 HydrophobicContact CG-CG 4.34Å; E612-F627 PolarHBondContact OE1-N 3.18Å
613	S	98.5	Very high	96.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.9	-40.1	178.8	-51.8	0	0	0	0	111.3	Y589 A609 M610 L611 R616 I617	Y589-S613 VanDerWaalsContact O-CA 3.29Å; Y589-S613 WeakPolarHBondContact O-CA 3.17Å; Y589-S613 WeakPolarHBondContact O-CB 3.4Å; A609-S613 WeakPolarHBondContact O-CB 3.28Å; A609-S613 PolarHBondContact O-N 2.87Å; A609-S613 VanDerWaalsContact O-N 3.16Å; A609-S613 PolarHBondContact O-OG 2.83Å; M610-S613 PolarHBondContact O-N 2.84Å; L611-S613 VanDerWaalsContact C-N 3.33Å; L611-S613 PolarHBondContact O-N 3.07Å; S613-R616 WeakPolarHBondContact O-CB 3.08Å; S613-R616 PolarHBondContact O-N 3.15Å; S613-I617 WeakPolarHBondContact O-CG1 3.43Å; S613-I617 PolarHBondContact O-N 3.49Å
614	R	97.7	Very high	96.8	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-67.8	-34	177	-69.9	-176.4	174.2	-132.7	-11.3	112.8	M610 L611 I617 L618 N714 G715 P716 E809 A810 P812	M610-R614 WeakPolarHBondContact O-CG 3.31Å; M610-R614 PolarHBondContact O-N 3.19Å; L611-R614 PolarHBondContact O-N 3.34Å; R614-I617 PolarHBondContact O-N 2.8Å; R614-L618 WeakPolarHBondContact O-CB 3.48Å; R614-L618 VanDerWaalsContact O-CG 3.28Å; R614-L618 WeakPolarHBondContact O-CG 3.25Å; R614-L618 PolarHBondContact O-N 3.36Å; R614-N714 WeakPolarHBondContact CG-O 3.35Å; R614-N714 VanDerWaalsContact CZ-O 3.26Å; R614-N714 PolarHBondContact NE-O 3.43Å; R614-G715 PolarHBondContact NH2-O 3.12Å; R614-G715 VanDerWaalsContact NH2-O 3.13Å; R614-P716 PolarHBondContact NE-O 3.44Å; R614-P716 PolarHBondContact NH2-O 2.78Å; R614-E809 IonicContact CZ-OE2 3.08Å; R614-E809 IonicContact NH1-OE2 3.99Å; R614-E809 IonicContact NH2-OE2 3.97Å; R614-E809 PolarHBondContact NH2-OE2 2.65Å; R614-A810 WeakPolarHBondContact CD-O 3.5Å; R614-A810 PolarHBondContact NH1-O 2.99Å; R614-P812 HydrophobicContact CB-CG 3.56Å
615	Y	96.2	Very high	96.8	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-43.5	168.9	-96.5	-73.9	0	0	0	112	L611 E612 I617 L618 T619 Y623 P625 F627 F687 P812 I813	L611-Y615 WeakPolarHBondContact O-CD2 3.32Å; L611-Y615 PolarHBondContact O-N 2.73Å; E612-Y615 PolarHBondContact O-N 3.33Å; Y615-I617 VanDerWaalsContact C-N 3.33Å; Y615-I617 PolarHBondContact O-N 2.8Å; Y615-L618 PolarHBondContact O-N 3.48Å; Y615-T619 WeakPolarHBondContact O-CB 3.49Å; Y615-T619 VanDerWaalsContact O-CG2 3.27Å; Y615-T619 WeakPolarHBondContact O-CG2 3.24Å; Y615-T619 PolarHBondContact O-N 3Å; Y615-T619 VanDerWaalsContact O-N 3.07Å; Y615-T619 PolarHBondContact O-OG1 2.78Å; Y615-Y623 HydrophobicContact CD1-CD1 4.21Å; Y615-P625 HydrophobicContact CD1-CG 4.36Å; Y615-P625 HydrophobicContact CD2-CG 3.93Å; Y615-P625 HydrophobicContact CG-CG 3.74Å; Y615-F627 AromaticContact CD2-CE2 3.81Å; Y615-F627 HydrophobicContact CD2-CE2 3.81Å; Y615-F627 AromaticContact CD2-CZ 3.56Å; Y615-F627 HydrophobicContact CD2-CZ 3.56Å; Y615-F627 HydrophobicContact CE2-CE1 4.5Å; Y615-F627 AromaticContact CE2-CE2 3.99Å; Y615-F627 HydrophobicContact CE2-CE2 3.99Å; Y615-F627 AromaticContact CE2-CZ 3.42Å; Y615-F627 HydrophobicContact CE2-CZ 3.42Å; Y615-F627 VanDerWaalsContact CE2-CZ 3.42Å; Y615-F687 HydrophobicContact CE1-CD1 4.39Å; Y615-F687 HydrophobicContact CE2-CB 4.38Å; Y615-F687 HydrophobicContact CE2-CD1 4.39Å; Y615-F687 AromaticContact CZ-CD1 3.89Å; Y615-P812 HydrophobicContact CD1-CB 4.42Å; Y615-P812 HydrophobicContact CD2-CB 3.59Å; Y615-P812 HydrophobicContact CD2-CG 3.99Å; Y615-P812 HydrophobicContact CE1-CB 4.2Å; Y615-P812 HydrophobicContact CE2-CB 3.34Å; Y615-P812 HydrophobicContact CE2-CG 4.19Å; Y615-P812 HydrophobicContact CG-CB 4.13Å; Y615-P812 HydrophobicContact CG-CG 4.5Å; Y615-I813 PolarHBondContact OH-O 2.7Å
616	R	96.7	Very high	96.7	Very high	14 Å²	14	34.3 Å²	34.3	5%	0.053	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-43.9	176.5	-67.2	162.3	-177.5	-95.2	-2.3	110.7	Y589 E612 S613 T619 E620 N621 Q624	Y589-R616 HydrophobicContact CD1-CB 3.96Å; Y589-R616 WeakPolarHBondContact CE1-O 3.28Å; Y589-R616 WeakPolarHBondContact O-CD 3.3Å; E612-R616 WeakPolarHBondContact O-CD 3.35Å; E612-R616 VanDerWaalsContact O-CG 3.3Å; E612-R616 WeakPolarHBondContact O-CG 3.46Å; E612-R616 PolarHBondContact O-N 2.83Å; E612-R616 VanDerWaalsContact O-N 3.14Å; S613-R616 WeakPolarHBondContact O-CB 3.08Å; S613-R616 PolarHBondContact O-N 3.15Å; R616-T619 PolarHBondContact O-N 3.48Å; R616-E620 PolarHBondContact O-N 3.29Å; R616-N621 WeakPolarHBondContact O-CA 3.48Å; R616-N621 PolarHBondContact O-N 2.83Å; R616-Q624 HydrophobicContact CG-CG 4.19Å
617	I	96.2	Very high	96.7	Very high	40 Å²	40	34.2 Å²	34.2	21%	0.205	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-51.1	177.5	-66.4	164	0	0	0	110.7	W581 Y589 S613 R614 Y615 T619 E620 G715	W581-I617 HydrophobicContact CD2-CD1 3.81Å; W581-I617 HydrophobicContact CD2-CG1 4.49Å; W581-I617 HydrophobicContact CE3-CD1 3.74Å; W581-I617 HydrophobicContact CE3-CG1 3.92Å; W581-I617 HydrophobicContact CH2-CD1 3.77Å; W581-I617 HydrophobicContact CH2-CG1 4.06Å; W581-I617 HydrophobicContact CH2-CG2 4.18Å; W581-I617 HydrophobicContact CZ2-CD1 3.81Å; W581-I617 HydrophobicContact CZ3-CD1 3.72Å; W581-I617 HydrophobicContact CZ3-CG1 3.69Å; W581-I617 HydrophobicContact CZ3-CG2 4.41Å; Y589-I617 HydrophobicContact CD1-CB 4.45Å; Y589-I617 HydrophobicContact CD1-CG1 3.88Å; Y589-I617 HydrophobicContact CG-CG1 3.98Å; S613-I617 WeakPolarHBondContact O-CG1 3.43Å; S613-I617 PolarHBondContact O-N 3.49Å; R614-I617 PolarHBondContact O-N 2.8Å; Y615-I617 VanDerWaalsContact C-N 3.33Å; Y615-I617 PolarHBondContact O-N 2.8Å; I617-T619 PolarHBondContact O-N 3.29Å; I617-T619 VanDerWaalsContact O-N 3.16Å; I617-E620 PolarHBondContact O-N 2.04Å; I617-G715 VanDerWaalsContact CD1-CA 3.46Å
618	L	94.5	Very high	96.6	Very high	91 Å²	91	34.2 Å²	34.2	48%	0.476	18%	0.175	S	C	.	.	H	α-helix	trans	-62.5	-23	-178.5	-74.5	171.4	0	0	0	114.1	R614 Y615 P812	R614-L618 WeakPolarHBondContact O-CB 3.48Å; R614-L618 VanDerWaalsContact O-CG 3.28Å; R614-L618 WeakPolarHBondContact O-CG 3.25Å; R614-L618 PolarHBondContact O-N 3.36Å; Y615-L618 PolarHBondContact O-N 3.48Å; L618-P812 HydrophobicContact CD1-CB 4.23Å; L618-P812 HydrophobicContact CD1-CG 4.22Å
619	T	94.5	Very high	96.5	Very high	10 Å²	10	34.1 Å²	34.1	6%	0.061	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	13.6	-175.2	63.5	0	0	0	0	112.7	Y615 R616 I617 N621 T622 Y623 F816	Y615-T619 WeakPolarHBondContact O-CB 3.49Å; Y615-T619 VanDerWaalsContact O-CG2 3.27Å; Y615-T619 WeakPolarHBondContact O-CG2 3.24Å; Y615-T619 PolarHBondContact O-N 3Å; Y615-T619 VanDerWaalsContact O-N 3.07Å; Y615-T619 PolarHBondContact O-OG1 2.78Å; R616-T619 PolarHBondContact O-N 3.48Å; I617-T619 PolarHBondContact O-N 3.29Å; I617-T619 VanDerWaalsContact O-N 3.16Å; T619-N621 PolarHBondContact O-N 3.43Å; T619-N621 VanDerWaalsContact O-N 3.14Å; T619-T622 WeakPolarHBondContact O-CB 3.21Å; T619-T622 WeakPolarHBondContact O-CG2 3.32Å; T619-T622 PolarHBondContact O-N 3.26Å; T619-T622 PolarHBondContact O-OG1 3.18Å; T619-Y623 PolarHBondContact OG1-N 3.41Å; T619-Y623 PolarHBondContact OG1-O 3.16Å; T619-F816 HydrophobicContact CG2-CE1 3.67Å; T619-F816 HydrophobicContact CG2-CZ 3.82Å
620	E	94.2	Very high	96.3	Very high	162 Å²	162	33.8 Å²	33.8	76%	0.757	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	39.4	-175.5	-60.1	-178.9	-170.3	0	0	112	R616 I617 T622	R616-E620 PolarHBondContact O-N 3.29Å; I617-E620 PolarHBondContact O-N 2.04Å; E620-T622 PolarHBondContact O-N 2.65Å; E620-T622 VanDerWaalsContact O-N 3.16Å
621	N	94.8	Very high	96.1	Very high	32 Å²	32	33.9 Å²	33.9	17%	0.171	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	8.8	-179.3	-146.9	24.4	0	0	0	115.5	I587 N588 Y589 R616 T619 Y623 Q624	I587-N621 HydrophobicContact CG2-CB 4.22Å; N588-N621 PolarHBondContact O-ND2 3.35Å; Y589-N621 HydrophobicContact CD1-CB 4.23Å; Y589-N621 HydrophobicContact CE1-CB 3.85Å; R616-N621 WeakPolarHBondContact O-CA 3.48Å; R616-N621 PolarHBondContact O-N 2.83Å; T619-N621 PolarHBondContact O-N 3.43Å; T619-N621 VanDerWaalsContact O-N 3.14Å; N621-Y623 VanDerWaalsContact C-N 3.34Å; N621-Q624 WeakPolarHBondContact O-CG 3.13Å; N621-Q624 PolarHBondContact O-NE2 3.31Å; N621-Q624 PolarHBondContact OD1-NE2 3Å
622	T	95.4	Very high	95.9	Very high	121 Å²	121	33.7 Å²	33.7	74%	0.742	17%	0.171	S	C	*	.	S	Bend	trans	-72.5	-26.8	178.4	62.3	0	0	0	0	112.9	T619 E620	T619-T622 WeakPolarHBondContact O-CB 3.21Å; T619-T622 WeakPolarHBondContact O-CG2 3.32Å; T619-T622 PolarHBondContact O-N 3.26Å; T619-T622 PolarHBondContact O-OG1 3.18Å; E620-T622 PolarHBondContact O-N 2.65Å; E620-T622 VanDerWaalsContact O-N 3.16Å
623	Y	94.9	Very high	95.6	Very high	70 Å²	70	33.6 Å²	33.6	28%	0.275	17%	0.171	S	C	.	.			trans	-120.9	125	175.1	-169.8	-121.5	0	0	0	111.2	Y615 T619 N621 P625 F687	Y615-Y623 HydrophobicContact CD1-CD1 4.21Å; T619-Y623 PolarHBondContact OG1-N 3.41Å; T619-Y623 PolarHBondContact OG1-O 3.16Å; N621-Y623 VanDerWaalsContact C-N 3.34Å; Y623-P625 VanDerWaalsContact C-CD 3.47Å; Y623-P625 HydrophobicContact CD1-CG 4.04Å; Y623-P625 HydrophobicContact CE1-CB 3.85Å; Y623-P625 HydrophobicContact CE1-CG 3.78Å; Y623-P625 WeakPolarHBondContact O-CD 2.89Å; Y623-F687 AromaticContact CE1-CE1 3.74Å; Y623-F687 HydrophobicContact CE1-CE1 3.74Å; Y623-F687 HydrophobicContact CE1-CZ 4.4Å; Y623-F687 AromaticContact CZ-CE1 3.96Å; Y623-F687 VanDerWaalsContact OH-CE1 3.31Å; Y623-F687 WeakPolarHBondContact OH-CE1 3.4Å; Y623-F687 WeakPolarHBondContact OH-CZ 3.36Å
624	Q	95.7	Very high	95.3	Very high	94 Å²	94	34.3 Å²	34.3	44%	0.439	18%	0.175	S	C	.	.			trans	-127.6	61.8	-168.1	-61.5	-166.2	16.6	0	0	111.3	R616 N621	R616-Q624 HydrophobicContact CG-CG 4.19Å; N621-Q624 WeakPolarHBondContact O-CG 3.13Å; N621-Q624 PolarHBondContact O-NE2 3.31Å; N621-Q624 PolarHBondContact OD1-NE2 3Å
625	P	95.5	Very high	94.8	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.032	19%	0.185	C	C	.	.			trans	-62.5	151.9	-178.5	28.7	-33.6	0	0	0	110.5	E612 Y615 Y623 F627 L662	E612-P625 WeakPolarHBondContact CG-O 3.49Å; Y615-P625 HydrophobicContact CD1-CG 4.36Å; Y615-P625 HydrophobicContact CD2-CG 3.93Å; Y615-P625 HydrophobicContact CG-CG 3.74Å; Y623-P625 VanDerWaalsContact C-CD 3.47Å; Y623-P625 HydrophobicContact CD1-CG 4.04Å; Y623-P625 HydrophobicContact CE1-CB 3.85Å; Y623-P625 HydrophobicContact CE1-CG 3.78Å; Y623-P625 WeakPolarHBondContact O-CD 2.89Å; P625-F627 HydrophobicContact CB-CE1 4.03Å; P625-F627 HydrophobicContact CB-CZ 3.95Å; P625-F627 HydrophobicContact CG-CE1 4.46Å; P625-F627 HydrophobicContact CG-CE2 4.38Å; P625-F627 HydrophobicContact CG-CZ 3.89Å; P625-L662 HydrophobicContact CB-CD2 3.65Å
626	V	97.5	Very high	94.5	Very high	53 Å²	53	36.1 Å²	36.1	32%	0.321	19%	0.188	S	C	.	.			trans	-124	115.7	170	-177	0	0	0	0	106.4	E612 L662 E663	E612-V626 WeakPolarHBondContact OE1-CA 3.28Å; V626-L662 CarbonylContact O-C 3.59Å; V626-L662 VanDerWaalsContact O-CA 3.26Å; V626-L662 WeakPolarHBondContact O-CA 3.5Å; V626-E663 HydrophobicContact CB-CB 4.36Å; V626-E663 HydrophobicContact CG1-CB 3.94Å; V626-E663 PolarHBondContact O-N 2.87Å
627	F	97.5	Very high	94	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-85.5	158.3	-175.3	-65.1	-52.1	0	0	0	111.7	R594 A608 L611 E612 Y615 P625 P629 W660 V661 L662 F687	R594-F627 PolarHBondContact NH1-O 2.74Å; A608-F627 HydrophobicContact CB-CB 4.11Å; L611-F627 HydrophobicContact CB-CD2 4.01Å; L611-F627 HydrophobicContact CB-CE2 3.7Å; E612-F627 HydrophobicContact CG-CD2 3.6Å; E612-F627 HydrophobicContact CG-CE2 4.03Å; E612-F627 HydrophobicContact CG-CG 4.34Å; E612-F627 PolarHBondContact OE1-N 3.18Å; Y615-F627 AromaticContact CD2-CE2 3.81Å; Y615-F627 HydrophobicContact CD2-CE2 3.81Å; Y615-F627 AromaticContact CD2-CZ 3.56Å; Y615-F627 HydrophobicContact CD2-CZ 3.56Å; Y615-F627 HydrophobicContact CE2-CE1 4.5Å; Y615-F627 AromaticContact CE2-CE2 3.99Å; Y615-F627 HydrophobicContact CE2-CE2 3.99Å; Y615-F627 AromaticContact CE2-CZ 3.42Å; Y615-F627 HydrophobicContact CE2-CZ 3.42Å; Y615-F627 VanDerWaalsContact CE2-CZ 3.42Å; P625-F627 HydrophobicContact CB-CE1 4.03Å; P625-F627 HydrophobicContact CB-CZ 3.95Å; P625-F627 HydrophobicContact CG-CE1 4.46Å; P625-F627 HydrophobicContact CG-CE2 4.38Å; P625-F627 HydrophobicContact CG-CZ 3.89Å; F627-P629 WeakPolarHBondContact O-CD 3.35Å; F627-W660 HydrophobicContact CB-CB 4.44Å; F627-W660 HydrophobicContact CB-CD2 4.24Å; F627-W660 HydrophobicContact CB-CE3 3.62Å; F627-W660 HydrophobicContact CB-CZ3 4.14Å; F627-W660 HydrophobicContact CD1-CB 3.74Å; F627-W660 HydrophobicContact CE1-CB 4.25Å; F627-W660 HydrophobicContact CG-CB 4.07Å; F627-W660 HydrophobicContact CG-CD2 4.48Å; F627-W660 HydrophobicContact CG-CE3 4.33Å; F627-W660 HydrophobicContact CG-CG 4.44Å; F627-V661 WeakPolarHBondContact CA-O 3.43Å; F627-L662 HydrophobicContact CD1-CD2 4.04Å; F627-L662 HydrophobicContact CE1-CD2 3.99Å; F627-F687 HydrophobicContact CE1-CB 3.57Å; F627-F687 HydrophobicContact CE1-CD1 4.24Å; F627-F687 AromaticContact CE1-CD2 3.81Å; F627-F687 HydrophobicContact CE1-CD2 3.81Å; F627-F687 AromaticContact CE1-CG 3.6Å; F627-F687 HydrophobicContact CE1-CG 3.6Å; F627-F687 HydrophobicContact CZ-CB 3.97Å; F627-F687 HydrophobicContact CZ-CG 4.19Å
628	S	97	Very high	93.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.			trans	-94.7	108.2	178.8	175.4	0	0	0	0	112.4	Q630 D631 W660 V661 E663 S666	S628-Q630 PolarHBondContact O-N 3.08Å; S628-Q630 WeakPolarHBondContact OG-CB 3.24Å; S628-Q630 PolarHBondContact OG-N 3.16Å; S628-Q630 VanDerWaalsContact OG-N 3.13Å; S628-D631 PolarHBondContact OG-N 3.19Å; S628-D631 VanDerWaalsContact OG-N 3.11Å; S628-W660 WeakPolarHBondContact O-CZ3 3.19Å; S628-V661 PolarHBondContact N-O 3.01Å; S628-E663 WeakPolarHBondContact CA-OE2 3.49Å; S628-S666 WeakPolarHBondContact CB-O 3.38Å; S628-S666 WeakPolarHBondContact OG-CB 3.29Å; S628-S666 PolarHBondContact OG-O 3.41Å
629	P	96.4	Very high	93.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.1	-20.3	163.9	-22.8	35.1	0	0	0	113	A604 F605 F627 I632 V633 Y668	A604-P629 HydrophobicContact CB-CB 3.95Å; F605-P629 HydrophobicContact CD1-CG 4.01Å; F605-P629 HydrophobicContact CD2-CB 3.96Å; F605-P629 HydrophobicContact CD2-CG 3.98Å; F605-P629 HydrophobicContact CE1-CG 3.88Å; F605-P629 HydrophobicContact CE2-CB 3.72Å; F605-P629 HydrophobicContact CE2-CG 3.82Å; F605-P629 HydrophobicContact CG-CG 4.07Å; F605-P629 HydrophobicContact CZ-CB 4.1Å; F605-P629 HydrophobicContact CZ-CG 3.78Å; F627-P629 WeakPolarHBondContact O-CD 3.35Å; P629-I632 WeakPolarHBondContact O-CB 3.4Å; P629-I632 PolarHBondContact O-N 3.19Å; P629-V633 VanDerWaalsContact O-CG2 3.3Å; P629-V633 WeakPolarHBondContact O-CG2 3.5Å; P629-V633 PolarHBondContact O-N 2.81Å; P629-Y668 HydrophobicContact CB-CD2 4.07Å; P629-Y668 HydrophobicContact CB-CE2 4.23Å
630	Q	94.9	Very high	92.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.9	-43	-178.5	-167.8	63.2	48.1	0	0	111.8	S628 I632 V633 D634 S666 Y668 K671	S628-Q630 PolarHBondContact O-N 3.08Å; S628-Q630 WeakPolarHBondContact OG-CB 3.24Å; S628-Q630 PolarHBondContact OG-N 3.16Å; S628-Q630 VanDerWaalsContact OG-N 3.13Å; Q630-I632 PolarHBondContact O-N 3.47Å; Q630-V633 PolarHBondContact O-N 3.26Å; Q630-V633 VanDerWaalsContact O-N 3.11Å; Q630-D634 VanDerWaalsContact NE2-CG 3.28Å; Q630-D634 PolarHBondContact NE2-OD1 2.92Å; Q630-D634 VanDerWaalsContact NE2-OD1 3.17Å; Q630-D634 PolarHBondContact NE2-OD2 2.71Å; Q630-D634 PolarHBondContact O-N 2.89Å; Q630-S666 WeakPolarHBondContact CB-O 3.37Å; Q630-S666 WeakPolarHBondContact CG-OG 3.27Å; Q630-Y668 HydrophobicContact CB-CD2 4.24Å; Q630-K671 PolarHBondContact NE2-O 2.9Å
631	D	93.7	Very high	92.2	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.011	14%	0.143	C	C	.	.	H	α-helix	trans	-55.2	-41.8	172.8	177.2	73	0	0	0	110.9	S628 C635 Y654 V661 V680 R686	S628-D631 PolarHBondContact OG-N 3.19Å; S628-D631 VanDerWaalsContact OG-N 3.11Å; D631-C635 WeakPolarHBondContact O-CA 3.4Å; D631-C635 WeakPolarHBondContact O-CB 3.23Å; D631-C635 PolarHBondContact O-N 3.28Å; D631-Y654 PolarHBondContact OD2-OH 3.29Å; D631-V661 HydrophobicContact CB-CG2 3.55Å; D631-V680 VanDerWaalsContact OD1-CG2 3.24Å; D631-V680 WeakPolarHBondContact OD1-CG2 3.37Å; D631-R686 IonicContact OD1-NH2 3.95Å; D631-R686 IonicContact OD2-NH1 2.9Å; D631-R686 PolarHBondContact OD2-NH1 3.14Å
632	I	94.4	Very high	91.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-48.5	175.4	-54.8	-52.6	0	0	0	111.7	Y603 A604 P629 Q630 D634 C635 S636 I650 Y654 W660	Y603-I632 HydrophobicContact CE2-CG2 3.79Å; A604-I632 HydrophobicContact CB-CB 4.13Å; A604-I632 HydrophobicContact CB-CG1 4.41Å; A604-I632 HydrophobicContact CB-CG2 4Å; P629-I632 WeakPolarHBondContact O-CB 3.4Å; P629-I632 PolarHBondContact O-N 3.19Å; Q630-I632 PolarHBondContact O-N 3.47Å; I632-D634 VanDerWaalsContact C-N 3.26Å; I632-D634 PolarHBondContact O-N 3.3Å; I632-C635 PolarHBondContact O-N 2.88Å; I632-S636 WeakPolarHBondContact O-CB 3.37Å; I632-S636 PolarHBondContact O-N 3.37Å; I632-I650 HydrophobicContact CD1-CG2 4.33Å; I632-I650 HydrophobicContact CG1-CG2 4.21Å; I632-I650 HydrophobicContact CG2-CD1 3.95Å; I632-I650 HydrophobicContact CG2-CG1 4.3Å; I632-I650 HydrophobicContact CG2-CG2 3.73Å; I632-Y654 HydrophobicContact CD1-CD1 3.3Å; I632-Y654 HydrophobicContact CD1-CE1 3.06Å; I632-Y654 HydrophobicContact CD1-CE2 4.47Å; I632-Y654 HydrophobicContact CD1-CG 4.12Å; I632-W660 HydrophobicContact CD1-CD2 3.97Å; I632-W660 HydrophobicContact CD1-CE3 3.91Å; I632-W660 HydrophobicContact CD1-CH2 4Å; I632-W660 HydrophobicContact CD1-CZ2 4Å; I632-W660 HydrophobicContact CD1-CZ3 3.94Å; I632-W660 HydrophobicContact CG1-CD2 4.32Å; I632-W660 HydrophobicContact CG1-CE3 3.81Å; I632-W660 HydrophobicContact CG1-CH2 3.43Å; I632-W660 VanDerWaalsContact CG1-CH2 3.43Å; I632-W660 HydrophobicContact CG1-CZ2 3.92Å; I632-W660 HydrophobicContact CG1-CZ3 3.35Å
633	V	92.1	Very high	91	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-62	-38.1	-175	162.5	0	0	0	0	111.4	P629 Q630 G641 K672	P629-V633 VanDerWaalsContact O-CG2 3.3Å; P629-V633 WeakPolarHBondContact O-CG2 3.5Å; P629-V633 PolarHBondContact O-N 2.81Å; Q630-V633 PolarHBondContact O-N 3.26Å; Q630-V633 VanDerWaalsContact O-N 3.11Å; V633-G641 WeakPolarHBondContact O-CA 3.32Å; V633-K672 HydrophobicContact CG1-CB 4.06Å; V633-K672 HydrophobicContact CG1-CG 4.29Å
634	D	90.8	Very high	90.4	Very high	15 Å²	15	18.7 Å²	18.7	8%	0.08	11%	0.109	C	C	.	.	H	α-helix	trans	-84.1	-38.8	-178.4	-65.8	-26.8	0	0	0	111.6	Q630 I632 K672 Q673 C678	Q630-D634 VanDerWaalsContact NE2-CG 3.28Å; Q630-D634 PolarHBondContact NE2-OD1 2.92Å; Q630-D634 VanDerWaalsContact NE2-OD1 3.17Å; Q630-D634 PolarHBondContact NE2-OD2 2.71Å; Q630-D634 PolarHBondContact O-N 2.89Å; I632-D634 VanDerWaalsContact C-N 3.26Å; I632-D634 PolarHBondContact O-N 3.3Å; D634-K672 WeakPolarHBondContact OD1-CA 3.47Å; D634-Q673 PolarHBondContact OD1-N 2.9Å; D634-C678 PolarHBondContact O-SG 3.03Å
635	C	88.3	Confident	90	Very high	35 Å²	35	15.1 Å²	15.1	24%	0.236	10%	0.097	C	C	.	.	H	α-helix	trans	-123	-8.5	-160.3	-54.1	0	0	0	0	117.5	D631 I632 P637 C678	D631-C635 WeakPolarHBondContact O-CA 3.4Å; D631-C635 WeakPolarHBondContact O-CB 3.23Å; D631-C635 PolarHBondContact O-N 3.28Å; I632-C635 PolarHBondContact O-N 2.88Å; C635-P637 VanDerWaalsContact O-CD 3.31Å; C635-P637 WeakPolarHBondContact O-CD 3.48Å; C635-C678 WeakPolarHBondContact CA-SG 3.2Å; C635-C678 HydrophobicContact CB-CB 3.95Å; C635-C678 WeakPolarHBondContact CB-SG 3.4Å; C635-C678 WeakPolarHBondContact SG-CA 3.32Å; C635-C678 WeakPolarHBondContact SG-CB 3.28Å; C635-C678 CovalentContact SG-SG 2.06Å; C635-C678 PolarHBondContact SG-SG 3.14Å
636	S	89.8	Confident	89.7	Confident	11 Å²	11	16.3 Å²	16.3	8%	0.077	10%	0.102	C	C	.	.			trans	-71.1	122.8	179.6	-170.8	0	0	0	0	111.6	I632 Y638 I650 Y654	I632-S636 WeakPolarHBondContact O-CB 3.37Å; I632-S636 PolarHBondContact O-N 3.37Å; S636-Y638 PolarHBondContact O-N 2.74Å; S636-Y638 PolarHBondContact OG-N 2.84Å; S636-I650 WeakPolarHBondContact OG-CD1 3.42Å; S636-Y654 VanDerWaalsContact OG-CD2 3.25Å; S636-Y654 WeakPolarHBondContact OG-CD2 3.41Å
637	P	85	Confident	89.6	Confident	49 Å²	49	14.8 Å²	14.8	32%	0.318	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-6.1	171.2	31.5	-35	0	0	0	112.5	C635 Y658	C635-P637 VanDerWaalsContact O-CD 3.31Å; C635-P637 WeakPolarHBondContact O-CD 3.48Å; P637-Y658 HydrophobicContact CG-CE2 3.72Å
638	Y	87.9	Confident	89.4	Confident	1 Å²	1	15.2 Å²	15.2	0%	0.004	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	4.1	-176.5	-53.8	-38.1	0	0	0	113.8	F429 S636 K653 Y654 D657 Y658	F429-Y638 HydrophobicContact CD1-CE1 4.24Å; F429-Y638 HydrophobicContact CE1-CD1 4.02Å; F429-Y638 AromaticContact CE1-CE1 3.99Å; F429-Y638 HydrophobicContact CE1-CE1 3.99Å; S636-Y638 PolarHBondContact O-N 2.74Å; S636-Y638 PolarHBondContact OG-N 2.84Å; Y638-K653 HydrophobicContact CD2-CB 4.37Å; Y638-K653 HydrophobicContact CD2-CD 4.42Å; Y638-K653 HydrophobicContact CD2-CG 4.21Å; Y638-K653 HydrophobicContact CE1-CD 4.44Å; Y638-K653 HydrophobicContact CE2-CB 4.22Å; Y638-K653 HydrophobicContact CE2-CD 3.9Å; Y638-K653 HydrophobicContact CE2-CG 3.61Å; Y638-K653 VanDerWaalsContact OH-CE 3.28Å; Y638-K653 WeakPolarHBondContact OH-CE 3.37Å; Y638-Y654 HydrophobicContact CD2-CD2 4.47Å; Y638-D657 HydrophobicContact CE2-CB 4.49Å; Y638-D657 PolarHBondContact OH-OD2 2.92Å; Y638-Y658 HydrophobicContact CD2-CE2 4.49Å; Y638-Y658 HydrophobicContact CE2-CD2 4.12Å; Y638-Y658 AromaticContact CE2-CE2 3.69Å; Y638-Y658 HydrophobicContact CE2-CE2 3.69Å; Y638-Y658 AromaticContact CZ-CE2 3.8Å
639	S	86.9	Confident	89.2	Confident	12 Å²	12	15.2 Å²	15.2	8%	0.084	10%	0.095	C	C	.	.	S	Bend	trans	-136.9	179.7	175.2	74.6	0	0	0	0	112	Y603	Y603-S639 WeakPolarHBondContact OH-CB 3.39Å; Y603-S639 PolarHBondContact OH-OG 2.72Å; Y603-S639 VanDerWaalsContact OH-OG 3.05Å
640	Q	80.2	Confident	89.2	Confident	36 Å²	36	15.2 Å²	15.2	17%	0.168	10%	0.095	C	C	.	.			trans	-121.6	36.3	177.5	-64.5	72.1	43.3	0	0	111.3	T347 A349 C642 D643 G644	T347-Q640 VanDerWaalsContact O-CG 3.31Å; T347-Q640 WeakPolarHBondContact O-CG 3.47Å; T347-Q640 PolarHBondContact O-NE2 3.08Å; A349-Q640 VanDerWaalsContact CA-OE1 3.31Å; Q640-C642 PolarHBondContact O-N 2.92Å; Q640-C642 VanDerWaalsContact O-N 3.07Å; Q640-D643 HydrophobicContact CB-CB 4.06Å; Q640-D643 PolarHBondContact O-N 2.82Å; Q640-D643 VanDerWaalsContact O-N 3.1Å; Q640-G644 PolarHBondContact N-O 2.59Å; Q640-G644 PolarHBondContact OE1-O 2.98Å
641	G	87.1	Confident	89.3	Confident	2 Å²	2	15.2 Å²	15.2	2%	0.021	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	57.7	-117.2	-179.9	0	0	0	0	0	111.8	Y603 V633 D643	Y603-G641 WeakPolarHBondContact CE1-O 3.36Å; Y603-G641 WeakPolarHBondContact OH-CA 3.35Å; Y603-G641 PolarHBondContact OH-O 3.23Å; V633-G641 WeakPolarHBondContact O-CA 3.32Å; G641-D643 VanDerWaalsContact C-N 3.3Å; G641-D643 PolarHBondContact O-N 2.74Å
642	C	87.2	Confident	89.4	Confident	15 Å²	15	15.1 Å²	15.1	10%	0.101	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-80.2	-4.1	-177.1	-65.7	0	0	0	0	115.7	C599 G600 Q640 K672	C599-C642 HydrophobicContact CB-CB 3.92Å; C599-C642 WeakPolarHBondContact CB-SG 3.01Å; C599-C642 WeakPolarHBondContact SG-CA 3.43Å; C599-C642 WeakPolarHBondContact SG-CB 3.36Å; C599-C642 CovalentContact SG-SG 2.04Å; C599-C642 PolarHBondContact SG-SG 3.43Å; G600-C642 WeakPolarHBondContact CA-O 3.29Å; G600-C642 PolarHBondContact N-O 3.14Å; Q640-C642 PolarHBondContact O-N 2.92Å; Q640-C642 VanDerWaalsContact O-N 3.07Å; C642-K672 PolarHBondContact SG-N 2.91Å
643	D	78.9	Confident	89.4	Confident	48 Å²	48	15.1 Å²	15.1	26%	0.257	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	-91.4	-9.4	178.4	-87.7	5.6	0	0	0	113.2	R546 K552 Q640 G641	R546-D643 IonicContact CZ-OD1 3.77Å; R546-D643 IonicContact NE-OD1 3.44Å; R546-D643 IonicContact NH2-OD1 3.49Å; R546-D643 PolarHBondContact NH2-OD1 3.47Å; K552-D643 IonicContact NZ-OD2 2.89Å; K552-D643 PolarHBondContact NZ-OD2 2.87Å; Q640-D643 HydrophobicContact CB-CB 4.06Å; Q640-D643 PolarHBondContact O-N 2.82Å; Q640-D643 VanDerWaalsContact O-N 3.1Å; G641-D643 VanDerWaalsContact C-N 3.3Å; G641-D643 PolarHBondContact O-N 2.74Å
644	G	82.7	Confident	89.5	Confident	12 Å²	12	15.2 Å²	15.2	12%	0.124	10%	0.095	C	C	.	.			trans	134.2	178	174.8	0	0	0	0	0	114.4	Y603 Q640	Y603-G644 WeakPolarHBondContact CE1-O 3.06Å; Q640-G644 PolarHBondContact N-O 2.59Å; Q640-G644 PolarHBondContact OE1-O 2.98Å
645	G	87	Confident	89.7	Confident	18 Å²	18	14.5 Å²	14.5	19%	0.186	9%	0.091	C	C	.	.			trans	174.8	171.3	-178.5	0	0	0	0	0	111.4	Y603	Y603-G645 VanDerWaalsContact CB-O 3.3Å; Y603-G645 WeakPolarHBondContact CB-O 3.46Å; Y603-G645 VanDerWaalsContact CD1-N 3.29Å
646	F	89.6	Confident	90	Very high	30 Å²	30	13.6 Å²	13.6	13%	0.132	8%	0.083	C	C	.	.			trans	-114.2	131	-178.9	-60.3	-65.1	0	0	0	111.4	A349 I414 V415 Q417 Y648 L649 I650	A349-F646 HydrophobicContact CB-CD2 3.94Å; A349-F646 HydrophobicContact CB-CE2 3.58Å; A349-F646 HydrophobicContact CB-CZ 4.3Å; A349-F646 VanDerWaalsContact O-CE2 3.23Å; A349-F646 WeakPolarHBondContact O-CE2 3.22Å; I414-F646 HydrophobicContact CG2-CD2 4.45Å; V415-F646 HydrophobicContact CB-CE1 4.29Å; V415-F646 HydrophobicContact CB-CZ 4.48Å; V415-F646 HydrophobicContact CG1-CE1 4.5Å; V415-F646 HydrophobicContact CG2-CD1 3.64Å; V415-F646 HydrophobicContact CG2-CE1 3.66Å; V415-F646 HydrophobicContact CG2-CG 4.21Å; V415-F646 HydrophobicContact CG2-CZ 4.22Å; Q417-F646 HydrophobicContact CG-CE2 3.92Å; Q417-F646 HydrophobicContact CG-CZ 3.9Å; F646-Y648 PolarHBondContact O-N 2.76Å; F646-L649 HydrophobicContact CB-CB 4.45Å; F646-L649 HydrophobicContact CB-CD1 4.44Å; F646-L649 HydrophobicContact CB-CG 4.39Å; F646-L649 HydrophobicContact CD2-CD1 4Å; F646-L649 PolarHBondContact O-N 3.3Å; F646-I650 PolarHBondContact O-N 3.21Å
647	P	93.5	Very high	90.1	Very high	22 Å²	22	13.1 Å²	13.1	14%	0.143	8%	0.08	C	C	.	.	H	α-helix	trans	-54.6	-37.7	177.2	-29.6	36.6	0	0	0	114.1	S607 L649 I650 G651 V718 A759 F808	S607-P647 WeakPolarHBondContact OG-CA 3.01Å; S607-P647 PolarHBondContact OG-O 3.43Å; P647-L649 VanDerWaalsContact C-N 3.29Å; P647-L649 PolarHBondContact O-N 2.79Å; P647-I650 PolarHBondContact O-N 2.89Å; P647-I650 VanDerWaalsContact O-N 3.1Å; P647-G651 PolarHBondContact O-N 3Å; P647-V718 HydrophobicContact CB-CB 4.06Å; P647-V718 HydrophobicContact CB-CG1 3.48Å; P647-V718 VanDerWaalsContact CB-CG1 3.48Å; P647-V718 HydrophobicContact CG-CG1 3.48Å; P647-V718 VanDerWaalsContact CG-CG1 3.48Å; P647-A759 HydrophobicContact CG-CB 3.72Å; P647-F808 HydrophobicContact CB-CD1 4.03Å; P647-F808 HydrophobicContact CB-CG 4.45Å; P647-F808 WeakPolarHBondContact O-CE1 3.39Å
648	Y	93.9	Very high	90.4	Very high	10 Å²	10	11.7 Å²	11.7	4%	0.039	7%	0.068	C	C	.	.	I	π-helix	trans	-55	-45	175.9	-178	-85	0	0	0	112.5	T412 I414 E420 F646 I650 G652 K653 Y692 Y694 F808	T412-Y648 HydrophobicContact CG2-CE2 4.29Å; T412-Y648 WeakPolarHBondContact CG2-OH 3.25Å; I414-Y648 HydrophobicContact CD1-CD1 4.18Å; I414-Y648 HydrophobicContact CD1-CE1 3.87Å; I414-Y648 HydrophobicContact CG1-CD1 3.89Å; I414-Y648 HydrophobicContact CG1-CE1 3.75Å; I414-Y648 HydrophobicContact CG2-CD1 4.46Å; E420-Y648 PolarHBondContact OE2-OH 2.85Å; E420-Y648 VanDerWaalsContact OE2-OH 3.09Å; F646-Y648 PolarHBondContact O-N 2.76Å; Y648-I650 VanDerWaalsContact C-N 3.33Å; Y648-I650 PolarHBondContact O-N 2.87Å; Y648-G652 WeakPolarHBondContact O-CA 3.46Å; Y648-G652 PolarHBondContact O-N 3.31Å; Y648-K653 PolarHBondContact O-N 2.77Å; Y648-K653 VanDerWaalsContact O-N 3.16Å; Y648-Y692 HydrophobicContact CD2-CD2 4.48Å; Y648-Y692 HydrophobicContact CE1-CD2 4.22Å; Y648-Y692 AromaticContact CE1-CE2 3.79Å; Y648-Y692 HydrophobicContact CE1-CE2 3.79Å; Y648-Y692 AromaticContact CE2-CD2 3.95Å; Y648-Y692 HydrophobicContact CE2-CD2 3.95Å; Y648-Y692 HydrophobicContact CE2-CE2 4.22Å; Y648-Y692 AromaticContact CZ-CD2 3.81Å; Y648-Y692 AromaticContact CZ-CE2 3.59Å; Y648-Y694 HydrophobicContact CD2-CD1 4.47Å; Y648-Y694 AromaticContact CD2-CD2 3.75Å; Y648-Y694 HydrophobicContact CD2-CD2 3.75Å; Y648-Y694 HydrophobicContact CD2-CE1 4.25Å; Y648-Y694 AromaticContact CD2-CE2 3.46Å; Y648-Y694 HydrophobicContact CD2-CE2 3.46Å; Y648-Y694 VanDerWaalsContact CD2-CE2 3.46Å; Y648-Y694 HydrophobicContact CD2-CG 4.25Å; Y648-Y694 AromaticContact CD2-CZ 3.76Å; Y648-Y694 AromaticContact CE2-CD2 3.82Å; Y648-Y694 HydrophobicContact CE2-CD2 3.82Å; Y648-Y694 AromaticContact CE2-CE2 3.78Å; Y648-Y694 HydrophobicContact CE2-CE2 3.78Å; Y648-Y694 AromaticContact CG-CE2 3.96Å; Y648-Y694 HydrophobicContact CG-CE2 3.96Å; Y648-Y694 AromaticContact CG-CZ 3.94Å; Y648-F808 AromaticContact CD2-CD2 3.76Å; Y648-F808 HydrophobicContact CD2-CD2 3.76Å; Y648-F808 AromaticContact CD2-CE2 3.97Å; Y648-F808 HydrophobicContact CD2-CE2 3.97Å; Y648-F808 HydrophobicContact CG-CD2 4.26Å; Y648-F808 HydrophobicContact CG-CE2 4.34Å
649	L	93.7	Very high	90.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-73.8	-23.9	-180	-72.9	-178.1	0	0	0	113.2	I414 F429 F431 F646 P647 K653 Y654	I414-L649 HydrophobicContact CD1-CD2 3.89Å; I414-L649 HydrophobicContact CG2-CD1 4.19Å; I414-L649 HydrophobicContact CG2-CD2 4.27Å; I414-L649 HydrophobicContact CG2-CG 4.02Å; F429-L649 HydrophobicContact CE1-CD2 4.49Å; F429-L649 HydrophobicContact CE2-CD2 3.89Å; F429-L649 HydrophobicContact CZ-CD1 4.4Å; F429-L649 HydrophobicContact CZ-CD2 3.84Å; F431-L649 HydrophobicContact CZ-CD1 4.4Å; F646-L649 HydrophobicContact CB-CB 4.45Å; F646-L649 HydrophobicContact CB-CD1 4.44Å; F646-L649 HydrophobicContact CB-CG 4.39Å; F646-L649 HydrophobicContact CD2-CD1 4Å; F646-L649 PolarHBondContact O-N 3.3Å; P647-L649 VanDerWaalsContact C-N 3.29Å; P647-L649 PolarHBondContact O-N 2.79Å; L649-K653 HydrophobicContact CD2-CB 4.34Å; L649-K653 HydrophobicContact CD2-CD 4.13Å; L649-Y654 WeakPolarHBondContact O-CB 3.42Å; L649-Y654 PolarHBondContact O-N 3.03Å
650	I	95.9	Very high	91.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-105.6	-51.2	-169.2	-64.5	-52.9	0	0	0	112.4	Y603 I632 S636 F646 P647 Y648 G652 A655 W660	Y603-I650 HydrophobicContact CD2-CB 4.22Å; Y603-I650 HydrophobicContact CD2-CG1 3.68Å; Y603-I650 HydrophobicContact CD2-CG2 4.26Å; Y603-I650 HydrophobicContact CE2-CD1 4.47Å; Y603-I650 HydrophobicContact CE2-CG1 3.83Å; Y603-I650 HydrophobicContact CE2-CG2 4.49Å; I632-I650 HydrophobicContact CD1-CG2 4.33Å; I632-I650 HydrophobicContact CG1-CG2 4.21Å; I632-I650 HydrophobicContact CG2-CD1 3.95Å; I632-I650 HydrophobicContact CG2-CG1 4.3Å; I632-I650 HydrophobicContact CG2-CG2 3.73Å; S636-I650 WeakPolarHBondContact OG-CD1 3.42Å; F646-I650 PolarHBondContact O-N 3.21Å; P647-I650 PolarHBondContact O-N 2.89Å; P647-I650 VanDerWaalsContact O-N 3.1Å; Y648-I650 VanDerWaalsContact C-N 3.33Å; Y648-I650 PolarHBondContact O-N 2.87Å; I650-G652 VanDerWaalsContact C-N 3.27Å; I650-G652 PolarHBondContact O-N 2.86Å; I650-A655 PolarHBondContact O-N 3.42Å; I650-W660 HydrophobicContact CG2-CH2 4.02Å; I650-W660 HydrophobicContact CG2-CZ2 3.56Å; I650-W660 PolarHBondContact O-NE1 2.79Å
651	G	96.4	Very high	91.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-74.4	-19.2	173.4	0	0	0	0	0	113.3	S607 P647 A655 A810	S607-G651 WeakPolarHBondContact OG-CA 3.32Å; S607-G651 PolarHBondContact OG-N 2.82Å; S607-G651 VanDerWaalsContact OG-N 3.11Å; P647-G651 PolarHBondContact O-N 3Å; G651-A655 VanDerWaalsContact O-CB 3.31Å; G651-A655 WeakPolarHBondContact O-CB 3.32Å; G651-A810 WeakPolarHBondContact O-CB 3.05Å
652	G	95.7	Very high	92.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-107.3	-81.9	179.3	0	0	0	0	0	111.2	Y648 I650 Y654 A655 E656 Y692 F808	Y648-G652 WeakPolarHBondContact O-CA 3.46Å; Y648-G652 PolarHBondContact O-N 3.31Å; I650-G652 VanDerWaalsContact C-N 3.27Å; I650-G652 PolarHBondContact O-N 2.86Å; G652-Y654 PolarHBondContact O-N 3.1Å; G652-A655 WeakPolarHBondContact O-CB 3.21Å; G652-A655 PolarHBondContact O-N 2.8Å; G652-E656 PolarHBondContact O-N 2.92Å; G652-Y692 VanDerWaalsContact CA-CB 3.47Å; G652-F808 VanDerWaalsContact N-CZ 3.26Å
653	K	94	Very high	92.7	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-61.2	-48.8	-170.5	-167.5	173	178	39.5	0	114.3	E420 F429 H455 Y638 Y648 L649 A655 E656 D657 Y692	E420-K653 IonicContact OE1-NZ 3.15Å; F429-K653 HydrophobicContact CB-CD 4.28Å; F429-K653 HydrophobicContact CD1-CD 3.99Å; F429-K653 VanDerWaalsContact CD1-CE 3.43Å; F429-K653 HydrophobicContact CG-CD 3.98Å; H455-K653 PolarHBondContact NE2-NZ 2.57Å; H455-K653 VanDerWaalsContact NE2-NZ 3.18Å; Y638-K653 HydrophobicContact CD2-CB 4.37Å; Y638-K653 HydrophobicContact CD2-CD 4.42Å; Y638-K653 HydrophobicContact CD2-CG 4.21Å; Y638-K653 HydrophobicContact CE1-CD 4.44Å; Y638-K653 HydrophobicContact CE2-CB 4.22Å; Y638-K653 HydrophobicContact CE2-CD 3.9Å; Y638-K653 HydrophobicContact CE2-CG 3.61Å; Y638-K653 VanDerWaalsContact OH-CE 3.28Å; Y638-K653 WeakPolarHBondContact OH-CE 3.37Å; Y648-K653 PolarHBondContact O-N 2.77Å; Y648-K653 VanDerWaalsContact O-N 3.16Å; L649-K653 HydrophobicContact CD2-CB 4.34Å; L649-K653 HydrophobicContact CD2-CD 4.13Å; K653-A655 VanDerWaalsContact C-N 3.33Å; K653-A655 PolarHBondContact O-N 3.22Å; K653-E656 PolarHBondContact O-N 2.94Å; K653-D657 WeakPolarHBondContact CE-OD2 3.23Å; K653-D657 WeakPolarHBondContact CG-OD2 3.18Å; K653-D657 IonicContact NZ-OD2 2.71Å; K653-D657 PolarHBondContact NZ-OD2 3.18Å; K653-D657 WeakPolarHBondContact O-CB 3.24Å; K653-D657 PolarHBondContact O-N 2.69Å; K653-Y692 HydrophobicContact CB-CE2 4.39Å
654	Y	94.5	Very high	93.5	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.016	9%	0.089	C	C	.	.	I	π-helix	trans	-64	-41.3	176.6	-177.8	-89.6	0	0	0	111.3	D631 I632 S636 Y638 L649 G652 E656 D657 Y658 G659	D631-Y654 PolarHBondContact OD2-OH 3.29Å; I632-Y654 HydrophobicContact CD1-CD1 3.3Å; I632-Y654 HydrophobicContact CD1-CE1 3.06Å; I632-Y654 HydrophobicContact CD1-CE2 4.47Å; I632-Y654 HydrophobicContact CD1-CG 4.12Å; S636-Y654 VanDerWaalsContact OG-CD2 3.25Å; S636-Y654 WeakPolarHBondContact OG-CD2 3.41Å; Y638-Y654 HydrophobicContact CD2-CD2 4.47Å; L649-Y654 WeakPolarHBondContact O-CB 3.42Å; L649-Y654 PolarHBondContact O-N 3.03Å; G652-Y654 PolarHBondContact O-N 3.1Å; Y654-E656 VanDerWaalsContact C-N 3.25Å; Y654-E656 PolarHBondContact O-N 2.95Å; Y654-D657 PolarHBondContact O-N 2.96Å; Y654-Y658 AromaticContact CD2-CD2 3.48Å; Y654-Y658 HydrophobicContact CD2-CD2 3.48Å; Y654-Y658 VanDerWaalsContact CD2-CD2 3.48Å; Y654-Y658 HydrophobicContact CD2-CE2 4.38Å; Y654-Y658 AromaticContact CD2-CG 3.95Å; Y654-Y658 HydrophobicContact CD2-CG 3.95Å; Y654-Y658 AromaticContact CE2-CD2 3.79Å; Y654-Y658 HydrophobicContact CE2-CD2 3.79Å; Y654-Y658 AromaticContact CE2-CG 3.79Å; Y654-Y658 HydrophobicContact CE2-CG 3.79Å; Y654-Y658 HydrophobicContact CG-CD2 4.24Å; Y654-Y658 WeakPolarHBondContact O-CA 3.46Å; Y654-Y658 PolarHBondContact O-N 3.01Å; Y654-G659 WeakPolarHBondContact CE1-O 3.32Å; Y654-G659 PolarHBondContact O-N 3.35Å
655	A	96	Very high	94	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.5	-34.1	176.6	0	0	0	0	0	112.1	L611 I650 G651 G652 K653 G659 Y688 A689	L611-A655 HydrophobicContact CD1-CB 4.16Å; I650-A655 PolarHBondContact O-N 3.42Å; G651-A655 VanDerWaalsContact O-CB 3.31Å; G651-A655 WeakPolarHBondContact O-CB 3.32Å; G652-A655 WeakPolarHBondContact O-CB 3.21Å; G652-A655 PolarHBondContact O-N 2.8Å; K653-A655 VanDerWaalsContact C-N 3.33Å; K653-A655 PolarHBondContact O-N 3.22Å; A655-G659 WeakPolarHBondContact O-CA 2.98Å; A655-Y688 WeakPolarHBondContact O-CA 3.43Å; A655-Y688 VanDerWaalsContact O-CD1 3.29Å; A655-Y688 WeakPolarHBondContact O-CD1 3.32Å; A655-A689 HydrophobicContact CB-CB 3.61Å; A655-A689 PolarHBondContact O-N 3.08Å; A655-A689 VanDerWaalsContact O-N 3.12Å
656	E	94.1	Very high	94.2	Very high	16 Å²	16	18 Å²	18	8%	0.075	9%	0.09	C	C	.	.	H	α-helix	trans	-76.5	-45.7	173.9	-169.6	-177.4	76.6	0	0	112.5	K427 H455 G652 K653 Y654 Y688 A689 Y692	K427-E656 WeakPolarHBondContact CE-OE1 3.34Å; K427-E656 IonicContact NZ-OE1 2.89Å; K427-E656 PolarHBondContact NZ-OE1 2.76Å; K427-E656 IonicContact NZ-OE2 3.17Å; K427-E656 PolarHBondContact NZ-OE2 2.9Å; H455-E656 IonicContact CE1-OE1 3.57Å; G652-E656 PolarHBondContact O-N 2.92Å; K653-E656 PolarHBondContact O-N 2.94Å; Y654-E656 VanDerWaalsContact C-N 3.25Å; Y654-E656 PolarHBondContact O-N 2.95Å; E656-Y688 WeakPolarHBondContact O-CD1 3.42Å; E656-A689 VanDerWaalsContact CA-O 3.26Å; E656-A689 WeakPolarHBondContact CA-O 3.34Å; E656-A689 VanDerWaalsContact CB-O 3.29Å; E656-A689 WeakPolarHBondContact CB-O 3.32Å; E656-Y692 HydrophobicContact CB-CD1 4.48Å; E656-Y692 HydrophobicContact CB-CE1 4.09Å
657	D	92.8	Very high	94.4	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-82.3	-40.9	-169.6	-71.3	-22.5	0	0	0	114.1	K375 H455 S459 W462 Y638 K653 Y654	K375-D657 PolarHBondContact NZ-O 2.81Å; H455-D657 IonicContact CE1-OD1 3.94Å; H455-D657 PolarHBondContact CE1-OD1 3.21Å; H455-D657 IonicContact NE2-OD1 2.58Å; H455-D657 PolarHBondContact NE2-OD1 3.16Å; H455-D657 VanDerWaalsContact NE2-OD1 3.15Å; H455-D657 IonicContact NE2-OD2 3.41Å; S459-D657 WeakPolarHBondContact OG-CA 3.21Å; S459-D657 PolarHBondContact OG-OD1 3.49Å; W462-D657 HydrophobicContact CH2-CB 4Å; W462-D657 HydrophobicContact CZ2-CB 4.1Å; Y638-D657 HydrophobicContact CE2-CB 4.49Å; Y638-D657 PolarHBondContact OH-OD2 2.92Å; K653-D657 WeakPolarHBondContact CE-OD2 3.23Å; K653-D657 WeakPolarHBondContact CG-OD2 3.18Å; K653-D657 IonicContact NZ-OD2 2.71Å; K653-D657 PolarHBondContact NZ-OD2 3.18Å; K653-D657 WeakPolarHBondContact O-CB 3.24Å; K653-D657 PolarHBondContact O-N 2.69Å; Y654-D657 PolarHBondContact O-N 2.96Å
658	Y	91.4	Very high	94.5	Very high	19 Å²	19	21.1 Å²	21.1	8%	0.075	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-39.1	-172.8	-61.4	-78.6	0	0	0	110.9	K375 P637 Y638 Y654 R686 Y688	K375-Y658 HydrophobicContact CD-CD1 4.29Å; K375-Y658 HydrophobicContact CD-CE1 4.14Å; K375-Y658 HydrophobicContact CG-CE1 4.19Å; K375-Y658 PolarHBondContact O-OH 2.8Å; P637-Y658 HydrophobicContact CG-CE2 3.72Å; Y638-Y658 HydrophobicContact CD2-CE2 4.49Å; Y638-Y658 HydrophobicContact CE2-CD2 4.12Å; Y638-Y658 AromaticContact CE2-CE2 3.69Å; Y638-Y658 HydrophobicContact CE2-CE2 3.69Å; Y638-Y658 AromaticContact CZ-CE2 3.8Å; Y654-Y658 AromaticContact CD2-CD2 3.48Å; Y654-Y658 HydrophobicContact CD2-CD2 3.48Å; Y654-Y658 VanDerWaalsContact CD2-CD2 3.48Å; Y654-Y658 HydrophobicContact CD2-CE2 4.38Å; Y654-Y658 AromaticContact CD2-CG 3.95Å; Y654-Y658 HydrophobicContact CD2-CG 3.95Å; Y654-Y658 AromaticContact CE2-CD2 3.79Å; Y654-Y658 HydrophobicContact CE2-CD2 3.79Å; Y654-Y658 AromaticContact CE2-CG 3.79Å; Y654-Y658 HydrophobicContact CE2-CG 3.79Å; Y654-Y658 HydrophobicContact CG-CD2 4.24Å; Y654-Y658 WeakPolarHBondContact O-CA 3.46Å; Y654-Y658 PolarHBondContact O-N 3.01Å; Y658-R686 WeakPolarHBondContact O-CD 3.49Å; Y658-Y688 VanDerWaalsContact C-CE1 3.48Å; Y658-Y688 WeakPolarHBondContact O-CE1 3.35Å; Y658-Y688 PolarHBondContact O-OH 3.48Å; Y658-Y688 VanDerWaalsContact O-OH 3.08Å
659	G	93.4	Very high	94.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.			trans	80.1	151.1	-176	0	0	0	0	0	112	Y654 A655 R686 F687	Y654-G659 WeakPolarHBondContact CE1-O 3.32Å; Y654-G659 PolarHBondContact O-N 3.35Å; A655-G659 WeakPolarHBondContact O-CA 2.98Å; G659-R686 PolarHBondContact O-NH1 3.21Å; G659-F687 CarbonylContact C-O 3.47Å; G659-F687 WeakPolarHBondContact CA-O 3.31Å
660	W	95.5	Very high	94.2	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-85	149.1	178.5	-74	77	0	0	0	111.9	A604 A608 L611 F627 S628 I632 I650 R686 F687	A604-W660 HydrophobicContact CB-CH2 4.42Å; A604-W660 WeakPolarHBondContact O-CH2 3.38Å; A608-W660 HydrophobicContact CB-CH2 3.93Å; A608-W660 HydrophobicContact CB-CZ3 3.91Å; L611-W660 HydrophobicContact CD1-CG 4.49Å; F627-W660 HydrophobicContact CB-CB 4.44Å; F627-W660 HydrophobicContact CB-CD2 4.24Å; F627-W660 HydrophobicContact CB-CE3 3.62Å; F627-W660 HydrophobicContact CB-CZ3 4.14Å; F627-W660 HydrophobicContact CD1-CB 3.74Å; F627-W660 HydrophobicContact CE1-CB 4.25Å; F627-W660 HydrophobicContact CG-CB 4.07Å; F627-W660 HydrophobicContact CG-CD2 4.48Å; F627-W660 HydrophobicContact CG-CE3 4.33Å; F627-W660 HydrophobicContact CG-CG 4.44Å; S628-W660 WeakPolarHBondContact O-CZ3 3.19Å; I632-W660 HydrophobicContact CD1-CD2 3.97Å; I632-W660 HydrophobicContact CD1-CE3 3.91Å; I632-W660 HydrophobicContact CD1-CH2 4Å; I632-W660 HydrophobicContact CD1-CZ2 4Å; I632-W660 HydrophobicContact CD1-CZ3 3.94Å; I632-W660 HydrophobicContact CG1-CD2 4.32Å; I632-W660 HydrophobicContact CG1-CE3 3.81Å; I632-W660 HydrophobicContact CG1-CH2 3.43Å; I632-W660 VanDerWaalsContact CG1-CH2 3.43Å; I632-W660 HydrophobicContact CG1-CZ2 3.92Å; I632-W660 HydrophobicContact CG1-CZ3 3.35Å; I650-W660 HydrophobicContact CG2-CH2 4.02Å; I650-W660 HydrophobicContact CG2-CZ2 3.56Å; I650-W660 PolarHBondContact O-NE1 2.79Å; W660-R686 CarbonylContact O-C 3.16Å; W660-R686 VanDerWaalsContact O-CA 3.28Å; W660-R686 WeakPolarHBondContact O-CA 3.46Å; W660-F687 PolarHBondContact N-O 2.83Å; W660-F687 PolarHBondContact O-N 3.08Å
661	V	95.7	Very high	93.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-103.7	162.3	165.7	-61.3	0	0	0	0	110.3	F627 S628 D631 C665 V680 C684 R686	F627-V661 WeakPolarHBondContact CA-O 3.43Å; S628-V661 PolarHBondContact N-O 3.01Å; D631-V661 HydrophobicContact CB-CG2 3.55Å; V661-C665 HydrophobicContact CB-CB 4.09Å; V661-C665 HydrophobicContact CG2-CB 4.15Å; V661-V680 HydrophobicContact CG1-CG1 4.15Å; V661-V680 HydrophobicContact CG2-CG1 4.32Å; V661-C684 HydrophobicContact CG1-CB 4.19Å; V661-R686 HydrophobicContact CG1-CG 4.01Å
662	L	96.1	Very high	93.2	Very high	27 Å²	27	35.2 Å²	35.2	14%	0.141	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-73.3	156.5	176.1	-60.6	179.1	0	0	0	111.7	P625 V626 F627 E664 C665 F687	P625-L662 HydrophobicContact CB-CD2 3.65Å; V626-L662 CarbonylContact O-C 3.59Å; V626-L662 VanDerWaalsContact O-CA 3.26Å; V626-L662 WeakPolarHBondContact O-CA 3.5Å; F627-L662 HydrophobicContact CD1-CD2 4.04Å; F627-L662 HydrophobicContact CE1-CD2 3.99Å; L662-E664 HydrophobicContact CB-CG 3.88Å; L662-E664 PolarHBondContact O-N 3.39Å; L662-C665 WeakPolarHBondContact O-CB 3.26Å; L662-C665 PolarHBondContact O-N 3.49Å; L662-F687 HydrophobicContact CD1-CE2 4.08Å; L662-F687 HydrophobicContact CD1-CZ 4.25Å; L662-F687 HydrophobicContact CD2-CD2 4.18Å; L662-F687 HydrophobicContact CD2-CE2 3.71Å; L662-F687 HydrophobicContact CD2-CZ 4.11Å; L662-F687 HydrophobicContact CG-CD2 4.39Å; L662-F687 HydrophobicContact CG-CE2 3.66Å; L662-F687 HydrophobicContact CG-CZ 4.24Å
663	E	96	Very high	92.3	Very high	43 Å²	43	37.7 Å²	37.7	20%	0.201	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.3	177.7	-178.5	66.4	-177.1	0	0	112.8	R594 V626 S628 C665 S666 P667 Y668	R594-E663 IonicContact CZ-OE1 2.75Å; R594-E663 IonicContact CZ-OE2 3.28Å; R594-E663 IonicContact NH1-OE2 3.14Å; R594-E663 PolarHBondContact NH1-OE2 3.12Å; R594-E663 IonicContact NH2-OE1 3.78Å; R594-E663 PolarHBondContact NH2-OE1 3.38Å; R594-E663 IonicContact NH2-OE2 3.77Å; R594-E663 PolarHBondContact NH2-OE2 3.5Å; V626-E663 HydrophobicContact CB-CB 4.36Å; V626-E663 HydrophobicContact CG1-CB 3.94Å; V626-E663 PolarHBondContact O-N 2.87Å; S628-E663 WeakPolarHBondContact CA-OE2 3.49Å; E663-C665 PolarHBondContact O-N 2.87Å; E663-S666 CarbonylContact O-C 3.54Å; E663-S666 PolarHBondContact O-N 3.33Å; E663-P667 VanDerWaalsContact O-CA 3.31Å; E663-P667 WeakPolarHBondContact O-CA 3.4Å; E663-P667 VanDerWaalsContact O-N 3.09Å; E663-Y668 WeakPolarHBondContact OE1-CB 3.24Å; E663-Y668 PolarHBondContact OE1-N 3.17Å
664	E	94.6	Very high	90.9	Very high	157 Å²	157	43.8 Å²	43.8	73%	0.734	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.2	177.9	60.5	-173.6	-166	0	0	113.7	L662	L662-E664 HydrophobicContact CB-CG 3.88Å; L662-E664 PolarHBondContact O-N 3.39Å
665	C	93.5	Very high	89.2	Confident	35 Å²	35	50.9 Å²	50.9	24%	0.236	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-32.8	178.4	-77.1	0	0	0	0	113.1	V661 L662 E663 V680 C684	V661-C665 HydrophobicContact CB-CB 4.09Å; V661-C665 HydrophobicContact CG2-CB 4.15Å; L662-C665 WeakPolarHBondContact O-CB 3.26Å; L662-C665 PolarHBondContact O-N 3.49Å; E663-C665 PolarHBondContact O-N 2.87Å; C665-V680 HydrophobicContact CB-CG1 4.12Å; C665-C684 HydrophobicContact CB-CB 3.82Å; C665-C684 WeakPolarHBondContact CB-SG 3.39Å; C665-C684 WeakPolarHBondContact SG-CB 3.49Å; C665-C684 CovalentContact SG-SG 2.02Å; C665-C684 PolarHBondContact SG-SG 2.87Å
666	S	92.7	Very high	87.3	Confident	13 Å²	13	60 Å²	60	9%	0.091	29%	0.29	C	S	.	.	S	Bend	trans	-147	86.4	177.1	-172.6	0	0	0	0	109.2	S628 Q630 E663	S628-S666 WeakPolarHBondContact CB-O 3.38Å; S628-S666 WeakPolarHBondContact OG-CB 3.29Å; S628-S666 PolarHBondContact OG-O 3.41Å; Q630-S666 WeakPolarHBondContact CB-O 3.37Å; Q630-S666 WeakPolarHBondContact CG-OG 3.27Å; E663-S666 CarbonylContact O-C 3.54Å; E663-S666 PolarHBondContact O-N 3.33Å
667	P	93.7	Very high	85.7	Confident	72 Å²	72	63.3 Å²	63.3	47%	0.468	31%	0.308	S	S	.	.			trans	-63.8	142.7	-177.7	-25.4	35.2	0	0	0	112.2	E663 K669	E663-P667 VanDerWaalsContact O-CA 3.31Å; E663-P667 WeakPolarHBondContact O-CA 3.4Å; E663-P667 VanDerWaalsContact O-N 3.09Å; P667-K669 PolarHBondContact O-N 2.9Å
668	Y	95.3	Very high	84.9	Confident	45 Å²	45	66.2 Å²	66.2	18%	0.176	33%	0.328	C	S	.	.			trans	-68.1	130.6	-176.7	-169.8	-109	0	0	0	113.8	Q596 C599 S601 F605 P629 Q630 E663	Q596-Y668 WeakPolarHBondContact O-CE1 3.19Å; Q596-Y668 PolarHBondContact O-OH 3.28Å; C599-Y668 VanDerWaalsContact CB-OH 3.3Å; C599-Y668 WeakPolarHBondContact CB-OH 3.47Å; S601-Y668 PolarHBondContact OG-OH 3.08Å; F605-Y668 HydrophobicContact CE2-CD1 4.32Å; F605-Y668 HydrophobicContact CE2-CD2 4.08Å; F605-Y668 AromaticContact CE2-CE1 3.84Å; F605-Y668 HydrophobicContact CE2-CE1 3.84Å; F605-Y668 AromaticContact CE2-CE2 3.59Å; F605-Y668 HydrophobicContact CE2-CE2 3.59Å; F605-Y668 HydrophobicContact CE2-CG 4.42Å; F605-Y668 AromaticContact CE2-CZ 3.43Å; F605-Y668 VanDerWaalsContact CE2-CZ 3.43Å; F605-Y668 AromaticContact CZ-CD1 3.73Å; F605-Y668 HydrophobicContact CZ-CD1 3.73Å; F605-Y668 AromaticContact CZ-CD2 3.97Å; F605-Y668 HydrophobicContact CZ-CD2 3.97Å; F605-Y668 AromaticContact CZ-CE1 3.63Å; F605-Y668 HydrophobicContact CZ-CE1 3.63Å; F605-Y668 AromaticContact CZ-CE2 3.9Å; F605-Y668 HydrophobicContact CZ-CE2 3.9Å; F605-Y668 AromaticContact CZ-CG 3.88Å; F605-Y668 HydrophobicContact CZ-CG 3.88Å; F605-Y668 AromaticContact CZ-CZ 3.71Å; P629-Y668 HydrophobicContact CB-CD2 4.07Å; P629-Y668 HydrophobicContact CB-CE2 4.23Å; Q630-Y668 HydrophobicContact CB-CD2 4.24Å; E663-Y668 WeakPolarHBondContact OE1-CB 3.24Å; E663-Y668 PolarHBondContact OE1-N 3.17Å
669	K	92.2	Very high	83.9	Confident	94 Å²	94	71.9 Å²	71.9	41%	0.409	36%	0.359	S	S	.	.			trans	-115.3	-10.1	-175.1	-63.9	164.3	-172.6	158.1	0	113.6	P667 K671 Q673	P667-K669 PolarHBondContact O-N 2.9Å; K669-K671 VanDerWaalsContact C-N 3.26Å; K669-K671 PolarHBondContact O-N 3.41Å; K669-Q673 HydrophobicContact CD-CG 4.17Å; K669-Q673 VanDerWaalsContact CD-NE2 3.33Å; K669-Q673 VanDerWaalsContact NZ-NE2 3.17Å
670	G	89.4	Confident	83.2	Confident	4 Å²	4	73 Å²	73	4%	0.041	37%	0.366	C	S	.	.	S	Bend	trans	70.9	16.5	179.4	0	0	0	0	0	115.1	C599	C599-G670 WeakPolarHBondContact CB-O 3.48Å
671	K	89	Confident	82.5	Confident	127 Å²	127	77.3 Å²	77.3	55%	0.552	39%	0.39	S	S	*	.	S	Bend	trans	-153.4	151.8	175.5	60.6	-178.3	-179.9	177.4	0	110.3	Q630 K669	Q630-K671 PolarHBondContact NE2-O 2.9Å; K669-K671 VanDerWaalsContact C-N 3.26Å; K669-K671 PolarHBondContact O-N 3.41Å
672	K	81.5	Confident	81.9	Confident	81 Å²	81	88.8 Å²	88.8	35%	0.352	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-69.9	130.5	168.4	-164.1	-175.3	178.7	-173.9	0	108.3	V633 D634 C642 E675	V633-K672 HydrophobicContact CG1-CB 4.06Å; V633-K672 HydrophobicContact CG1-CG 4.29Å; D634-K672 WeakPolarHBondContact OD1-CA 3.47Å; C642-K672 PolarHBondContact SG-N 2.91Å; K672-E675 IonicContact NZ-OE1 2.87Å; K672-E675 PolarHBondContact NZ-OE1 3.33Å
673	Q	76.3	Confident	81.5	Confident	52 Å²	52	95.5 Å²	95.5	24%	0.243	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-81.2	168.1	169.9	-54.5	-154	-65.9	0	0	110.5	D634 K669 E675 L677	D634-Q673 PolarHBondContact OD1-N 2.9Å; K669-Q673 HydrophobicContact CD-CG 4.17Å; K669-Q673 VanDerWaalsContact CD-NE2 3.33Å; K669-Q673 VanDerWaalsContact NZ-NE2 3.17Å; Q673-E675 PolarHBondContact O-N 3.2Å; Q673-L677 HydrophobicContact CB-CB 4.15Å; Q673-L677 HydrophobicContact CB-CD1 3.63Å
674	D	65.4	Low	81.3	Confident	129 Å²	129	94.5 Å²	94.5	69%	0.69	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-54.9	141.3	175.4	-67	-38.3	0	0	0	110.4	Q676 L677	D674-Q676 PolarHBondContact O-N 2.89Å; D674-L677 HydrophobicContact CB-CD1 4.17Å; D674-L677 VanDerWaalsContact O-CB 3.3Å; D674-L677 WeakPolarHBondContact O-CB 3.43Å; D674-L677 PolarHBondContact O-N 3.02Å
675	E	59.2	Low	81.2	Confident	152 Å²	152	91.2 Å²	91.2	71%	0.71	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-60.5	-17	-171	-60.6	-172.3	152.5	0	0	114	K672 Q673 L677	K672-E675 IonicContact NZ-OE1 2.87Å; K672-E675 PolarHBondContact NZ-OE1 3.33Å; Q673-E675 PolarHBondContact O-N 3.2Å; E675-L677 PolarHBondContact O-N 3.03Å
676	Q	55.4	Low	81.2	Confident	191 Å²	191	93.3 Å²	93.3	89%	0.893	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-71.4	-8.1	173.2	-75.2	174.2	-15.1	0	0	113.7	D674	D674-Q676 PolarHBondContact O-N 2.89Å
677	L	61	Low	81.4	Confident	86 Å²	86	92.8 Å²	92.8	45%	0.45	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-94.1	16.7	-173.3	-76.3	154.1	0	0	0	115.2	Q673 D674 E675 D679	Q673-L677 HydrophobicContact CB-CB 4.15Å; Q673-L677 HydrophobicContact CB-CD1 3.63Å; D674-L677 HydrophobicContact CB-CD1 4.17Å; D674-L677 VanDerWaalsContact O-CB 3.3Å; D674-L677 WeakPolarHBondContact O-CB 3.43Å; D674-L677 PolarHBondContact O-N 3.02Å; E675-L677 PolarHBondContact O-N 3.03Å; L677-D679 PolarHBondContact O-N 2.93Å
678	C	74.9	Confident	81.4	Confident	62 Å²	62	92.8 Å²	92.8	42%	0.419	43%	0.434	S	S	.	.			trans	-75.7	57.7	170.6	-77.9	0	0	0	0	113.6	D634 C635	D634-C678 PolarHBondContact O-SG 3.03Å; C635-C678 WeakPolarHBondContact CA-SG 3.2Å; C635-C678 HydrophobicContact CB-CB 3.95Å; C635-C678 WeakPolarHBondContact CB-SG 3.4Å; C635-C678 WeakPolarHBondContact SG-CA 3.32Å; C635-C678 WeakPolarHBondContact SG-CB 3.28Å; C635-C678 CovalentContact SG-SG 2.06Å; C635-C678 PolarHBondContact SG-SG 3.14Å
679	D	70.9	Confident	81.5	Confident	138 Å²	138	90.7 Å²	90.7	74%	0.738	43%	0.426	S	S	*	.			trans	-123.3	68.2	-179.3	-165.6	25.5	0	0	0	109.3	L677	L677-D679 PolarHBondContact O-N 2.93Å
680	V	79.9	Confident	81.6	Confident	24 Å²	24	87.9 Å²	87.9	15%	0.145	42%	0.417	C	S	.	.			trans	-73.5	134.6	167.7	-179.8	0	0	0	0	108.3	D631 V661 C665 R682 C684	D631-V680 VanDerWaalsContact OD1-CG2 3.24Å; D631-V680 WeakPolarHBondContact OD1-CG2 3.37Å; V661-V680 HydrophobicContact CG1-CG1 4.15Å; V661-V680 HydrophobicContact CG2-CG1 4.32Å; C665-V680 HydrophobicContact CB-CG1 4.12Å; V680-R682 PolarHBondContact O-N 3.01Å; V680-C684 HydrophobicContact CG1-CB 3.9Å
681	D	80.7	Confident	81.7	Confident	92 Å²	92	92.2 Å²	92.2	49%	0.492	44%	0.439	S	S	.	.			trans	-47.7	130.6	179.6	-172.7	-18.3	0	0	0	110.9	H683 C684	D681-H683 PolarHBondContact O-N 2.74Å; D681-H683 VanDerWaalsContact O-N 3.14Å; D681-H683 IonicContact OD1-CE1 3.89Å; D681-H683 IonicContact OD1-CG 3.53Å; D681-H683 PolarHBondContact OD1-N 2.94Å; D681-H683 IonicContact OD1-ND1 2.79Å; D681-H683 PolarHBondContact OD1-ND1 2.89Å; D681-H683 IonicContact OD2-ND1 3.8Å; D681-C684 WeakPolarHBondContact O-CB 3.47Å; D681-C684 PolarHBondContact O-N 3.27Å
682	R	81.4	Confident	82	Confident	240 Å²	240	86.9 Å²	86.9	91%	0.906	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.9	179.2	-64.1	-176.5	-179.8	-173	-0	113.2	V680 C684	V680-R682 PolarHBondContact O-N 3.01Å; R682-C684 VanDerWaalsContact C-N 3.26Å
683	H	88.3	Confident	82.7	Confident	169 Å²	169	84.5 Å²	84.5	78%	0.782	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-11.9	174.9	-58.3	90.9	0	0	0	113	D681 K685	D681-H683 PolarHBondContact O-N 2.74Å; D681-H683 VanDerWaalsContact O-N 3.14Å; D681-H683 IonicContact OD1-CE1 3.89Å; D681-H683 IonicContact OD1-CG 3.53Å; D681-H683 PolarHBondContact OD1-N 2.94Å; D681-H683 IonicContact OD1-ND1 2.79Å; D681-H683 PolarHBondContact OD1-ND1 2.89Å; D681-H683 IonicContact OD2-ND1 3.8Å; H683-K685 PolarHBondContact O-N 3.47Å
684	C	92	Very high	83.5	Confident	22 Å²	22	82.5 Å²	82.5	15%	0.149	40%	0.401	C	S	.	.	S	Bend	trans	-68.7	114.3	176.2	-73.3	0	0	0	0	111.3	V661 C665 V680 D681 R682	V661-C684 HydrophobicContact CG1-CB 4.19Å; C665-C684 HydrophobicContact CB-CB 3.82Å; C665-C684 WeakPolarHBondContact CB-SG 3.39Å; C665-C684 WeakPolarHBondContact SG-CB 3.49Å; C665-C684 CovalentContact SG-SG 2.02Å; C665-C684 PolarHBondContact SG-SG 2.87Å; V680-C684 HydrophobicContact CG1-CB 3.9Å; D681-C684 WeakPolarHBondContact O-CB 3.47Å; D681-C684 PolarHBondContact O-N 3.27Å; R682-C684 VanDerWaalsContact C-N 3.26Å
685	K	92.4	Very high	85	Confident	88 Å²	88	76.5 Å²	76.5	38%	0.383	37%	0.369	S	S	.	.			trans	-60	136.8	173.6	-176.3	173.8	176.3	-178.7	0	109.8	H683 F687 T815 F816	H683-K685 PolarHBondContact O-N 3.47Å; K685-F687 HydrophobicContact CB-CE2 4.14Å; K685-F687 HydrophobicContact CB-CZ 4.46Å; K685-F687 HydrophobicContact CD-CE1 4.37Å; K685-F687 HydrophobicContact CD-CE2 4.35Å; K685-F687 HydrophobicContact CD-CZ 3.88Å; K685-F687 HydrophobicContact CG-CE2 4.04Å; K685-F687 HydrophobicContact CG-CZ 4.09Å; K685-T815 WeakPolarHBondContact CE-OG1 3.46Å; K685-T815 PolarHBondContact NZ-O 2.98Å; K685-F816 PolarHBondContact NZ-OXT 2.79Å
686	R	93.4	Very high	86.4	Confident	78 Å²	78	70.9 Å²	70.9	29%	0.294	35%	0.352	S	S	.	.			trans	-101.1	138.3	174.1	-65.1	-155.4	172.9	-107.3	-4.7	111.5	D631 Y658 G659 W660 V661 Y688	D631-R686 IonicContact OD1-NH2 3.95Å; D631-R686 IonicContact OD2-NH1 2.9Å; D631-R686 PolarHBondContact OD2-NH1 3.14Å; Y658-R686 WeakPolarHBondContact O-CD 3.49Å; G659-R686 PolarHBondContact O-NH1 3.21Å; W660-R686 CarbonylContact O-C 3.16Å; W660-R686 VanDerWaalsContact O-CA 3.28Å; W660-R686 WeakPolarHBondContact O-CA 3.46Å; V661-R686 HydrophobicContact CG1-CG 4.01Å; R686-Y688 HydrophobicContact CB-CE2 3.74Å
687	F	96	Very high	88.1	Confident	3 Å²	3	63.4 Å²	63.4	1%	0.013	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-112.8	126.7	-177.6	-64.8	-95.7	0	0	0	109.4	Y615 Y623 F627 G659 W660 L662 K685	Y615-F687 HydrophobicContact CE1-CD1 4.39Å; Y615-F687 HydrophobicContact CE2-CB 4.38Å; Y615-F687 HydrophobicContact CE2-CD1 4.39Å; Y615-F687 AromaticContact CZ-CD1 3.89Å; Y623-F687 AromaticContact CE1-CE1 3.74Å; Y623-F687 HydrophobicContact CE1-CE1 3.74Å; Y623-F687 HydrophobicContact CE1-CZ 4.4Å; Y623-F687 AromaticContact CZ-CE1 3.96Å; Y623-F687 VanDerWaalsContact OH-CE1 3.31Å; Y623-F687 WeakPolarHBondContact OH-CE1 3.4Å; Y623-F687 WeakPolarHBondContact OH-CZ 3.36Å; F627-F687 HydrophobicContact CE1-CB 3.57Å; F627-F687 HydrophobicContact CE1-CD1 4.24Å; F627-F687 AromaticContact CE1-CD2 3.81Å; F627-F687 HydrophobicContact CE1-CD2 3.81Å; F627-F687 AromaticContact CE1-CG 3.6Å; F627-F687 HydrophobicContact CE1-CG 3.6Å; F627-F687 HydrophobicContact CZ-CB 3.97Å; F627-F687 HydrophobicContact CZ-CG 4.19Å; G659-F687 CarbonylContact C-O 3.47Å; G659-F687 WeakPolarHBondContact CA-O 3.31Å; W660-F687 PolarHBondContact N-O 2.83Å; W660-F687 PolarHBondContact O-N 3.08Å; L662-F687 HydrophobicContact CD1-CE2 4.08Å; L662-F687 HydrophobicContact CD1-CZ 4.25Å; L662-F687 HydrophobicContact CD2-CD2 4.18Å; L662-F687 HydrophobicContact CD2-CE2 3.71Å; L662-F687 HydrophobicContact CD2-CZ 4.11Å; L662-F687 HydrophobicContact CG-CD2 4.39Å; L662-F687 HydrophobicContact CG-CE2 3.66Å; L662-F687 HydrophobicContact CG-CZ 4.24Å; K685-F687 HydrophobicContact CB-CE2 4.14Å; K685-F687 HydrophobicContact CB-CZ 4.46Å; K685-F687 HydrophobicContact CD-CE1 4.37Å; K685-F687 HydrophobicContact CD-CE2 4.35Å; K685-F687 HydrophobicContact CD-CZ 3.88Å; K685-F687 HydrophobicContact CG-CE2 4.04Å; K685-F687 HydrophobicContact CG-CZ 4.09Å
688	Y	95.7	Very high	89.5	Confident	72 Å²	72	61 Å²	61	28%	0.282	31%	0.313	S	S	.	.			trans	-108.8	158	-170.1	-66.7	-88.7	0	0	0	111.9	A655 E656 Y658 R686 I813	A655-Y688 WeakPolarHBondContact O-CA 3.43Å; A655-Y688 VanDerWaalsContact O-CD1 3.29Å; A655-Y688 WeakPolarHBondContact O-CD1 3.32Å; E656-Y688 WeakPolarHBondContact O-CD1 3.42Å; Y658-Y688 VanDerWaalsContact C-CE1 3.48Å; Y658-Y688 WeakPolarHBondContact O-CE1 3.35Å; Y658-Y688 PolarHBondContact O-OH 3.48Å; Y658-Y688 VanDerWaalsContact O-OH 3.08Å; R686-Y688 HydrophobicContact CB-CE2 3.74Å; Y688-I813 PolarHBondContact O-N 2.76Å
689	A	95.5	Very high	90.2	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	159.5	170.5	0	0	0	0	0	110.9	L611 A655 E656 A810 T811	L611-A689 HydrophobicContact CD2-CB 3.91Å; A655-A689 HydrophobicContact CB-CB 3.61Å; A655-A689 PolarHBondContact O-N 3.08Å; A655-A689 VanDerWaalsContact O-N 3.12Å; E656-A689 VanDerWaalsContact CA-O 3.26Å; E656-A689 WeakPolarHBondContact CA-O 3.34Å; E656-A689 VanDerWaalsContact CB-O 3.29Å; E656-A689 WeakPolarHBondContact CB-O 3.32Å; A689-A810 HydrophobicContact CB-CB 4.3Å; A689-T811 CarbonylContact C-O 3.57Å; A689-T811 VanDerWaalsContact CA-O 3.25Å; A689-T811 WeakPolarHBondContact CA-O 3.42Å; A689-T811 WeakPolarHBondContact CB-O 3.32Å
690	T	94.2	Very high	90.7	Very high	34 Å²	34	53.9 Å²	53.9	21%	0.209	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	176.8	178.8	-175.6	0	0	0	0	109.6	Y692 T811 I813	T690-Y692 PolarHBondContact O-N 2.04Å; T690-Y692 VanDerWaalsContact O-N 3.09Å; T690-T811 PolarHBondContact N-O 2.87Å; T690-T811 PolarHBondContact O-N 2.91Å; T690-I813 HydrophobicContact CG2-CD1 4.31Å; T690-I813 HydrophobicContact CG2-CG1 3.89Å
691	D	91.9	Very high	91	Very high	96 Å²	96	53 Å²	53	51%	0.513	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.3	39.5	171.5	-57	-40.9	0	0	0	112.9
692	Y	95.7	Very high	91.5	Very high	15 Å²	15	48.6 Å²	48.6	6%	0.059	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	137.8	179.6	68.1	-96.1	0	0	0	111.2	E420 K427 Y648 G652 K653 E656 T690 F808 E809	E420-Y692 PolarHBondContact OE1-OH 2.89Å; E420-Y692 VanDerWaalsContact OE2-CE2 3.3Å; E420-Y692 WeakPolarHBondContact OE2-CE2 3.42Å; E420-Y692 PolarHBondContact OE2-OH 3.41Å; K427-Y692 VanDerWaalsContact NZ-CE1 3.32Å; K427-Y692 PolarHBondContact NZ-OH 2.82Å; Y648-Y692 HydrophobicContact CD2-CD2 4.48Å; Y648-Y692 HydrophobicContact CE1-CD2 4.22Å; Y648-Y692 AromaticContact CE1-CE2 3.79Å; Y648-Y692 HydrophobicContact CE1-CE2 3.79Å; Y648-Y692 AromaticContact CE2-CD2 3.95Å; Y648-Y692 HydrophobicContact CE2-CD2 3.95Å; Y648-Y692 HydrophobicContact CE2-CE2 4.22Å; Y648-Y692 AromaticContact CZ-CD2 3.81Å; Y648-Y692 AromaticContact CZ-CE2 3.59Å; G652-Y692 VanDerWaalsContact CA-CB 3.47Å; K653-Y692 HydrophobicContact CB-CE2 4.39Å; E656-Y692 HydrophobicContact CB-CD1 4.48Å; E656-Y692 HydrophobicContact CB-CE1 4.09Å; T690-Y692 PolarHBondContact O-N 2.04Å; T690-Y692 VanDerWaalsContact O-N 3.09Å; Y692-F808 HydrophobicContact CD2-CE2 4.38Å; Y692-E809 VanDerWaalsContact CA-O 3.25Å; Y692-E809 WeakPolarHBondContact CA-O 3.47Å
693	A	95.5	Very high	92	Very high	31 Å²	31	37.4 Å²	37.4	26%	0.256	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	163.7	-179.1	0	0	0	0	0	111.4	F808 E809	A693-F808 VanDerWaalsContact O-CD2 3.3Å; A693-F808 WeakPolarHBondContact O-CD2 3.44Å; A693-E809 PolarHBondContact N-O 3.08Å; A693-E809 PolarHBondContact O-N 3.42Å
694	Y	94.8	Very high	92.4	Very high	9 Å²	9	30.7 Å²	30.7	4%	0.035	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	140	157.1	-69.7	-74.6	0	0	0	108.6	T412 L413 V415 Y648 G696 G697 F698 Y699 S806 A807	T412-Y694 HydrophobicContact CG2-CD2 4.3Å; T412-Y694 HydrophobicContact CG2-CE2 4.35Å; L413-Y694 WeakPolarHBondContact O-CE2 3.5Å; V415-Y694 PolarHBondContact N-OH 2.98Å; Y648-Y694 HydrophobicContact CD2-CD1 4.47Å; Y648-Y694 AromaticContact CD2-CD2 3.75Å; Y648-Y694 HydrophobicContact CD2-CD2 3.75Å; Y648-Y694 HydrophobicContact CD2-CE1 4.25Å; Y648-Y694 AromaticContact CD2-CE2 3.46Å; Y648-Y694 HydrophobicContact CD2-CE2 3.46Å; Y648-Y694 VanDerWaalsContact CD2-CE2 3.46Å; Y648-Y694 HydrophobicContact CD2-CG 4.25Å; Y648-Y694 AromaticContact CD2-CZ 3.76Å; Y648-Y694 AromaticContact CE2-CD2 3.82Å; Y648-Y694 HydrophobicContact CE2-CD2 3.82Å; Y648-Y694 AromaticContact CE2-CE2 3.78Å; Y648-Y694 HydrophobicContact CE2-CE2 3.78Å; Y648-Y694 AromaticContact CG-CE2 3.96Å; Y648-Y694 HydrophobicContact CG-CE2 3.96Å; Y648-Y694 AromaticContact CG-CZ 3.94Å; Y694-G696 PolarHBondContact O-N 2.84Å; Y694-G697 WeakPolarHBondContact O-CA 3.38Å; Y694-G697 PolarHBondContact O-N 3.34Å; Y694-F698 WeakPolarHBondContact CB-O 3.47Å; Y694-Y699 HydrophobicContact CD1-CD2 4.42Å; Y694-Y699 AromaticContact CE1-CD2 3.87Å; Y694-Y699 HydrophobicContact CE1-CD2 3.87Å; Y694-Y699 HydrophobicContact CE2-CD2 4.25Å; Y694-Y699 HydrophobicContact CE2-CG 4.46Å; Y694-Y699 AromaticContact CZ-CD2 3.76Å; Y694-S806 WeakPolarHBondContact CD1-OG 3.21Å; Y694-S806 VanDerWaalsContact CE1-OG 3.3Å; Y694-S806 WeakPolarHBondContact CE1-OG 3.19Å; Y694-A807 CarbonylContact C-O 3.45Å; Y694-A807 VanDerWaalsContact CA-O 3.32Å; Y694-A807 WeakPolarHBondContact CA-O 3.36Å
695	V	95.2	Very high	92.6	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	127.3	170.9	174.8	0	0	0	0	108	G701 C702 L706 M707 A710 A807 E809	V695-G701 CarbonylContact O-C 3.56Å; V695-C702 WeakPolarHBondContact O-CA 3.41Å; V695-C702 WeakPolarHBondContact O-CB 3.4Å; V695-C702 PolarHBondContact O-N 2.98Å; V695-L706 HydrophobicContact CG1-CB 3.65Å; V695-M707 HydrophobicContact CG1-CG 4.2Å; V695-A710 HydrophobicContact CG1-CB 4.36Å; V695-A710 HydrophobicContact CG2-CB 4.14Å; V695-A807 HydrophobicContact CB-CB 3.92Å; V695-A807 HydrophobicContact CG2-CB 3.66Å; V695-A807 PolarHBondContact N-O 3.09Å; V695-E809 HydrophobicContact CG2-CG 4.39Å
696	G	90.5	Very high	92.8	Very high	34 Å²	34	28 Å²	28	35%	0.351	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	2	-170.2	0	0	0	0	0	115.5	Y694 F698 G701	Y694-G696 PolarHBondContact O-N 2.84Å; G696-F698 PolarHBondContact O-N 3.26Å; G696-G701 WeakPolarHBondContact CA-O 3.36Å
697	G	91	Very high	93	Very high	35 Å²	35	24.3 Å²	24.3	36%	0.361	15%	0.147	S	C	.	.	S	Bend	trans	91.7	-11.3	166.2	0	0	0	0	0	116.1	N399 Y694	N399-G697 PolarHBondContact ND2-O 2.92Å; Y694-G697 WeakPolarHBondContact O-CA 3.38Å; Y694-G697 PolarHBondContact O-N 3.34Å
698	F	90.3	Very high	93.1	Very high	34 Å²	34	25.4 Å²	25.4	15%	0.149	15%	0.151	C	C	.	.	S	Bend	trans	-159.1	163.2	175.8	66.5	-77.9	0	0	0	111.8	P398 N399 T412 Y694 G696 G700 G701	P398-F698 HydrophobicContact CB-CD1 4.3Å; P398-F698 HydrophobicContact CB-CE1 3.76Å; P398-F698 HydrophobicContact CB-CE2 4.27Å; P398-F698 HydrophobicContact CB-CZ 3.75Å; P398-F698 HydrophobicContact CG-CE1 4.48Å; N399-F698 HydrophobicContact CB-CB 3.67Å; N399-F698 HydrophobicContact CB-CD1 4.02Å; N399-F698 HydrophobicContact CB-CG 3.96Å; T412-F698 WeakPolarHBondContact OG1-CA 3.37Å; Y694-F698 WeakPolarHBondContact CB-O 3.47Å; G696-F698 PolarHBondContact O-N 3.26Å; F698-G700 PolarHBondContact O-N 3.05Å; F698-G701 WeakPolarHBondContact O-CA 3.27Å; F698-G701 PolarHBondContact O-N 2.86Å
699	Y	88.1	Confident	93.2	Very high	33 Å²	33	22.8 Å²	22.8	13%	0.129	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	119	176.4	-179.5	-104.4	0	0	0	110.9	T412 L413 V415 P559 Y694	T412-Y699 PolarHBondContact OG1-N 3.01Å; L413-Y699 HydrophobicContact CB-CD1 4.25Å; L413-Y699 VanDerWaalsContact O-CB 3.27Å; L413-Y699 WeakPolarHBondContact O-CB 3.27Å; V415-Y699 HydrophobicContact CB-CE2 4.2Å; V415-Y699 HydrophobicContact CG1-CE2 4.16Å; V415-Y699 WeakPolarHBondContact CG1-OH 3.13Å; V415-Y699 HydrophobicContact CG2-CE2 4.17Å; V415-Y699 VanDerWaalsContact O-CD1 3.24Å; V415-Y699 WeakPolarHBondContact O-CD1 3.33Å; V415-Y699 VanDerWaalsContact O-CE1 3.22Å; V415-Y699 WeakPolarHBondContact O-CE1 3.49Å; P559-Y699 VanDerWaalsContact CD-OH 3.31Å; P559-Y699 WeakPolarHBondContact CD-OH 3.26Å; P559-Y699 HydrophobicContact CG-CE1 3.99Å; P559-Y699 HydrophobicContact CG-CE2 4.21Å; P559-Y699 WeakPolarHBondContact CG-OH 3.44Å; Y694-Y699 HydrophobicContact CD1-CD2 4.42Å; Y694-Y699 AromaticContact CE1-CD2 3.87Å; Y694-Y699 HydrophobicContact CE1-CD2 3.87Å; Y694-Y699 HydrophobicContact CE2-CD2 4.25Å; Y694-Y699 HydrophobicContact CE2-CG 4.46Å; Y694-Y699 AromaticContact CZ-CD2 3.76Å
700	G	83.2	Confident	93.3	Very high	18 Å²	18	23 Å²	23	19%	0.186	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	1.9	-171.3	0	0	0	0	0	114.5	A562 F698	A562-G700 WeakPolarHBondContact CB-O 3.26Å; F698-G700 PolarHBondContact O-N 3.05Å
701	G	86.2	Confident	93.6	Very high	5 Å²	5	21.4 Å²	21.4	5%	0.052	13%	0.134	C	C	.	.			trans	-87.8	-4.3	174.1	0	0	0	0	0	115.1	A562 V695 G696 F698	A562-G701 VanDerWaalsContact CB-C 3.4Å; A562-G701 VanDerWaalsContact CB-O 3.3Å; A562-G701 WeakPolarHBondContact CB-O 3.46Å; V695-G701 CarbonylContact O-C 3.56Å; G696-G701 WeakPolarHBondContact CA-O 3.36Å; F698-G701 WeakPolarHBondContact O-CA 3.27Å; F698-G701 PolarHBondContact O-N 2.86Å
702	C	90.4	Very high	93.9	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	12%	0.118	C	C	.	.			trans	-79.7	142	-171.7	-177.7	0	0	0	0	112.8	P561 A562 V695 M707 E804 A807	P561-C702 CarbonylContact C-O 3.52Å; P561-C702 WeakPolarHBondContact CA-O 3.47Å; P561-C702 WeakPolarHBondContact CB-O 3.24Å; A562-C702 PolarHBondContact N-O 3.3Å; V695-C702 WeakPolarHBondContact O-CA 3.41Å; V695-C702 WeakPolarHBondContact O-CB 3.4Å; V695-C702 PolarHBondContact O-N 2.98Å; C702-M707 VanDerWaalsContact SG-CG 3.54Å; C702-E804 PolarHBondContact SG-O 3.26Å; C702-A807 VanDerWaalsContact SG-CB 3.51Å; C702-A807 PolarHBondContact SG-N 3.38Å
703	N	92.1	Very high	93.8	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	14%	0.144	C	C	.	.			trans	-152.1	164.9	169.5	61.6	48.4	0	0	0	112.3	P561 A562 T563 V564 P705 L706 M707	P561-N703 HydrophobicContact CB-CB 4.3Å; A562-N703 WeakPolarHBondContact O-CB 3.47Å; A562-N703 PolarHBondContact O-ND2 3.34Å; T563-N703 PolarHBondContact O-ND2 3.33Å; V564-N703 HydrophobicContact CG2-CB 4.21Å; N703-P705 WeakPolarHBondContact OD1-CD 3.45Å; N703-L706 PolarHBondContact O-N 3.32Å; N703-L706 WeakPolarHBondContact OD1-CB 3.44Å; N703-L706 VanDerWaalsContact OD1-CG 3.22Å; N703-L706 WeakPolarHBondContact OD1-CG 3.46Å; N703-L706 PolarHBondContact OD1-N 3.25Å; N703-M707 VanDerWaalsContact O-CG 3.25Å; N703-M707 WeakPolarHBondContact O-CG 3.2Å; N703-M707 PolarHBondContact O-N 3.4Å
704	E	96	Very high	93.8	Very high	28 Å²	28	25.6 Å²	25.6	13%	0.131	15%	0.149	C	C	.	.	H	α-helix	trans	-54.3	-47	-174.5	-179.4	-76.6	163	0	0	113.9	L706 M707 R708 W776 R796 E804	E704-L706 PolarHBondContact O-N 2.77Å; E704-M707 WeakPolarHBondContact O-CB 3.4Å; E704-M707 PolarHBondContact O-N 3.2Å; E704-R708 PolarHBondContact O-N 2.79Å; E704-R708 WeakPolarHBondContact OE1-CD 3.39Å; E704-W776 HydrophobicContact CB-CZ2 4.35Å; E704-W776 HydrophobicContact CG-CH2 4.48Å; E704-W776 HydrophobicContact CG-CZ2 3.7Å; E704-R796 HydrophobicContact CG-CG 3.54Å; E704-R796 WeakPolarHBondContact OE1-CD 3.26Å; E704-R796 WeakPolarHBondContact OE1-CG 3.22Å; E704-R796 IonicContact OE1-CZ 3.85Å; E704-R796 IonicContact OE1-NE 3.25Å; E704-R796 IonicContact OE1-NH1 3.91Å; E704-R796 PolarHBondContact OE1-NH1 3.15Å; E704-E804 HydrophobicContact CB-CG 4.48Å
705	P	96.2	Very high	94	Very high	14 Å²	14	25.1 Å²	25.1	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-64.4	-41.1	177.6	-32.1	42.5	0	0	0	113.9	V564 V568 A572 N703 M707 R708 L709	V564-P705 HydrophobicContact CB-CG 4.39Å; V564-P705 HydrophobicContact CG1-CB 4.11Å; V564-P705 HydrophobicContact CG1-CG 3.74Å; V564-P705 HydrophobicContact CG2-CG 3.69Å; V568-P705 HydrophobicContact CG1-CB 3.7Å; A572-P705 HydrophobicContact CB-CB 3.64Å; N703-P705 WeakPolarHBondContact OD1-CD 3.45Å; P705-M707 VanDerWaalsContact C-N 3.29Å; P705-M707 PolarHBondContact O-N 3.24Å; P705-R708 PolarHBondContact O-N 3.38Å; P705-L709 WeakPolarHBondContact O-CG 3.45Å; P705-L709 PolarHBondContact O-N 2.88Å
706	L	96.6	Very high	94.1	Very high	40 Å²	40	25 Å²	25	21%	0.209	15%	0.147	C	C	.	.	H	α-helix	trans	-64.4	-36.6	174.9	-72.7	173.5	0	0	0	111.5	V568 V695 N703 E704 L709 A710	V568-L706 HydrophobicContact CG1-CD2 3.86Å; V568-L706 HydrophobicContact CG1-CG 3.91Å; V568-L706 HydrophobicContact CG2-CD2 3.85Å; V568-L706 HydrophobicContact CG2-CG 4.48Å; V695-L706 HydrophobicContact CG1-CB 3.65Å; N703-L706 PolarHBondContact O-N 3.32Å; N703-L706 WeakPolarHBondContact OD1-CB 3.44Å; N703-L706 VanDerWaalsContact OD1-CG 3.22Å; N703-L706 WeakPolarHBondContact OD1-CG 3.46Å; N703-L706 PolarHBondContact OD1-N 3.25Å; E704-L706 PolarHBondContact O-N 2.77Å; L706-L709 HydrophobicContact CD2-CD1 4.49Å; L706-L709 PolarHBondContact O-N 3.25Å; L706-A710 WeakPolarHBondContact O-CB 3.45Å; L706-A710 PolarHBondContact O-N 2.97Å
707	M	98.4	Very high	94.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.7	-41.5	174.5	-69.8	166.2	64.5	0	0	111.6	V695 C702 N703 E704 P705 L711 I717 V719 I762 W776 E804 A807	V695-M707 HydrophobicContact CG1-CG 4.2Å; C702-M707 VanDerWaalsContact SG-CG 3.54Å; N703-M707 VanDerWaalsContact O-CG 3.25Å; N703-M707 WeakPolarHBondContact O-CG 3.2Å; N703-M707 PolarHBondContact O-N 3.4Å; E704-M707 WeakPolarHBondContact O-CB 3.4Å; E704-M707 PolarHBondContact O-N 3.2Å; P705-M707 VanDerWaalsContact C-N 3.29Å; P705-M707 PolarHBondContact O-N 3.24Å; M707-L711 WeakPolarHBondContact O-CB 3.31Å; M707-L711 PolarHBondContact O-N 3.05Å; M707-I717 HydrophobicContact CB-CD1 3.77Å; M707-I717 HydrophobicContact CE-CD1 4.23Å; M707-I717 HydrophobicContact CG-CD1 3.99Å; M707-V719 HydrophobicContact CE-CG1 3.75Å; M707-I762 HydrophobicContact CE-CD1 3.35Å; M707-W776 HydrophobicContact CB-CH2 3.75Å; M707-W776 HydrophobicContact CB-CZ2 3.98Å; M707-W776 HydrophobicContact CE-CH2 4.39Å; M707-W776 HydrophobicContact CE-CZ2 3.83Å; M707-W776 HydrophobicContact SD-CZ2 4.35Å; M707-E804 HydrophobicContact CE-CG 4.27Å; M707-E804 VanDerWaalsContact SD-CA 3.57Å; M707-E804 HydrophobicContact SD-CB 3.88Å; M707-E804 HydrophobicContact SD-CG 4.1Å; M707-A807 HydrophobicContact CE-CB 4.3Å; M707-A807 HydrophobicContact CG-CB 3.84Å; M707-A807 HydrophobicContact SD-CB 4.26Å
708	R	98.3	Very high	94.9	Very high	26 Å²	26	21.8 Å²	21.8	10%	0.098	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-45.5	174.9	-73	-177.7	55.1	153.5	-4.7	111.6	L575 P576 E704 P705 L711 V712 Y765 W776 R796	L575-R708 HydrophobicContact CD1-CB 3.6Å; P576-R708 PolarHBondContact O-NH2 2.9Å; E704-R708 PolarHBondContact O-N 2.79Å; E704-R708 WeakPolarHBondContact OE1-CD 3.39Å; P705-R708 PolarHBondContact O-N 3.38Å; R708-L711 PolarHBondContact O-N 3.38Å; R708-V712 WeakPolarHBondContact O-CB 3.45Å; R708-V712 VanDerWaalsContact O-CG2 3.31Å; R708-V712 WeakPolarHBondContact O-CG2 3.35Å; R708-V712 PolarHBondContact O-N 3.36Å; R708-Y765 HydrophobicContact CB-CE1 4.09Å; R708-Y765 HydrophobicContact CG-CD1 3.92Å; R708-Y765 HydrophobicContact CG-CE1 3.84Å; R708-Y765 HydrophobicContact CG-CG 4.44Å; R708-Y765 VanDerWaalsContact NE-CZ 3.35Å; R708-Y765 PolarHBondContact NH2-OH 2.79Å; R708-W776 HydrophobicContact CB-CH2 4.43Å; R708-W776 HydrophobicContact CG-CH2 3.48Å; R708-W776 VanDerWaalsContact CG-CH2 3.48Å; R708-W776 HydrophobicContact CG-CZ2 4.43Å; R708-W776 HydrophobicContact CG-CZ3 3.91Å; R708-R796 VanDerWaalsContact NH1-NH1 3.12Å
709	L	97.9	Very high	95.1	Very high	17 Å²	17	20.2 Å²	20.2	9%	0.089	11%	0.107	C	C	.	.	H	α-helix	trans	-58.7	-54.6	176.4	-72.9	164.2	0	0	0	110.8	V568 L571 A572 L575 P705 L706 L711 V712 E713	V568-L709 HydrophobicContact CG1-CD1 4.27Å; L571-L709 HydrophobicContact CB-CD1 4.15Å; L571-L709 HydrophobicContact CB-CD2 4.14Å; A572-L709 HydrophobicContact CB-CG 4.46Å; L575-L709 HydrophobicContact CD1-CD2 3.91Å; L575-L709 HydrophobicContact CD1-CG 4.05Å; L575-L709 HydrophobicContact CD2-CD2 4.19Å; L575-L709 HydrophobicContact CG-CD2 4.19Å; P705-L709 WeakPolarHBondContact O-CG 3.45Å; P705-L709 PolarHBondContact O-N 2.88Å; L706-L709 HydrophobicContact CD2-CD1 4.49Å; L706-L709 PolarHBondContact O-N 3.25Å; L709-L711 VanDerWaalsContact C-N 3.28Å; L709-L711 PolarHBondContact O-N 2.82Å; L709-V712 PolarHBondContact O-N 3.02Å; L709-E713 VanDerWaalsContact O-CB 3.31Å; L709-E713 WeakPolarHBondContact O-CB 3.29Å; L709-E713 WeakPolarHBondContact O-CG 3.42Å; L709-E713 PolarHBondContact O-N 3.15Å
710	A	97.8	Very high	95.2	Very high	6 Å²	6	19.2 Å²	19.2	5%	0.05	11%	0.107	C	C	.	.	H	α-helix	trans	-58.7	-39.6	178.8	0	0	0	0	0	112.4	V695 L706 N714 I717	V695-A710 HydrophobicContact CG1-CB 4.36Å; V695-A710 HydrophobicContact CG2-CB 4.14Å; L706-A710 WeakPolarHBondContact O-CB 3.45Å; L706-A710 PolarHBondContact O-N 2.97Å; A710-N714 WeakPolarHBondContact O-CA 3.37Å; A710-N714 VanDerWaalsContact O-CB 3.31Å; A710-N714 WeakPolarHBondContact O-CB 3.04Å; A710-N714 PolarHBondContact O-N 3.06Å; A710-I717 HydrophobicContact CB-CG2 4.26Å
711	L	98.6	Very high	95.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.6	-48	178.4	179	69.9	0	0	0	112.3	W581 M707 R708 L709 G715 I762 Y765 W776	W581-L711 PolarHBondContact NE1-O 3.33Å; M707-L711 WeakPolarHBondContact O-CB 3.31Å; M707-L711 PolarHBondContact O-N 3.05Å; R708-L711 PolarHBondContact O-N 3.38Å; L709-L711 VanDerWaalsContact C-N 3.28Å; L709-L711 PolarHBondContact O-N 2.82Å; L711-G715 WeakPolarHBondContact CA-O 3.5Å; L711-G715 CarbonylContact O-C 3.51Å; L711-G715 WeakPolarHBondContact O-CA 3.42Å; L711-G715 PolarHBondContact O-N 3.23Å; L711-G715 VanDerWaalsContact O-N 3.12Å; L711-I762 HydrophobicContact CD1-CG2 4.28Å; L711-I762 WeakPolarHBondContact CD1-O 3.18Å; L711-I762 HydrophobicContact CD2-CG2 3.9Å; L711-Y765 HydrophobicContact CD2-CD1 3.73Å; L711-Y765 HydrophobicContact CD2-CE1 4.19Å; L711-W776 HydrophobicContact CD2-CZ3 4.09Å
712	V	98.2	Very high	95.3	Very high	30 Å²	30	18.6 Å²	18.6	18%	0.182	10%	0.098	C	C	.	.	H	α-helix	trans	-72.9	-41.7	-176.6	174.4	0	0	0	0	111.1	L575 F579 R708 L709 Y765	L575-V712 HydrophobicContact CD1-CG2 4.44Å; L575-V712 HydrophobicContact CD2-CB 4.09Å; L575-V712 HydrophobicContact CD2-CG1 4Å; L575-V712 HydrophobicContact CD2-CG2 4.24Å; F579-V712 HydrophobicContact CB-CG2 4.39Å; F579-V712 HydrophobicContact CD1-CG2 3.78Å; F579-V712 HydrophobicContact CD2-CG1 4.49Å; F579-V712 HydrophobicContact CD2-CG2 4.17Å; F579-V712 HydrophobicContact CE1-CB 4.41Å; F579-V712 HydrophobicContact CE1-CG2 4.01Å; F579-V712 HydrophobicContact CE2-CG1 4.14Å; F579-V712 HydrophobicContact CE2-CG2 4.41Å; F579-V712 HydrophobicContact CG-CG2 3.85Å; F579-V712 HydrophobicContact CZ-CB 4.44Å; F579-V712 HydrophobicContact CZ-CG1 4.24Å; F579-V712 HydrophobicContact CZ-CG2 4.33Å; R708-V712 WeakPolarHBondContact O-CB 3.45Å; R708-V712 VanDerWaalsContact O-CG2 3.31Å; R708-V712 WeakPolarHBondContact O-CG2 3.35Å; R708-V712 PolarHBondContact O-N 3.36Å; L709-V712 PolarHBondContact O-N 3.02Å; V712-Y765 HydrophobicContact CG2-CE1 3.87Å
713	E	94.8	Very high	95	Very high	132 Å²	132	18.8 Å²	18.8	62%	0.617	10%	0.099	S	C	*	.	H	α-helix	trans	-75.5	-45	-177.3	-67.8	177.9	171.1	0	0	112.3	L709	L709-E713 VanDerWaalsContact O-CB 3.31Å; L709-E713 WeakPolarHBondContact O-CB 3.29Å; L709-E713 WeakPolarHBondContact O-CG 3.42Å; L709-E713 PolarHBondContact O-N 3.15Å
714	N	95.4	Very high	94.6	Very high	68 Å²	68	20.3 Å²	20.3	36%	0.364	11%	0.106	S	C	.	.	H	α-helix	trans	-113.4	-9.6	-165.7	-56.5	-34.9	0	0	0	114.3	R614 A710 E809	R614-N714 WeakPolarHBondContact CG-O 3.35Å; R614-N714 VanDerWaalsContact CZ-O 3.26Å; R614-N714 PolarHBondContact NE-O 3.43Å; A710-N714 WeakPolarHBondContact O-CA 3.37Å; A710-N714 VanDerWaalsContact O-CB 3.31Å; A710-N714 WeakPolarHBondContact O-CB 3.04Å; A710-N714 PolarHBondContact O-N 3.06Å; N714-E809 PolarHBondContact ND2-OE2 3.29Å
715	G	98	Very high	93.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.			trans	102.1	-179.1	-175.8	0	0	0	0	0	114.3	R614 I617 L711	R614-G715 PolarHBondContact NH2-O 3.12Å; R614-G715 VanDerWaalsContact NH2-O 3.13Å; I617-G715 VanDerWaalsContact CD1-CA 3.46Å; L711-G715 WeakPolarHBondContact CA-O 3.5Å; L711-G715 CarbonylContact O-C 3.51Å; L711-G715 WeakPolarHBondContact O-CA 3.42Å; L711-G715 PolarHBondContact O-N 3.23Å; L711-G715 VanDerWaalsContact O-N 3.12Å
716	P	98.7	Very high	93.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.			trans	-46.4	147.5	-179.7	-32.2	39.6	0	0	0	114.2	W581 M610 R614 V761 I762 V763	W581-P716 HydrophobicContact CB-CG 4.26Å; W581-P716 HydrophobicContact CG-CG 4.08Å; M610-P716 WeakPolarHBondContact CG-O 3.45Å; R614-P716 PolarHBondContact NE-O 3.44Å; R614-P716 PolarHBondContact NH2-O 2.78Å; P716-V761 HydrophobicContact CB-CG1 3.64Å; P716-I762 VanDerWaalsContact CA-O 3.29Å; P716-I762 WeakPolarHBondContact CA-O 3.48Å; P716-I762 WeakPolarHBondContact CB-O 3.21Å; P716-V763 HydrophobicContact CB-CG1 4.17Å; P716-V763 HydrophobicContact CG-CB 4.46Å; P716-V763 HydrophobicContact CG-CG1 4.16Å
717	I	98.6	Very high	93.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.9	-178	60.1	-179.6	0	0	0	110.6	M707 A710 V761 I762 A807 E809	M707-I717 HydrophobicContact CB-CD1 3.77Å; M707-I717 HydrophobicContact CE-CD1 4.23Å; M707-I717 HydrophobicContact CG-CD1 3.99Å; A710-I717 HydrophobicContact CB-CG2 4.26Å; I717-V761 CarbonylContact O-C 3.46Å; I717-V761 WeakPolarHBondContact O-CA 3.22Å; I717-V761 WeakPolarHBondContact O-CG1 3.42Å; I717-I762 HydrophobicContact CG1-CB 3.98Å; I717-I762 PolarHBondContact N-O 3.08Å; I717-I762 PolarHBondContact O-N 2.84Å; I717-A807 HydrophobicContact CD1-CB 4.03Å; I717-E809 HydrophobicContact CG2-CB 4.22Å
718	V	98.4	Very high	93.1	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	136.8	175.1	-176.4	0	0	0	0	109.7	A606 M610 P647 A759 V760 V761 A807 F808	A606-V718 HydrophobicContact CB-CG1 3.61Å; A606-V718 HydrophobicContact CB-CG2 4.19Å; A606-V718 WeakPolarHBondContact O-CG2 3.26Å; M610-V718 HydrophobicContact CB-CG2 3.66Å; M610-V718 HydrophobicContact CG-CG2 4.11Å; M610-V718 HydrophobicContact SD-CG2 3.8Å; P647-V718 HydrophobicContact CB-CB 4.06Å; P647-V718 HydrophobicContact CB-CG1 3.48Å; P647-V718 VanDerWaalsContact CB-CG1 3.48Å; P647-V718 HydrophobicContact CG-CG1 3.48Å; P647-V718 VanDerWaalsContact CG-CG1 3.48Å; V718-A759 HydrophobicContact CG1-CB 4.38Å; V718-V760 WeakPolarHBondContact CA-O 3.43Å; V718-V761 HydrophobicContact CG2-CG2 4.34Å; V718-A807 CarbonylContact O-C 3.28Å; V718-A807 VanDerWaalsContact O-CA 3.27Å; V718-A807 WeakPolarHBondContact O-CA 3.33Å; V718-F808 HydrophobicContact CB-CB 4.41Å; V718-F808 HydrophobicContact CB-CD1 4.11Å; V718-F808 HydrophobicContact CG2-CD1 4.2Å; V718-F808 PolarHBondContact N-O 3.14Å; V718-F808 PolarHBondContact O-N 3.09Å
719	V	95.3	Very high	92.9	Very high	1 Å²	1	18 Å²	18	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.4	175.9	-63.5	0	0	0	0	110.9	M707 A759 V760 I762 I803 A807	M707-V719 HydrophobicContact CE-CG1 3.75Å; V719-A759 WeakPolarHBondContact O-CA 2.77Å; V719-V760 HydrophobicContact CG2-CG2 3.54Å; V719-V760 PolarHBondContact N-O 3.13Å; V719-V760 PolarHBondContact O-N 3.22Å; V719-I762 HydrophobicContact CB-CD1 4.42Å; V719-I762 HydrophobicContact CG1-CD1 3.59Å; V719-I762 HydrophobicContact CG1-CG1 4Å; V719-I762 HydrophobicContact CG2-CD1 4.02Å; V719-I762 HydrophobicContact CG2-CG1 3.82Å; V719-I803 HydrophobicContact CB-CG1 4.05Å; V719-I803 HydrophobicContact CG2-CD1 3.94Å; V719-I803 HydrophobicContact CG2-CG1 3.45Å; V719-I803 VanDerWaalsContact CG2-CG1 3.45Å; V719-A807 HydrophobicContact CG1-CB 3.73Å
720	G	89.4	Confident	92.9	Very high	13 Å²	13	17.2 Å²	17.2	13%	0.134	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	140.9	164.3	0	0	0	0	0	110.7	T756 H758 I803 S806	G720-T756 VanDerWaalsContact C-CB 3.43Å; G720-T756 VanDerWaalsContact C-CG2 3.41Å; G720-T756 VanDerWaalsContact O-CG2 3.31Å; G720-T756 WeakPolarHBondContact O-CG2 3.25Å; G720-H758 CarbonylContact C-O 3.51Å; G720-H758 WeakPolarHBondContact CA-O 3.49Å; G720-I803 WeakPolarHBondContact O-CA 3.1Å; G720-S806 PolarHBondContact N-O 3.38Å
721	M	88.5	Confident	93	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	159.4	167	67.5	172.4	-69.2	0	0	111.3	V723 F727 T756 N757 H758 V760 F792 I794 C801 I803	M721-V723 HydrophobicContact CE-CG2 4.43Å; M721-V723 HydrophobicContact CG-CG2 4.46Å; M721-F727 HydrophobicContact CE-CD2 4.25Å; M721-F727 HydrophobicContact CE-CE1 4.38Å; M721-F727 HydrophobicContact CE-CE2 4Å; M721-F727 HydrophobicContact CE-CZ 4.05Å; M721-F727 HydrophobicContact SD-CZ 4.2Å; M721-T756 VanDerWaalsContact C-CA 3.49Å; M721-T756 CarbonylContact O-C 3.45Å; M721-T756 VanDerWaalsContact O-CA 3.29Å; M721-T756 WeakPolarHBondContact O-CA 3.42Å; M721-N757 PolarHBondContact O-N 3.3Å; M721-N757 VanDerWaalsContact O-N 3.07Å; M721-N757 PolarHBondContact O-OD1 3.01Å; M721-H758 HydrophobicContact CG-CB 4.33Å; M721-H758 PolarHBondContact N-O 2.61Å; M721-H758 PolarHBondContact O-N 2.78Å; M721-V760 HydrophobicContact CG-CG2 4.24Å; M721-V760 HydrophobicContact SD-CG1 4.49Å; M721-V760 HydrophobicContact SD-CG2 4.12Å; M721-F792 HydrophobicContact CE-CE2 4.45Å; M721-F792 HydrophobicContact CE-CZ 4.5Å; M721-F792 HydrophobicContact SD-CE2 4Å; M721-F792 HydrophobicContact SD-CZ 3.53Å; M721-F792 VanDerWaalsContact SD-CZ 3.53Å; M721-I794 HydrophobicContact CE-CD1 4.15Å; M721-C801 HydrophobicContact CB-CB 4.48Å; M721-C801 HydrophobicContact CE-CB 4.03Å; M721-I803 HydrophobicContact CB-CB 4.24Å; M721-I803 HydrophobicContact CB-CG1 4.28Å
722	N	83.3	Confident	92.9	Very high	9 Å²	9	22 Å²	22	5%	0.048	12%	0.116	C	C	.	.			trans	-87.4	124.1	169.5	-169.3	27.8	0	0	0	110.1	F724 E754 I755 N757 C801	N722-F724 HydrophobicContact CB-CE2 4.13Å; N722-F724 HydrophobicContact CB-CZ 4.44Å; N722-F724 VanDerWaalsContact ND2-CE1 3.26Å; N722-F724 WeakPolarHBondContact ND2-CE1 3.31Å; N722-F724 WeakPolarHBondContact ND2-CE2 3.27Å; N722-F724 WeakPolarHBondContact ND2-CZ 3.12Å; N722-E754 WeakPolarHBondContact ND2-CB 3.43Å; N722-E754 PolarHBondContact ND2-OE2 3.5Å; N722-I755 VanDerWaalsContact CB-O 3.26Å; N722-I755 WeakPolarHBondContact CB-O 3.47Å; N722-I755 PolarHBondContact OD1-O 2.57Å; N722-N757 WeakPolarHBondContact CA-OD1 3.44Å; N722-N757 PolarHBondContact OD1-ND2 3.42Å; N722-C801 PolarHBondContact N-O 3.43Å; N722-C801 WeakPolarHBondContact O-CB 3.35Å
723	V	83.9	Confident	92.9	Very high	6 Å²	6	21.2 Å²	21.2	4%	0.036	11%	0.114	C	C	.	.			trans	-93.3	109.4	175.1	172.8	0	0	0	0	109.3	M548 M721 F727 N757 H758 W782	M548-V723 HydrophobicContact CB-CB 4.23Å; M548-V723 HydrophobicContact CB-CG1 3.86Å; M548-V723 HydrophobicContact CE-CG1 3.74Å; M548-V723 WeakPolarHBondContact CE-O 3.42Å; M548-V723 HydrophobicContact CG-CG1 3.74Å; M721-V723 HydrophobicContact CE-CG2 4.43Å; M721-V723 HydrophobicContact CG-CG2 4.46Å; V723-F727 HydrophobicContact CB-CD1 4.4Å; V723-F727 HydrophobicContact CG1-CB 4.26Å; V723-F727 HydrophobicContact CG1-CD1 3.76Å; V723-F727 HydrophobicContact CG1-CG 4.43Å; V723-F727 HydrophobicContact CG2-CD1 3.96Å; V723-F727 HydrophobicContact CG2-CE1 4.17Å; V723-N757 PolarHBondContact N-OD1 3.46Å; V723-H758 HydrophobicContact CB-CB 4.39Å; V723-H758 HydrophobicContact CG2-CB 3.37Å; V723-W782 HydrophobicContact CG1-CH2 4.05Å
724	F	83.8	Confident	93.1	Very high	36 Å²	36	15.1 Å²	15.1	16%	0.158	9%	0.086	C	C	.	.			trans	-84.7	171.3	172	-64.2	-83	0	0	0	111.5	N722 D726 F727 H737 E754 C801	N722-F724 HydrophobicContact CB-CE2 4.13Å; N722-F724 HydrophobicContact CB-CZ 4.44Å; N722-F724 VanDerWaalsContact ND2-CE1 3.26Å; N722-F724 WeakPolarHBondContact ND2-CE1 3.31Å; N722-F724 WeakPolarHBondContact ND2-CE2 3.27Å; N722-F724 WeakPolarHBondContact ND2-CZ 3.12Å; F724-D726 VanDerWaalsContact CB-OD1 3.27Å; F724-D726 WeakPolarHBondContact CB-OD1 3.15Å; F724-F727 WeakPolarHBondContact O-CB 3.22Å; F724-F727 PolarHBondContact O-N 2.87Å; F724-H737 VanDerWaalsContact CB-CE1 3.44Å; F724-H737 WeakPolarHBondContact CB-CE1 3.39Å; F724-H737 VanDerWaalsContact CB-ND1 3.26Å; F724-H737 WeakPolarHBondContact CB-ND1 3.33Å; F724-H737 AromaticContact CD1-CD2 3.84Å; F724-H737 AromaticContact CD1-CE1 3.48Å; F724-H737 VanDerWaalsContact CD1-CE1 3.48Å; F724-H737 WeakPolarHBondContact CD1-CE1 3.3Å; F724-H737 AromaticContact CD1-ND1 3.84Å; F724-H737 AromaticContact CD1-NE2 3.5Å; F724-H737 WeakPolarHBondContact CD1-NE2 3.18Å; F724-H737 HydrophobicContact CD2-CB 3.83Å; F724-H737 AromaticContact CD2-CD2 3.95Å; F724-H737 AromaticContact CD2-CG 3.51Å; F724-H737 AromaticContact CD2-ND1 3.65Å; F724-H737 AromaticContact CE1-CD2 3.82Å; F724-H737 AromaticContact CE1-NE2 3.76Å; F724-H737 HydrophobicContact CE2-CB 4.04Å; F724-H737 AromaticContact CE2-CD2 3.94Å; F724-H737 AromaticContact CE2-CG 3.84Å; F724-H737 HydrophobicContact CG-CB 4.41Å; F724-H737 AromaticContact CG-CD2 3.89Å; F724-H737 AromaticContact CG-CE1 3.43Å; F724-H737 VanDerWaalsContact CG-CE1 3.43Å; F724-H737 WeakPolarHBondContact CG-CE1 3.37Å; F724-H737 AromaticContact CG-CG 3.61Å; F724-H737 AromaticContact CG-ND1 3.31Å; F724-H737 VanDerWaalsContact CG-ND1 3.31Å; F724-H737 WeakPolarHBondContact CG-ND1 3.16Å; F724-H737 AromaticContact CG-NE2 3.81Å; F724-H737 AromaticContact CZ-CD2 3.87Å; F724-E754 WeakPolarHBondContact CE1-OE2 3.42Å; F724-C801 HydrophobicContact CE2-CB 4.27Å; F724-C801 VanDerWaalsContact CE2-SG 3.59Å
725	D	82.8	Confident	93.2	Very high	51 Å²	51	11.9 Å²	11.9	27%	0.273	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-31.8	-177.6	49.5	8.2	0	0	0	114	F517 L728 H729 K741	F517-D725 HydrophobicContact CE1-CB 4.39Å; D725-L728 WeakPolarHBondContact O-CB 3.34Å; D725-H729 PolarHBondContact O-CD2 2.62Å; D725-K741 HydrophobicContact CB-CD 4.46Å; D725-K741 WeakPolarHBondContact OD2-CB 3.31Å; D725-K741 WeakPolarHBondContact OD2-CD 3.29Å; D725-K741 WeakPolarHBondContact OD2-CG 3.49Å
726	D	89.4	Confident	93	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-33.8	172.9	55.2	-0.7	0	0	0	112.8	F517 I521 W528 F724 L728 H729 Y735 H737 T738	F517-D726 HydrophobicContact CE1-CB 4.09Å; F517-D726 HydrophobicContact CZ-CB 3.85Å; I521-D726 HydrophobicContact CD1-CB 3.63Å; I521-D726 HydrophobicContact CG1-CB 4.26Å; W528-D726 HydrophobicContact CH2-CB 3.97Å; W528-D726 WeakPolarHBondContact CH2-O 3.28Å; W528-D726 HydrophobicContact CZ2-CB 4.13Å; F724-D726 VanDerWaalsContact CB-OD1 3.27Å; F724-D726 WeakPolarHBondContact CB-OD1 3.15Å; D726-L728 PolarHBondContact O-N 3.24Å; D726-H729 WeakPolarHBondContact O-CB 3.33Å; D726-H729 PolarHBondContact O-N 3.39Å; D726-Y735 PolarHBondContact OD1-OH 3.38Å; D726-H737 IonicContact OD1-CE1 2.7Å; D726-H737 IonicContact OD1-ND1 3.15Å; D726-H737 PolarHBondContact OD1-ND1 3.26Å; D726-H737 IonicContact OD2-CE1 3.87Å; D726-H737 IonicContact OD2-CG 2.65Å; D726-H737 IonicContact OD2-ND1 3.87Å; D726-H737 PolarHBondContact OD2-ND1 3.44Å; D726-T738 WeakPolarHBondContact OD2-CB 3.33Å; D726-T738 PolarHBondContact OD2-N 3.25Å; D726-T738 PolarHBondContact OD2-OG1 3.1Å
727	F	93	Very high	92.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-58.7	-31.6	176.6	-170.8	-106.4	0	0	0	113.5	M721 V723 F724 H729 Y730 Y735 W782 W786 F792	M721-F727 HydrophobicContact CE-CD2 4.25Å; M721-F727 HydrophobicContact CE-CE1 4.38Å; M721-F727 HydrophobicContact CE-CE2 4Å; M721-F727 HydrophobicContact CE-CZ 4.05Å; M721-F727 HydrophobicContact SD-CZ 4.2Å; V723-F727 HydrophobicContact CB-CD1 4.4Å; V723-F727 HydrophobicContact CG1-CB 4.26Å; V723-F727 HydrophobicContact CG1-CD1 3.76Å; V723-F727 HydrophobicContact CG1-CG 4.43Å; V723-F727 HydrophobicContact CG2-CD1 3.96Å; V723-F727 HydrophobicContact CG2-CE1 4.17Å; F724-F727 WeakPolarHBondContact O-CB 3.22Å; F724-F727 PolarHBondContact O-N 2.87Å; F727-H729 PolarHBondContact O-N 2.8Å; F727-Y730 WeakPolarHBondContact O-CB 3.3Å; F727-Y730 PolarHBondContact O-N 2.82Å; F727-Y730 VanDerWaalsContact O-N 3.13Å; F727-Y735 HydrophobicContact CB-CE1 4.47Å; F727-Y735 HydrophobicContact CB-CE2 4.03Å; F727-Y735 AromaticContact CD2-CD1 3.79Å; F727-Y735 HydrophobicContact CD2-CD1 3.79Å; F727-Y735 AromaticContact CD2-CD2 3.92Å; F727-Y735 HydrophobicContact CD2-CD2 3.92Å; F727-Y735 AromaticContact CD2-CE1 3.63Å; F727-Y735 HydrophobicContact CD2-CE1 3.63Å; F727-Y735 AromaticContact CD2-CE2 3.78Å; F727-Y735 HydrophobicContact CD2-CE2 3.78Å; F727-Y735 AromaticContact CD2-CG 3.94Å; F727-Y735 HydrophobicContact CD2-CG 3.94Å; F727-Y735 AromaticContact CD2-CZ 3.63Å; F727-Y735 HydrophobicContact CE2-CD1 4.14Å; F727-Y735 HydrophobicContact CE2-CE1 4.34Å; F727-Y735 HydrophobicContact CE2-CG 4.3Å; F727-Y735 HydrophobicContact CG-CE1 4.44Å; F727-Y735 HydrophobicContact CG-CE2 4.41Å; F727-W782 AromaticContact CD1-CH2 3.74Å; F727-W782 HydrophobicContact CD1-CH2 3.74Å; F727-W782 HydrophobicContact CD1-CZ3 4.01Å; F727-W782 AromaticContact CE1-CH2 3.84Å; F727-W782 HydrophobicContact CE1-CH2 3.84Å; F727-W782 HydrophobicContact CE1-CZ3 4Å; F727-W786 HydrophobicContact CD1-CZ2 4.23Å; F727-W786 AromaticContact CE1-CH2 3.77Å; F727-W786 HydrophobicContact CE1-CH2 3.77Å; F727-W786 AromaticContact CE1-CZ2 3.82Å; F727-W786 HydrophobicContact CE1-CZ2 3.82Å; F727-W786 HydrophobicContact CE2-CH2 4.04Å; F727-W786 HydrophobicContact CE2-CZ2 4.36Å; F727-W786 AromaticContact CZ-CH2 3.47Å; F727-W786 HydrophobicContact CZ-CH2 3.47Å; F727-W786 VanDerWaalsContact CZ-CH2 3.47Å; F727-W786 AromaticContact CZ-CZ2 3.91Å; F727-W786 HydrophobicContact CZ-CZ2 3.91Å; F727-F792 HydrophobicContact CE2-CD1 4.4Å; F727-F792 AromaticContact CE2-CD2 3.67Å; F727-F792 HydrophobicContact CE2-CD2 3.67Å; F727-F792 HydrophobicContact CE2-CE1 4.47Å; F727-F792 AromaticContact CE2-CE2 3.75Å; F727-F792 HydrophobicContact CE2-CE2 3.75Å; F727-F792 HydrophobicContact CE2-CG 4Å; F727-F792 HydrophobicContact CE2-CZ 4.15Å; F727-F792 AromaticContact CZ-CD1 3.89Å; F727-F792 HydrophobicContact CZ-CD1 3.89Å; F727-F792 AromaticContact CZ-CD2 3.93Å; F727-F792 HydrophobicContact CZ-CD2 3.93Å; F727-F792 AromaticContact CZ-CE1 3.76Å; F727-F792 HydrophobicContact CZ-CE1 3.76Å; F727-F792 AromaticContact CZ-CE2 3.81Å; F727-F792 HydrophobicContact CZ-CE2 3.81Å; F727-F792 AromaticContact CZ-CG 3.96Å; F727-F792 HydrophobicContact CZ-CG 3.96Å; F727-F792 AromaticContact CZ-CZ 3.71Å; F727-F792 HydrophobicContact CZ-CZ 3.71Å
728	L	90.7	Very high	92.2	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.031	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-54.3	-29.2	174.4	-70.7	174.3	0	0	0	112.2	Y511 Y533 F536 I544 M548 D725 D726 W782 W786	Y511-L728 HydrophobicContact CE2-CD1 4.02Å; Y533-L728 WeakPolarHBondContact CD2-O 3.45Å; F536-L728 HydrophobicContact CE2-CD2 4.49Å; I544-L728 HydrophobicContact CG2-CD1 4.08Å; I544-L728 HydrophobicContact CG2-CD2 4.35Å; M548-L728 HydrophobicContact CE-CD1 4.26Å; M548-L728 HydrophobicContact CE-CG 4.32Å; M548-L728 HydrophobicContact CG-CD2 3.71Å; M548-L728 HydrophobicContact CG-CG 4.43Å; M548-L728 HydrophobicContact SD-CD1 3.87Å; M548-L728 HydrophobicContact SD-CD2 3.96Å; M548-L728 HydrophobicContact SD-CG 4.15Å; D725-L728 WeakPolarHBondContact O-CB 3.34Å; D726-L728 PolarHBondContact O-N 3.24Å; L728-W782 HydrophobicContact CD2-CH2 3.98Å; L728-W782 HydrophobicContact CD2-CZ3 4.21Å; L728-W786 PolarHBondContact O-NE1 3Å
729	H	95.1	Very high	91.5	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.014	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-97.1	-1	-174.1	-56.4	-56.6	0	0	0	113.8	Y511 F517 I518 A530 T531 D725 D726 F727 K731	Y511-H729 PolarHBondContact OH-CE1 3.42Å; Y511-H729 PolarHBondContact OH-NE2 3.24Å; F517-H729 AromaticContact CD1-CD2 3.86Å; F517-H729 AromaticContact CD1-NE2 3.89Å; F517-H729 AromaticContact CE1-CD2 3.95Å; I518-H729 HydrophobicContact CG1-CB 4.18Å; A530-H729 CarbonylContact C-O 3.48Å; A530-H729 VanDerWaalsContact CA-O 3.23Å; A530-H729 WeakPolarHBondContact CA-O 3.3Å; A530-H729 HydrophobicContact CB-CB 3.97Å; T531-H729 PolarHBondContact N-O 3.42Å; T531-H729 WeakPolarHBondContact O-CA 3.19Å; T531-H729 WeakPolarHBondContact O-CB 3.05Å; T531-H729 PolarHBondContact O-ND1 2.69Å; D725-H729 PolarHBondContact O-CD2 2.62Å; D726-H729 WeakPolarHBondContact O-CB 3.33Å; D726-H729 PolarHBondContact O-N 3.39Å; F727-H729 PolarHBondContact O-N 2.8Å; H729-K731 PolarHBondContact O-N 2.66Å
730	Y	98	Very high	90.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	127.9	-178.4	174.9	-90.9	0	0	0	112.5	W528 Y533 F727 G733 Y735 W786 E788 F792 R793	W528-Y730 HydrophobicContact CB-CD2 4.18Å; W528-Y730 HydrophobicContact CB-CE2 4Å; W528-Y730 HydrophobicContact CD2-CD2 4.2Å; W528-Y730 AromaticContact CE3-CD2 3.78Å; W528-Y730 HydrophobicContact CE3-CD2 3.78Å; W528-Y730 HydrophobicContact CE3-CG 4.47Å; W528-Y730 HydrophobicContact CG-CD2 4.4Å; W528-Y730 HydrophobicContact CZ3-CD2 4.48Å; Y533-Y730 WeakPolarHBondContact CE2-O 3.05Å; Y533-Y730 PolarHBondContact OH-O 3.28Å; F727-Y730 WeakPolarHBondContact O-CB 3.3Å; F727-Y730 PolarHBondContact O-N 2.82Å; F727-Y730 VanDerWaalsContact O-N 3.13Å; Y730-G733 VanDerWaalsContact CE2-O 3.29Å; Y730-G733 WeakPolarHBondContact CE2-O 3.17Å; Y730-G733 PolarHBondContact OH-N 2.64Å; Y730-G733 PolarHBondContact OH-O 2.79Å; Y730-Y735 HydrophobicContact CD2-CD2 4.1Å; Y730-Y735 HydrophobicContact CD2-CG 4.36Å; Y730-W786 AromaticContact CD1-CH2 3.87Å; Y730-W786 HydrophobicContact CD1-CH2 3.87Å; Y730-W786 HydrophobicContact CD1-CZ2 4.07Å; Y730-W786 HydrophobicContact CD1-CZ3 4.37Å; Y730-W786 HydrophobicContact CG-CH2 4.48Å; Y730-W786 HydrophobicContact CG-CZ2 4.41Å; Y730-E788 HydrophobicContact CE1-CG 4.28Å; Y730-E788 PolarHBondContact OH-OE1 3.14Å; Y730-F792 HydrophobicContact CD1-CB 3.68Å; Y730-F792 HydrophobicContact CE1-CB 3.21Å; Y730-F792 HydrophobicContact CE2-CB 4.41Å; Y730-F792 HydrophobicContact CG-CB 4.45Å; Y730-R793 PolarHBondContact OH-N 3.17Å
731	K	98.4	Very high	89.8	Confident	88 Å²	88	25.3 Å²	25.3	38%	0.383	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-32.9	175.7	-173.1	49.7	-180	165.1	0	113.9	K529 T531 Y533 H729 G787	K529-K731 VanDerWaalsContact O-CB 3.29Å; K529-K731 WeakPolarHBondContact O-CB 3.37Å; K529-K731 PolarHBondContact O-N 3.4Å; T531-K731 HydrophobicContact CG2-CB 3.74Å; T531-K731 HydrophobicContact CG2-CD 3.95Å; T531-K731 HydrophobicContact CG2-CG 3.99Å; Y533-K731 WeakPolarHBondContact OH-CD 3.36Å; H729-K731 PolarHBondContact O-N 2.66Å; K731-G787 CarbonylContact O-C 3.58Å
732	G	97.8	Very high	88.6	Confident	17 Å²	17	30 Å²	30	18%	0.175	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.1	161.7	-178.5	0	0	0	0	0	112.2	W528 K529 E788	W528-G732 CarbonylContact C-O 3.13Å; W528-G732 WeakPolarHBondContact CA-O 3.33Å; W528-G732 WeakPolarHBondContact CB-O 3.44Å; K529-G732 PolarHBondContact N-O 3.29Å; G732-E788 WeakPolarHBondContact CA-OE1 3.32Å
733	G	97.6	Very high	86.7	Confident	15 Å²	15	35.6 Å²	35.6	16%	0.155	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.8	-168.2	-173.7	0	0	0	0	0	112.9	N527 Y730 E788	N527-G733 CarbonylContact O-C 3.56Å; N527-G733 WeakPolarHBondContact O-CA 3.28Å; Y730-G733 VanDerWaalsContact CE2-O 3.29Å; Y730-G733 WeakPolarHBondContact CE2-O 3.17Å; Y730-G733 PolarHBondContact OH-N 2.64Å; Y730-G733 PolarHBondContact OH-O 2.79Å; G733-E788 PolarHBondContact N-OE1 3.4Å
734	I	98.3	Very high	84.6	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.015	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	104.8	-177.7	-59.7	166.9	0	0	0	109.6	N527 D768 M773 Y775 R793 R795	N527-I734 PolarHBondContact O-N 3.33Å; I734-D768 HydrophobicContact CD1-CB 3.57Å; I734-M773 HydrophobicContact CB-CE 4.44Å; I734-M773 HydrophobicContact CD1-CB 3.78Å; I734-M773 HydrophobicContact CD1-CE 4.09Å; I734-Y775 HydrophobicContact CD1-CD1 3.73Å; I734-Y775 HydrophobicContact CD1-CG 4.3Å; I734-Y775 HydrophobicContact CG1-CD1 4.15Å; I734-Y775 HydrophobicContact CG1-CG 4.29Å; I734-R793 HydrophobicContact CG1-CB 4.35Å; I734-R795 HydrophobicContact CG2-CG 3.74Å
735	Y	98.1	Very high	82.4	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	138.1	-177.2	178	-101.3	0	0	0	112.4	W528 D726 F727 Y730 R793 I794 R795	W528-Y735 AromaticContact CD2-CD2 3.95Å; W528-Y735 HydrophobicContact CD2-CD2 3.95Å; W528-Y735 AromaticContact CE2-CD2 3.66Å; W528-Y735 AromaticContact CE2-CE2 3.98Å; W528-Y735 HydrophobicContact CE3-CD2 4.37Å; W528-Y735 HydrophobicContact CG-CD2 4.39Å; W528-Y735 HydrophobicContact CH2-CD2 4.25Å; W528-Y735 HydrophobicContact CH2-CE2 4.08Å; W528-Y735 AromaticContact CZ2-CD2 3.83Å; W528-Y735 HydrophobicContact CZ2-CD2 3.83Å; W528-Y735 AromaticContact CZ2-CE2 3.67Å; W528-Y735 HydrophobicContact CZ2-CE2 3.67Å; W528-Y735 AromaticContact NE1-CD2 3.94Å; D726-Y735 PolarHBondContact OD1-OH 3.38Å; F727-Y735 HydrophobicContact CB-CE1 4.47Å; F727-Y735 HydrophobicContact CB-CE2 4.03Å; F727-Y735 AromaticContact CD2-CD1 3.79Å; F727-Y735 HydrophobicContact CD2-CD1 3.79Å; F727-Y735 AromaticContact CD2-CD2 3.92Å; F727-Y735 HydrophobicContact CD2-CD2 3.92Å; F727-Y735 AromaticContact CD2-CE1 3.63Å; F727-Y735 HydrophobicContact CD2-CE1 3.63Å; F727-Y735 AromaticContact CD2-CE2 3.78Å; F727-Y735 HydrophobicContact CD2-CE2 3.78Å; F727-Y735 AromaticContact CD2-CG 3.94Å; F727-Y735 HydrophobicContact CD2-CG 3.94Å; F727-Y735 AromaticContact CD2-CZ 3.63Å; F727-Y735 HydrophobicContact CE2-CD1 4.14Å; F727-Y735 HydrophobicContact CE2-CE1 4.34Å; F727-Y735 HydrophobicContact CE2-CG 4.3Å; F727-Y735 HydrophobicContact CG-CE1 4.44Å; F727-Y735 HydrophobicContact CG-CE2 4.41Å; Y730-Y735 HydrophobicContact CD2-CD2 4.1Å; Y730-Y735 HydrophobicContact CD2-CG 4.36Å; Y735-R793 VanDerWaalsContact CB-O 3.27Å; Y735-R793 WeakPolarHBondContact CB-O 3.2Å; Y735-R793 PolarHBondContact N-O 2.6Å; Y735-I794 HydrophobicContact CD1-CD1 3.87Å; Y735-I794 HydrophobicContact CD1-CG1 3.99Å; Y735-I794 HydrophobicContact CE1-CD1 4.38Å; Y735-R795 PolarHBondContact O-N 3.18Å
736	H	95	Very high	80.1	Confident	33 Å²	33	48.6 Å²	48.6	15%	0.153	25%	0.248	C	C	.	.			trans	-148.2	145.4	164.6	64.8	-84.5	0	0	0	108.8	Q525 W528 T738 R795 E800	Q525-H736 PolarHBondContact OE1-CE1 2.9Å; W528-H736 AromaticContact CD1-CE1 3.95Å; W528-H736 AromaticContact CD1-ND1 3.74Å; W528-H736 AromaticContact NE1-ND1 3.93Å; W528-H736 PolarHBondContact NE1-O 2.87Å; W528-H736 VanDerWaalsContact NE1-O 3.09Å; H736-T738 PolarHBondContact O-N 2.91Å; H736-R795 HydrophobicContact CB-CG 4.28Å; H736-E800 HydrophobicContact CB-CG 4.42Å
737	H	90.5	Very high	77.5	Confident	14 Å²	14	53.4 Å²	53.4	7%	0.065	28%	0.28	C	S	.	.			trans	-71.3	126.9	-178.2	179.4	53.3	0	0	0	111.4	F724 D726 K739 D742 E800	F724-H737 VanDerWaalsContact CB-CE1 3.44Å; F724-H737 WeakPolarHBondContact CB-CE1 3.39Å; F724-H737 VanDerWaalsContact CB-ND1 3.26Å; F724-H737 WeakPolarHBondContact CB-ND1 3.33Å; F724-H737 AromaticContact CD1-CD2 3.84Å; F724-H737 AromaticContact CD1-CE1 3.48Å; F724-H737 VanDerWaalsContact CD1-CE1 3.48Å; F724-H737 WeakPolarHBondContact CD1-CE1 3.3Å; F724-H737 AromaticContact CD1-ND1 3.84Å; F724-H737 AromaticContact CD1-NE2 3.5Å; F724-H737 WeakPolarHBondContact CD1-NE2 3.18Å; F724-H737 HydrophobicContact CD2-CB 3.83Å; F724-H737 AromaticContact CD2-CD2 3.95Å; F724-H737 AromaticContact CD2-CG 3.51Å; F724-H737 AromaticContact CD2-ND1 3.65Å; F724-H737 AromaticContact CE1-CD2 3.82Å; F724-H737 AromaticContact CE1-NE2 3.76Å; F724-H737 HydrophobicContact CE2-CB 4.04Å; F724-H737 AromaticContact CE2-CD2 3.94Å; F724-H737 AromaticContact CE2-CG 3.84Å; F724-H737 HydrophobicContact CG-CB 4.41Å; F724-H737 AromaticContact CG-CD2 3.89Å; F724-H737 AromaticContact CG-CE1 3.43Å; F724-H737 VanDerWaalsContact CG-CE1 3.43Å; F724-H737 WeakPolarHBondContact CG-CE1 3.37Å; F724-H737 AromaticContact CG-CG 3.61Å; F724-H737 AromaticContact CG-ND1 3.31Å; F724-H737 VanDerWaalsContact CG-ND1 3.31Å; F724-H737 WeakPolarHBondContact CG-ND1 3.16Å; F724-H737 AromaticContact CG-NE2 3.81Å; F724-H737 AromaticContact CZ-CD2 3.87Å; D726-H737 IonicContact OD1-CE1 2.7Å; D726-H737 IonicContact OD1-ND1 3.15Å; D726-H737 PolarHBondContact OD1-ND1 3.26Å; D726-H737 IonicContact OD2-CE1 3.87Å; D726-H737 IonicContact OD2-CG 2.65Å; D726-H737 IonicContact OD2-ND1 3.87Å; D726-H737 PolarHBondContact OD2-ND1 3.44Å; H737-K739 WeakPolarHBondContact NE2-CA 3.4Å; H737-K739 PolarHBondContact NE2-N 3.44Å; H737-D742 IonicContact NE2-OD1 3.29Å; H737-D742 PolarHBondContact NE2-OD1 2.93Å; H737-E800 PolarHBondContact N-OE1 3.34Å
738	T	88.9	Confident	75	Confident	25 Å²	25	60.9 Å²	60.9	15%	0.153	31%	0.308	C	S	.	.			trans	-80.4	-19	-171.8	60.8	0	0	0	0	114.3	I521 Q525 W528 D726 H736 L740	I521-T738 HydrophobicContact CG1-CG2 4.5Å; I521-T738 HydrophobicContact CG2-CG2 4.17Å; Q525-T738 HydrophobicContact CG-CG2 3.95Å; W528-T738 HydrophobicContact CZ2-CG2 3.95Å; D726-T738 WeakPolarHBondContact OD2-CB 3.33Å; D726-T738 PolarHBondContact OD2-N 3.25Å; D726-T738 PolarHBondContact OD2-OG1 3.1Å; H736-T738 PolarHBondContact O-N 2.91Å; T738-L740 PolarHBondContact O-N 3.1Å
739	K	82.7	Confident	72.3	Confident	134 Å²	134	66.4 Å²	66.4	58%	0.583	33%	0.332	S	S	*	.			trans	59.2	12.9	-176.4	-53.9	178.3	-175.3	174.7	0	114.6	H737 K741 D742	H737-K739 WeakPolarHBondContact NE2-CA 3.4Å; H737-K739 PolarHBondContact NE2-N 3.44Å; K739-K741 PolarHBondContact O-N 3.41Å; K739-D742 HydrophobicContact CB-CB 4.28Å; K739-D742 VanDerWaalsContact CB-OD2 3.3Å; K739-D742 WeakPolarHBondContact CB-OD2 3.29Å; K739-D742 WeakPolarHBondContact CG-OD2 3.34Å; K739-D742 WeakPolarHBondContact O-CB 2.95Å; K739-D742 PolarHBondContact O-N 2.87Å; K739-D742 VanDerWaalsContact O-N 3.15Å
740	L	78.9	Confident	69.1	Low	42 Å²	42	73.8 Å²	73.8	22%	0.22	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.5	-178.8	-80.5	174.9	0	0	0	112.7	F517 K520 I521 V524 T738	F517-L740 HydrophobicContact CE2-CB 3.77Å; F517-L740 HydrophobicContact CE2-CD1 4.27Å; K520-L740 HydrophobicContact CB-CD1 4.33Å; K520-L740 HydrophobicContact CG-CD1 3.97Å; K520-L740 HydrophobicContact CG-CD2 4.09Å; I521-L740 HydrophobicContact CB-CD1 4.39Å; I521-L740 HydrophobicContact CG1-CD1 3.77Å; V524-L740 HydrophobicContact CG1-CD2 4.13Å; V524-L740 HydrophobicContact CG2-CD1 3.71Å; V524-L740 HydrophobicContact CG2-CD2 4.07Å; V524-L740 HydrophobicContact CG2-CG 4.07Å; T738-L740 PolarHBondContact O-N 3.1Å
741	K	70.6	Confident	66.1	Low	50 Å²	50	78 Å²	78	22%	0.217	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-0.7	177.7	-87	179.2	178	171.5	0	114.5	D514 F517 D725 K739 T743 M744	D514-K741 IonicContact OD2-NZ 2.87Å; D514-K741 PolarHBondContact OD2-NZ 2.85Å; F517-K741 HydrophobicContact CD1-CD 4.21Å; F517-K741 HydrophobicContact CD2-CD 3.91Å; F517-K741 HydrophobicContact CD2-CG 4.05Å; F517-K741 HydrophobicContact CE1-CD 3.91Å; F517-K741 HydrophobicContact CE2-CB 4.26Å; F517-K741 HydrophobicContact CE2-CD 3.6Å; F517-K741 HydrophobicContact CE2-CG 3.57Å; F517-K741 HydrophobicContact CG-CD 4.19Å; F517-K741 HydrophobicContact CZ-CB 4.38Å; F517-K741 HydrophobicContact CZ-CD 3.59Å; F517-K741 HydrophobicContact CZ-CG 3.94Å; D725-K741 HydrophobicContact CB-CD 4.46Å; D725-K741 WeakPolarHBondContact OD2-CB 3.31Å; D725-K741 WeakPolarHBondContact OD2-CD 3.29Å; D725-K741 WeakPolarHBondContact OD2-CG 3.49Å; K739-K741 PolarHBondContact O-N 3.41Å; K741-T743 PolarHBondContact O-N 3.37Å; K741-M744 HydrophobicContact CD-CE 4.44Å; K741-M744 HydrophobicContact CG-CB 4.2Å; K741-M744 HydrophobicContact CG-CE 3.9Å; K741-M744 PolarHBondContact O-N 2.69Å; K741-M744 VanDerWaalsContact O-N 3.08Å
742	D	63.1	Low	62.8	Low	98 Å²	98	77 Å²	77	52%	0.524	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.5	175	-78.9	0.5	0	0	0	112.4	H737 K739	H737-D742 IonicContact NE2-OD1 3.29Å; H737-D742 PolarHBondContact NE2-OD1 2.93Å; K739-D742 HydrophobicContact CB-CB 4.28Å; K739-D742 VanDerWaalsContact CB-OD2 3.3Å; K739-D742 WeakPolarHBondContact CB-OD2 3.29Å; K739-D742 WeakPolarHBondContact CG-OD2 3.34Å; K739-D742 WeakPolarHBondContact O-CB 2.95Å; K739-D742 PolarHBondContact O-N 2.87Å; K739-D742 VanDerWaalsContact O-N 3.15Å
743	T	44.8	Very low	59.9	Low	127 Å²	127	79.2 Å²	79.2	78%	0.779	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-2	179.6	56.5	0	0	0	0	114.2	K741 N745	K741-T743 PolarHBondContact O-N 3.37Å; T743-N745 PolarHBondContact O-N 3.35Å
744	M	39	Very low	57.1	Low	89 Å²	89	81 Å²	81	44%	0.438	39%	0.392	S	S	.	.	S	Bend	trans	-107	78.7	-161	-138.1	169	74.4	0	0	112.9	K741 W746	K741-M744 HydrophobicContact CD-CE 4.44Å; K741-M744 HydrophobicContact CG-CB 4.2Å; K741-M744 HydrophobicContact CG-CE 3.9Å; K741-M744 PolarHBondContact O-N 2.69Å; K741-M744 VanDerWaalsContact O-N 3.08Å; M744-W746 PolarHBondContact O-N 2.82Å
745	N	37.7	Very low	54.9	Low	170 Å²	170	81.8 Å²	81.8	91%	0.909	40%	0.396	S	S	*	.			trans	37.1	21.6	148.7	-73.9	-22.4	0	0	0	121.7	T743	T743-N745 PolarHBondContact O-N 3.35Å
746	W	33.7	Very low	52.8	Low	106 Å²	106	83.6 Å²	83.6	40%	0.402	41%	0.408	S	S	.	.	S	Bend	trans	-92.8	126.6	155.4	-154.3	78.1	0	0	0	106.3	Y506 R541 M744 R748	Y506-W746 AromaticContact CE1-CH2 3.86Å; Y506-W746 HydrophobicContact CE1-CH2 3.86Å; Y506-W746 HydrophobicContact CE1-CZ2 4.03Å; Y506-W746 AromaticContact CZ-CH2 3.87Å; Y506-W746 WeakPolarHBondContact OH-CH2 3.44Å; Y506-W746 VanDerWaalsContact OH-CZ2 3.23Å; Y506-W746 WeakPolarHBondContact OH-CZ2 3.35Å; R541-W746 VanDerWaalsContact NH2-NE1 3.17Å; M744-W746 PolarHBondContact O-N 2.82Å; W746-R748 PolarHBondContact O-N 2.95Å
747	P	35	Very low	51.8	Low	101 Å²	101	83.8 Å²	83.8	66%	0.656	41%	0.409	S	S	*	.	S	Bend	trans	-53.9	95.4	-147.3	26.5	-36.1	0	0	0	112.1
748	R	42.2	Very low	51.7	Low	158 Å²	158	83.2 Å²	83.2	60%	0.596	41%	0.407	S	S	*	.			trans	-144.2	86.7	176.4	-75	-167.3	174.5	178.6	1	108.2	W746 W750 E754	W746-R748 PolarHBondContact O-N 2.95Å; R748-W750 PolarHBondContact O-N 3.43Å; R748-E754 IonicContact CZ-OE1 3.97Å; R748-E754 VanDerWaalsContact CZ-OE1 3.24Å; R748-E754 IonicContact NH1-OE1 3.98Å; R748-E754 PolarHBondContact NH1-OE1 3.15Å; R748-E754 IonicContact NH2-OE1 2.94Å; R748-E754 PolarHBondContact NH2-OE1 3.44Å
749	K	32.5	Very low	51.9	Low	122 Å²	122	82.4 Å²	82.4	53%	0.53	40%	0.402	S	S	.	.	S	Bend	trans	-69.6	116.2	148.6	-166.8	172.9	-174.7	170.9	0	105.1	E493	E493-K749 IonicContact OE1-NZ 3.24Å; E493-K749 PolarHBondContact OE1-NZ 3.43Å; E493-K749 IonicContact OE2-NZ 3.94Å; E493-K749 PolarHBondContact OE2-NZ 2.87Å
750	W	28.5	Very low	52.6	Low	158 Å²	158	76.1 Å²	76.1	60%	0.598	38%	0.375	S	S	*	.			trans	17.4	102.5	166.6	-168.1	81.7	0	0	0	116.3	Y482 R748 P752	Y482-W750 HydrophobicContact CE1-CH2 4.36Å; Y482-W750 HydrophobicContact CE1-CZ3 4.38Å; R748-W750 PolarHBondContact O-N 3.43Å; W750-P752 HydrophobicContact CD2-CG 4.03Å; W750-P752 VanDerWaalsContact CE3-CD 3.46Å; W750-P752 HydrophobicContact CE3-CG 4Å; W750-P752 HydrophobicContact CH2-CB 4.42Å; W750-P752 HydrophobicContact CH2-CG 3.46Å; W750-P752 VanDerWaalsContact CH2-CG 3.46Å; W750-P752 HydrophobicContact CZ2-CB 3.94Å; W750-P752 HydrophobicContact CZ2-CG 3.44Å; W750-P752 VanDerWaalsContact CZ2-CG 3.44Å; W750-P752 HydrophobicContact CZ3-CG 3.71Å
751	N	34.8	Very low	53.5	Low	87 Å²	87	74.2 Å²	74.2	47%	0.465	37%	0.366	S	S	.	.			trans	-124.5	90.3	165.2	-176	15.6	0	0	0	109.2	Y753	N751-Y753 PolarHBondContact O-N 2.94Å; N751-Y753 VanDerWaalsContact OD1-CB 3.27Å; N751-Y753 WeakPolarHBondContact OD1-CB 3.46Å; N751-Y753 WeakPolarHBondContact OD1-CD2 3.23Å; N751-Y753 PolarHBondContact OD1-N 3.23Å
752	P	29.5	Very low	54.9	Low	67 Å²	67	71.9 Å²	71.9	44%	0.435	36%	0.355	S	S	.	.			trans	-76.3	22	-176.9	37.7	-42.7	0	0	0	112.9	W750	W750-P752 HydrophobicContact CD2-CG 4.03Å; W750-P752 VanDerWaalsContact CE3-CD 3.46Å; W750-P752 HydrophobicContact CE3-CG 4Å; W750-P752 HydrophobicContact CH2-CB 4.42Å; W750-P752 HydrophobicContact CH2-CG 3.46Å; W750-P752 VanDerWaalsContact CH2-CG 3.46Å; W750-P752 HydrophobicContact CZ2-CB 3.94Å; W750-P752 HydrophobicContact CZ2-CG 3.44Å; W750-P752 VanDerWaalsContact CZ2-CG 3.44Å; W750-P752 HydrophobicContact CZ3-CG 3.71Å
753	Y	36.3	Very low	56.6	Low	64 Å²	64	67.2 Å²	67.2	25%	0.251	33%	0.33	S	S	.	.			trans	-121.9	60.7	-167.4	-50.6	-47.8	0	0	0	110	Y556 N751	Y556-Y753 VanDerWaalsContact C-CD1 3.48Å; Y556-Y753 AromaticContact CD1-CD2 3.89Å; Y556-Y753 HydrophobicContact CD1-CD2 3.89Å; Y556-Y753 HydrophobicContact CD1-CE2 4.21Å; Y556-Y753 HydrophobicContact CD1-CG 4.25Å; Y556-Y753 WeakPolarHBondContact O-CD1 3.5Å; Y556-Y753 VanDerWaalsContact O-CE1 3.26Å; Y556-Y753 WeakPolarHBondContact O-CE1 3.36Å; N751-Y753 PolarHBondContact O-N 2.94Å; N751-Y753 VanDerWaalsContact OD1-CB 3.27Å; N751-Y753 WeakPolarHBondContact OD1-CB 3.46Å; N751-Y753 WeakPolarHBondContact OD1-CD2 3.23Å; N751-Y753 PolarHBondContact OD1-N 3.23Å
754	E	39.8	Very low	59.1	Low	52 Å²	52	61.1 Å²	61.1	24%	0.243	29%	0.293	C	S	.	.			trans	-98.9	126.8	177.9	-81.1	-174.5	176.5	0	0	112.5	N722 F724 R748	N722-E754 WeakPolarHBondContact ND2-CB 3.43Å; N722-E754 PolarHBondContact ND2-OE2 3.5Å; F724-E754 WeakPolarHBondContact CE1-OE2 3.42Å; R748-E754 IonicContact CZ-OE1 3.97Å; R748-E754 VanDerWaalsContact CZ-OE1 3.24Å; R748-E754 IonicContact NH1-OE1 3.98Å; R748-E754 PolarHBondContact NH1-OE1 3.15Å; R748-E754 IonicContact NH2-OE1 2.94Å; R748-E754 PolarHBondContact NH2-OE1 3.44Å
755	I	51.6	Low	62	Low	21 Å²	21	57 Å²	57	11%	0.108	27%	0.273	C	S	.	.			trans	-86.7	160.5	-173	-53.6	100.4	0	0	0	109.5	S553 I555 N722 N757	S553-I755 WeakPolarHBondContact O-CD1 3.37Å; S553-I755 WeakPolarHBondContact OG-CB 3.48Å; S553-I755 VanDerWaalsContact OG-CD1 3.3Å; S553-I755 WeakPolarHBondContact OG-CD1 2.9Å; S553-I755 WeakPolarHBondContact OG-CG1 3.44Å; S553-I755 WeakPolarHBondContact OG-CG2 3.4Å; I555-I755 HydrophobicContact CB-CD1 4.35Å; I555-I755 HydrophobicContact CB-CG1 3.46Å; I555-I755 VanDerWaalsContact CB-CG1 3.46Å; I555-I755 HydrophobicContact CB-CG2 4.46Å; I555-I755 HydrophobicContact CD1-CB 4.5Å; I555-I755 HydrophobicContact CD1-CG1 4.18Å; I555-I755 HydrophobicContact CD1-CG2 3.54Å; I555-I755 HydrophobicContact CG1-CG1 3.76Å; I555-I755 HydrophobicContact CG1-CG2 4.05Å; N722-I755 VanDerWaalsContact CB-O 3.26Å; N722-I755 WeakPolarHBondContact CB-O 3.47Å; N722-I755 PolarHBondContact OD1-O 2.57Å; I755-N757 VanDerWaalsContact C-N 3.33Å; I755-N757 PolarHBondContact O-N 2.87Å
756	T	52.9	Low	64.9	Low	38 Å²	38	48.9 Å²	48.9	23%	0.233	23%	0.229	C	C	.	.			trans	-69.8	94	155.9	56	0	0	0	0	109.1	G720 M721	G720-T756 VanDerWaalsContact C-CB 3.43Å; G720-T756 VanDerWaalsContact C-CG2 3.41Å; G720-T756 VanDerWaalsContact O-CG2 3.31Å; G720-T756 WeakPolarHBondContact O-CG2 3.25Å; M721-T756 VanDerWaalsContact C-CA 3.49Å; M721-T756 CarbonylContact O-C 3.45Å; M721-T756 VanDerWaalsContact O-CA 3.29Å; M721-T756 WeakPolarHBondContact O-CA 3.42Å
757	N	74.6	Confident	67.9	Low	36 Å²	36	44.4 Å²	44.4	19%	0.193	21%	0.214	C	C	.	.			trans	-80.2	-22.6	-178.7	59.1	1.3	0	0	0	112.7	M548 G549 M721 N722 V723 I755	M548-N757 VanDerWaalsContact O-CG 3.25Å; M548-N757 PolarHBondContact O-ND2 3.01Å; M548-N757 PolarHBondContact O-OD1 2.77Å; G549-N757 CarbonylContact C-O 3.59Å; G549-N757 WeakPolarHBondContact CA-O 3.35Å; M721-N757 PolarHBondContact O-N 3.3Å; M721-N757 VanDerWaalsContact O-N 3.07Å; M721-N757 PolarHBondContact O-OD1 3.01Å; N722-N757 WeakPolarHBondContact CA-OD1 3.44Å; N722-N757 PolarHBondContact OD1-ND2 3.42Å; V723-N757 PolarHBondContact N-OD1 3.46Å; I755-N757 VanDerWaalsContact C-N 3.33Å; I755-N757 PolarHBondContact O-N 2.87Å
758	H	88.9	Confident	70.8	Confident	3 Å²	3	41.1 Å²	41.1	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.6	-172.7	-166.7	45.8	0	0	0	111.9	Q596 C602 G720 M721 V723 V760 N780 W782	Q596-H758 PolarHBondContact OE1-CE1 2.84Å; C602-H758 VanDerWaalsContact CB-CE1 3.41Å; C602-H758 WeakPolarHBondContact CB-CE1 3.42Å; C602-H758 VanDerWaalsContact CB-ND1 3.34Å; C602-H758 WeakPolarHBondContact CB-ND1 3.28Å; G720-H758 CarbonylContact C-O 3.51Å; G720-H758 WeakPolarHBondContact CA-O 3.49Å; M721-H758 HydrophobicContact CG-CB 4.33Å; M721-H758 PolarHBondContact N-O 2.61Å; M721-H758 PolarHBondContact O-N 2.78Å; V723-H758 HydrophobicContact CB-CB 4.39Å; V723-H758 HydrophobicContact CG2-CB 3.37Å; H758-V760 WeakPolarHBondContact CD2-CG1 3.41Å; H758-V760 WeakPolarHBondContact NE2-CG1 3.33Å; H758-N780 PolarHBondContact NE2-OD1 3.22Å; H758-W782 AromaticContact CE1-NE1 3.65Å; H758-W782 AromaticContact NE2-NE1 3.8Å
759	A	93.2	Very high	73.1	Confident	7 Å²	7	41.1 Å²	41.1	6%	0.058	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.9	175.6	0	0	0	0	0	110.9	C602 A606 P647 V718 V719	C602-A759 HydrophobicContact CB-CB 4.43Å; A606-A759 HydrophobicContact CB-CB 4.03Å; P647-A759 HydrophobicContact CG-CB 3.72Å; V718-A759 HydrophobicContact CG1-CB 4.38Å; V719-A759 WeakPolarHBondContact O-CA 2.77Å
760	V	96.9	Very high	75.9	Confident	2 Å²	2	44 Å²	44	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	169.9	-177.8	-65	0	0	0	0	110.4	V718 V719 M721 H758 V778 F792	V718-V760 WeakPolarHBondContact CA-O 3.43Å; V719-V760 HydrophobicContact CG2-CG2 3.54Å; V719-V760 PolarHBondContact N-O 3.13Å; V719-V760 PolarHBondContact O-N 3.22Å; M721-V760 HydrophobicContact CG-CG2 4.24Å; M721-V760 HydrophobicContact SD-CG1 4.49Å; M721-V760 HydrophobicContact SD-CG2 4.12Å; H758-V760 WeakPolarHBondContact CD2-CG1 3.41Å; H758-V760 WeakPolarHBondContact NE2-CG1 3.33Å; V760-V778 HydrophobicContact CB-CG1 3.67Å; V760-V778 HydrophobicContact CG2-CG1 3.45Å; V760-V778 VanDerWaalsContact CG2-CG1 3.45Å; V760-F792 HydrophobicContact CG1-CE1 4.29Å; V760-F792 HydrophobicContact CG1-CZ 4.5Å; V760-F792 HydrophobicContact CG2-CZ 4.26Å
761	V	98.6	Very high	78.8	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.7	-176.8	-174.8	0	0	0	0	110.5	A606 A609 P716 I717 V718 V763 V778 K779	A606-V761 VanDerWaalsContact CA-CG2 3.5Å; A606-V761 HydrophobicContact CB-CG2 3.79Å; A606-V761 WeakPolarHBondContact O-CG2 3.25Å; A609-V761 HydrophobicContact CB-CG2 3.93Å; P716-V761 HydrophobicContact CB-CG1 3.64Å; I717-V761 CarbonylContact O-C 3.46Å; I717-V761 WeakPolarHBondContact O-CA 3.22Å; I717-V761 WeakPolarHBondContact O-CG1 3.42Å; V718-V761 HydrophobicContact CG2-CG2 4.34Å; V761-V763 HydrophobicContact CG1-CG1 4.06Å; V761-V778 CarbonylContact O-C 3.6Å; V761-V778 WeakPolarHBondContact O-CA 3.22Å; V761-V778 WeakPolarHBondContact O-CG1 3.17Å; V761-K779 HydrophobicContact CB-CB 4.35Å; V761-K779 PolarHBondContact N-O 3.07Å; V761-K779 PolarHBondContact O-N 3.39Å
762	I	98.9	Very high	81.5	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	127.3	169.2	-63.4	-179.2	0	0	0	108.1	M707 L711 P716 I717 V719 W776 V778 I803	M707-I762 HydrophobicContact CE-CD1 3.35Å; L711-I762 HydrophobicContact CD1-CG2 4.28Å; L711-I762 WeakPolarHBondContact CD1-O 3.18Å; L711-I762 HydrophobicContact CD2-CG2 3.9Å; P716-I762 VanDerWaalsContact CA-O 3.29Å; P716-I762 WeakPolarHBondContact CA-O 3.48Å; P716-I762 WeakPolarHBondContact CB-O 3.21Å; I717-I762 HydrophobicContact CG1-CB 3.98Å; I717-I762 PolarHBondContact N-O 3.08Å; I717-I762 PolarHBondContact O-N 2.84Å; V719-I762 HydrophobicContact CB-CD1 4.42Å; V719-I762 HydrophobicContact CG1-CD1 3.59Å; V719-I762 HydrophobicContact CG1-CG1 4Å; V719-I762 HydrophobicContact CG2-CD1 4.02Å; V719-I762 HydrophobicContact CG2-CG1 3.82Å; I762-W776 HydrophobicContact CD1-CB 4.4Å; I762-W776 HydrophobicContact CD1-CD2 3.84Å; I762-W776 HydrophobicContact CD1-CE3 4.08Å; I762-W776 HydrophobicContact CD1-CG 4Å; I762-W776 HydrophobicContact CG2-CD2 4.19Å; I762-W776 HydrophobicContact CG2-CE3 3.46Å; I762-W776 VanDerWaalsContact CG2-CE3 3.46Å; I762-W776 HydrophobicContact CG2-CZ3 3.93Å; I762-V778 HydrophobicContact CG1-CG2 4.24Å; I762-I803 HydrophobicContact CD1-CD1 4.49Å; I762-I803 HydrophobicContact CD1-CG1 4.44Å
763	V	98.8	Very high	84.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-7.4	-178.2	-59.8	0	0	0	0	113.1	W581 R582 V590 P716 V761 I777 K779 Y791	W581-V763 WeakPolarHBondContact CB-O 3.32Å; W581-V763 VanDerWaalsContact CD1-O 3.29Å; W581-V763 PolarHBondContact N-O 3.41Å; R582-V763 HydrophobicContact CG-CG2 4.35Å; V590-V763 HydrophobicContact CG1-CG1 3.9Å; V590-V763 HydrophobicContact CG2-CB 3.88Å; V590-V763 HydrophobicContact CG2-CG1 3.9Å; P716-V763 HydrophobicContact CB-CG1 4.17Å; P716-V763 HydrophobicContact CG-CB 4.46Å; P716-V763 HydrophobicContact CG-CG1 4.16Å; V761-V763 HydrophobicContact CG1-CG1 4.06Å; V763-I777 HydrophobicContact CG2-CB 4.25Å; V763-I777 HydrophobicContact CG2-CG2 3.72Å; V763-I777 PolarHBondContact N-O 3.08Å; V763-K779 HydrophobicContact CG1-CB 4.06Å; V763-Y791 HydrophobicContact CG2-CD1 4.31Å; V763-Y791 HydrophobicContact CG2-CE1 4.06Å
764	G	98.8	Very high	87.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	179.7	-177.6	0	0	0	0	0	111.9	F579 I777	F579-G764 CarbonylContact O-C 3.51Å; F579-G764 WeakPolarHBondContact O-CA 3.49Å; G764-I777 PolarHBondContact N-O 2.74Å; G764-I777 PolarHBondContact O-N 3.18Å
765	Y	98.8	Very high	90.4	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	164.6	171.7	60.4	-98.1	0	0	0	110.3	P576 E577 F579 R708 L711 V712 Y775 W776	P576-Y765 WeakPolarHBondContact O-CE2 3.25Å; P576-Y765 PolarHBondContact O-OH 2.87Å; E577-Y765 WeakPolarHBondContact O-CD2 3.3Å; E577-Y765 VanDerWaalsContact O-CE2 3.27Å; E577-Y765 WeakPolarHBondContact O-CE2 3Å; F579-Y765 HydrophobicContact CB-CD1 4.31Å; F579-Y765 HydrophobicContact CB-CE1 3.75Å; F579-Y765 HydrophobicContact CB-CE2 4.1Å; F579-Y765 HydrophobicContact CG-CE1 4.47Å; F579-Y765 PolarHBondContact N-O 3.01Å; F579-Y765 PolarHBondContact O-N 3.49Å; F579-Y765 VanDerWaalsContact O-O 3.11Å; R708-Y765 HydrophobicContact CB-CE1 4.09Å; R708-Y765 HydrophobicContact CG-CD1 3.92Å; R708-Y765 HydrophobicContact CG-CE1 3.84Å; R708-Y765 HydrophobicContact CG-CG 4.44Å; R708-Y765 VanDerWaalsContact NE-CZ 3.35Å; R708-Y765 PolarHBondContact NH2-OH 2.79Å; L711-Y765 HydrophobicContact CD2-CD1 3.73Å; L711-Y765 HydrophobicContact CD2-CE1 4.19Å; V712-Y765 HydrophobicContact CG2-CE1 3.87Å; Y765-Y775 CarbonylContact C-O 3.19Å; Y765-Y775 VanDerWaalsContact CA-O 3.22Å; Y765-Y775 WeakPolarHBondContact CA-O 3.47Å; Y765-Y775 VanDerWaalsContact CB-O 3.29Å; Y765-Y775 WeakPolarHBondContact CB-O 3.48Å; Y765-W776 HydrophobicContact CD1-CE3 4.4Å; Y765-W776 AromaticContact CD1-CZ3 3.83Å; Y765-W776 HydrophobicContact CD1-CZ3 3.83Å; Y765-W776 HydrophobicContact CG-CE3 4.44Å; Y765-W776 HydrophobicContact CG-CZ3 4.21Å
766	G	98.2	Very high	92.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	-170.7	172.2	0	0	0	0	0	113.7	N578 Y775 R796	N578-G766 WeakPolarHBondContact OD1-CA 3.26Å; G766-Y775 PolarHBondContact N-O 2.94Å; G766-Y775 PolarHBondContact O-N 3.43Å; G766-R796 PolarHBondContact O-NH2 2.67Å
767	V	97.8	Very high	94.8	Very high	13 Å²	13	37 Å²	37	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.8	171.4	-171	0	0	0	0	107	E577 N578 D774	E577-V767 HydrophobicContact CG-CB 4.3Å; E577-V767 HydrophobicContact CG-CG2 3.45Å; E577-V767 VanDerWaalsContact CG-CG2 3.45Å; N578-V767 PolarHBondContact OD1-N 3.12Å; V767-D774 WeakPolarHBondContact CG2-OD1 3.46Å
768	D	95.5	Very high	96	Very high	32 Å²	32	35.3 Å²	35.3	17%	0.171	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.6	177.5	178.8	90.9	0	0	0	110.7	I734 Q770 T771 D772 M773 Y775 R793	I734-D768 HydrophobicContact CD1-CB 3.57Å; D768-Q770 PolarHBondContact O-N 3.41Å; D768-Q770 PolarHBondContact OD2-N 3.17Å; D768-T771 WeakPolarHBondContact CB-OG1 3.49Å; D768-T771 PolarHBondContact O-N 3.08Å; D768-T771 WeakPolarHBondContact OD2-CB 3.48Å; D768-T771 PolarHBondContact OD2-N 3.26Å; D768-T771 PolarHBondContact OD2-OG1 3.32Å; D768-D772 VanDerWaalsContact O-CA 3.31Å; D768-D772 WeakPolarHBondContact O-CA 3.34Å; D768-D772 PolarHBondContact O-N 3.19Å; D768-M773 PolarHBondContact N-O 3.21Å; D768-Y775 HydrophobicContact CB-CD1 4.29Å; D768-Y775 HydrophobicContact CB-CE1 4.11Å; D768-R793 IonicContact OD1-NH1 3.23Å
769	D	91.1	Very high	96.4	Very high	158 Å²	158	35.7 Å²	35.7	85%	0.845	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.3	-174.4	-61.2	-30.3	0	0	0	114.1
770	Q	89.5	Confident	96.7	Very high	183 Å²	183	35.5 Å²	35.5	86%	0.855	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-35.4	-177	-60.9	-176.5	17.5	0	0	112.3	D768	D768-Q770 PolarHBondContact O-N 3.41Å; D768-Q770 PolarHBondContact OD2-N 3.17Å
771	T	89.7	Confident	96.7	Very high	64 Å²	64	35.9 Å²	35.9	39%	0.393	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-7.7	-171.9	60	0	0	0	0	114	D768 M773	D768-T771 WeakPolarHBondContact CB-OG1 3.49Å; D768-T771 PolarHBondContact O-N 3.08Å; D768-T771 WeakPolarHBondContact OD2-CB 3.48Å; D768-T771 PolarHBondContact OD2-N 3.26Å; D768-T771 PolarHBondContact OD2-OG1 3.32Å; T771-M773 VanDerWaalsContact CB-CE 3.46Å; T771-M773 HydrophobicContact CG2-CE 3.78Å; T771-M773 PolarHBondContact O-N 2.66Å; T771-M773 WeakPolarHBondContact OG1-CE 3.41Å
772	D	92.3	Very high	96.6	Very high	138 Å²	138	35.8 Å²	35.8	74%	0.738	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	25.4	-173.2	-159.1	38.4	0	0	0	112.7	D768	D768-D772 VanDerWaalsContact O-CA 3.31Å; D768-D772 WeakPolarHBondContact O-CA 3.34Å; D768-D772 PolarHBondContact O-N 3.19Å
773	M	95.6	Very high	96.5	Very high	36 Å²	36	36.1 Å²	36.1	18%	0.177	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.1	-177.5	-74.9	-167.4	-73.3	0	0	111.6	N527 I734 D768 T771	N527-M773 HydrophobicContact CB-CE 3.93Å; N527-M773 WeakPolarHBondContact OD1-CE 3.37Å; I734-M773 HydrophobicContact CB-CE 4.44Å; I734-M773 HydrophobicContact CD1-CB 3.78Å; I734-M773 HydrophobicContact CD1-CE 4.09Å; D768-M773 PolarHBondContact N-O 3.21Å; T771-M773 VanDerWaalsContact CB-CE 3.46Å; T771-M773 HydrophobicContact CG2-CE 3.78Å; T771-M773 PolarHBondContact O-N 2.66Å; T771-M773 WeakPolarHBondContact OG1-CE 3.41Å
774	D	97.8	Very high	96.4	Very high	61 Å²	61	40.2 Å²	40.2	33%	0.326	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	129.7	167	-83	-1.9	0	0	0	111.5	V767 R796	V767-D774 WeakPolarHBondContact CG2-OD1 3.46Å; D774-R796 HydrophobicContact CB-CB 4.07Å; D774-R796 VanDerWaalsContact CG-CZ 3.41Å; D774-R796 PolarHBondContact O-N 3.37Å; D774-R796 IonicContact OD1-CZ 3.88Å; D774-R796 IonicContact OD1-NH2 3.29Å; D774-R796 PolarHBondContact OD1-NH2 3.26Å; D774-R796 IonicContact OD2-CZ 3.62Å; D774-R796 VanDerWaalsContact OD2-CZ 3.28Å; D774-R796 IonicContact OD2-NH1 2.62Å; D774-R796 PolarHBondContact OD2-NH1 3.06Å; D774-R796 IonicContact OD2-NH2 3.09Å; D774-R796 PolarHBondContact OD2-NH2 3.47Å; D774-R796 VanDerWaalsContact OD2-NH2 3.14Å
775	Y	98.7	Very high	96.3	Very high	33 Å²	33	43.9 Å²	43.9	13%	0.129	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.3	175.7	64.8	-93.8	0	0	0	113.8	I734 Y765 G766 D768 I777 R793 I794 R796	I734-Y775 HydrophobicContact CD1-CD1 3.73Å; I734-Y775 HydrophobicContact CD1-CG 4.3Å; I734-Y775 HydrophobicContact CG1-CD1 4.15Å; I734-Y775 HydrophobicContact CG1-CG 4.29Å; Y765-Y775 CarbonylContact C-O 3.19Å; Y765-Y775 VanDerWaalsContact CA-O 3.22Å; Y765-Y775 WeakPolarHBondContact CA-O 3.47Å; Y765-Y775 VanDerWaalsContact CB-O 3.29Å; Y765-Y775 WeakPolarHBondContact CB-O 3.48Å; G766-Y775 PolarHBondContact N-O 2.94Å; G766-Y775 PolarHBondContact O-N 3.43Å; D768-Y775 HydrophobicContact CB-CD1 4.29Å; D768-Y775 HydrophobicContact CB-CE1 4.11Å; Y775-I777 HydrophobicContact CD2-CG1 4Å; Y775-I777 HydrophobicContact CE2-CD1 4.14Å; Y775-I777 HydrophobicContact CE2-CG1 3.64Å; Y775-R793 HydrophobicContact CD2-CB 3.91Å; Y775-R793 HydrophobicContact CD2-CG 3.61Å; Y775-R793 HydrophobicContact CE2-CG 3.89Å; Y775-R793 HydrophobicContact CG-CB 4.21Å; Y775-R793 HydrophobicContact CG-CG 4.35Å; Y775-I794 CarbonylContact C-O 3.14Å; Y775-I794 WeakPolarHBondContact CA-O 3.44Å; Y775-I794 WeakPolarHBondContact CB-O 3.33Å; Y775-R796 PolarHBondContact O-NE 3.48Å
776	W	98.8	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	145	163.1	-67.2	113.7	0	0	0	110.2	E704 M707 R708 L711 I762 Y765 V778 R793 I794 R796 E804	E704-W776 HydrophobicContact CB-CZ2 4.35Å; E704-W776 HydrophobicContact CG-CH2 4.48Å; E704-W776 HydrophobicContact CG-CZ2 3.7Å; M707-W776 HydrophobicContact CB-CH2 3.75Å; M707-W776 HydrophobicContact CB-CZ2 3.98Å; M707-W776 HydrophobicContact CE-CH2 4.39Å; M707-W776 HydrophobicContact CE-CZ2 3.83Å; M707-W776 HydrophobicContact SD-CZ2 4.35Å; R708-W776 HydrophobicContact CB-CH2 4.43Å; R708-W776 HydrophobicContact CG-CH2 3.48Å; R708-W776 VanDerWaalsContact CG-CH2 3.48Å; R708-W776 HydrophobicContact CG-CZ2 4.43Å; R708-W776 HydrophobicContact CG-CZ3 3.91Å; L711-W776 HydrophobicContact CD2-CZ3 4.09Å; I762-W776 HydrophobicContact CD1-CB 4.4Å; I762-W776 HydrophobicContact CD1-CD2 3.84Å; I762-W776 HydrophobicContact CD1-CE3 4.08Å; I762-W776 HydrophobicContact CD1-CG 4Å; I762-W776 HydrophobicContact CG2-CD2 4.19Å; I762-W776 HydrophobicContact CG2-CE3 3.46Å; I762-W776 VanDerWaalsContact CG2-CE3 3.46Å; I762-W776 HydrophobicContact CG2-CZ3 3.93Å; Y765-W776 HydrophobicContact CD1-CE3 4.4Å; Y765-W776 AromaticContact CD1-CZ3 3.83Å; Y765-W776 HydrophobicContact CD1-CZ3 3.83Å; Y765-W776 HydrophobicContact CG-CE3 4.44Å; Y765-W776 HydrophobicContact CG-CZ3 4.21Å; W776-V778 HydrophobicContact CB-CG2 3.9Å; W776-R793 VanDerWaalsContact O-CA 3.25Å; W776-R793 WeakPolarHBondContact O-CA 3.31Å; W776-I794 HydrophobicContact CB-CG2 3.96Å; W776-I794 PolarHBondContact N-O 3.08Å; W776-I794 PolarHBondContact O-N 2.75Å; W776-R796 HydrophobicContact CD2-CB 4.23Å; W776-R796 HydrophobicContact CD2-CG 3.97Å; W776-R796 VanDerWaalsContact CE2-CD 3.48Å; W776-R796 VanDerWaalsContact CE2-CG 3.48Å; W776-R796 HydrophobicContact CG-CB 4Å; W776-R796 HydrophobicContact CG-CG 4.28Å; W776-R796 HydrophobicContact CZ2-CG 3.89Å; W776-E804 PolarHBondContact NE1-OE1 2.72Å
777	I	98.9	Very high	96.2	Very high	7 Å²	7	44 Å²	44	4%	0.036	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	117.8	169.5	-55.9	172.6	0	0	0	107.4	D580 R582 V763 G764 Y775 Y791	D580-I777 HydrophobicContact CB-CD1 4.11Å; R582-I777 VanDerWaalsContact CZ-CG2 3.45Å; V763-I777 HydrophobicContact CG2-CB 4.25Å; V763-I777 HydrophobicContact CG2-CG2 3.72Å; V763-I777 PolarHBondContact N-O 3.08Å; G764-I777 PolarHBondContact N-O 2.74Å; G764-I777 PolarHBondContact O-N 3.18Å; Y775-I777 HydrophobicContact CD2-CG1 4Å; Y775-I777 HydrophobicContact CE2-CD1 4.14Å; Y775-I777 HydrophobicContact CE2-CG1 3.64Å; I777-Y791 HydrophobicContact CG2-CD1 4.48Å
778	V	98.8	Very high	96.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.9	-168.5	-165.8	0	0	0	0	110.9	V760 V761 I762 W776 Y791 F792 I794 I803	V760-V778 HydrophobicContact CB-CG1 3.67Å; V760-V778 HydrophobicContact CG2-CG1 3.45Å; V760-V778 VanDerWaalsContact CG2-CG1 3.45Å; V761-V778 CarbonylContact O-C 3.6Å; V761-V778 WeakPolarHBondContact O-CA 3.22Å; V761-V778 WeakPolarHBondContact O-CG1 3.17Å; I762-V778 HydrophobicContact CG1-CG2 4.24Å; W776-V778 HydrophobicContact CB-CG2 3.9Å; V778-Y791 CarbonylContact O-C 3.48Å; V778-Y791 WeakPolarHBondContact O-CA 3.29Å; V778-Y791 WeakPolarHBondContact O-CB 3.37Å; V778-F792 HydrophobicContact CB-CD1 3.9Å; V778-F792 HydrophobicContact CB-CD2 4.21Å; V778-F792 HydrophobicContact CB-CE1 3.48Å; V778-F792 VanDerWaalsContact CB-CE1 3.48Å; V778-F792 HydrophobicContact CB-CE2 3.82Å; V778-F792 HydrophobicContact CB-CG 4.26Å; V778-F792 HydrophobicContact CB-CZ 3.45Å; V778-F792 VanDerWaalsContact CB-CZ 3.45Å; V778-F792 HydrophobicContact CG1-CD1 4.26Å; V778-F792 HydrophobicContact CG1-CE1 3.39Å; V778-F792 HydrophobicContact CG1-CE2 4.17Å; V778-F792 HydrophobicContact CG1-CZ 3.34Å; V778-F792 HydrophobicContact CG2-CD2 4.4Å; V778-F792 HydrophobicContact CG2-CE1 4.44Å; V778-F792 HydrophobicContact CG2-CE2 3.91Å; V778-F792 HydrophobicContact CG2-CZ 3.94Å; V778-F792 PolarHBondContact N-O 3.16Å; V778-F792 PolarHBondContact O-N 3.34Å; V778-I794 HydrophobicContact CG2-CG2 3.76Å; V778-I803 HydrophobicContact CG2-CD1 3.96Å
779	K	98.7	Very high	96.4	Very high	11 Å²	11	50 Å²	50	5%	0.048	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122	172.3	-174.6	179.4	175.4	-179	0	109.6	V590 S591 P592 V593 A609 V761 V763 Y791	V590-K779 HydrophobicContact CG1-CD 3.78Å; S591-K779 VanDerWaalsContact C-NZ 3.31Å; S591-K779 WeakPolarHBondContact O-CE 3.44Å; S591-K779 PolarHBondContact O-NZ 2.91Å; S591-K779 PolarHBondContact OG-NZ 3.35Å; P592-K779 WeakPolarHBondContact O-CE 3.19Å; P592-K779 PolarHBondContact O-NZ 3.04Å; V593-K779 HydrophobicContact CG2-CG 4.27Å; A609-K779 HydrophobicContact CB-CD 4.28Å; V761-K779 HydrophobicContact CB-CB 4.35Å; V761-K779 PolarHBondContact N-O 3.07Å; V761-K779 PolarHBondContact O-N 3.39Å; V763-K779 HydrophobicContact CG1-CB 4.06Å; K779-Y791 HydrophobicContact CB-CD1 3.9Å; K779-Y791 HydrophobicContact CB-CE1 3.59Å; K779-Y791 HydrophobicContact CD-CE1 4.32Å; K779-Y791 HydrophobicContact CG-CD1 4.37Å; K779-Y791 HydrophobicContact CG-CE1 3.81Å
780	N	97.9	Very high	96.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	22%	0.222	C	C	.	.			trans	-99.6	171.3	173.6	-159.4	0.7	0	0	0	110.9	H758 W782 W786 G790 F792	H758-N780 PolarHBondContact NE2-OD1 3.22Å; N780-W782 VanDerWaalsContact ND2-CD2 3.28Å; N780-W786 HydrophobicContact CB-CE3 4.33Å; N780-W786 HydrophobicContact CB-CZ3 3.87Å; N780-W786 VanDerWaalsContact ND2-CZ3 3.33Å; N780-W786 WeakPolarHBondContact ND2-CZ3 3.31Å; N780-G790 WeakPolarHBondContact CB-O 3.46Å; N780-G790 PolarHBondContact N-O 3.29Å; N780-F792 HydrophobicContact CB-CD1 4.17Å; N780-F792 HydrophobicContact CB-CE1 4.14Å
781	S	97.1	Very high	97.2	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.063	19%	0.186	C	C	.	.	S	Bend	trans	-115.3	36.9	179.6	58.5	0	0	0	0	112.2	R594 S595 Q596	R594-S781 CarbonylContact O-C 3.6Å; R594-S781 VanDerWaalsContact O-CA 3.29Å; R594-S781 WeakPolarHBondContact O-CA 3.27Å; S595-S781 CarbonylContact C-O 3.58Å; S595-S781 VanDerWaalsContact CA-O 3.28Å; S595-S781 WeakPolarHBondContact CA-O 3.39Å; Q596-S781 PolarHBondContact N-O 2.8Å; Q596-S781 PolarHBondContact OE1-OG 3.22Å
782	W	96.4	Very high	97.6	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-107.4	7.6	-178.2	-66.7	0.2	0	0	0	114.1	F536 K547 V723 F727 L728 H758 N780 H785 W786	F536-W782 HydrophobicContact CZ-CE3 4.18Å; K547-W782 HydrophobicContact CG-CD2 4.36Å; K547-W782 HydrophobicContact CG-CG 4.45Å; K547-W782 HydrophobicContact CG-CZ2 4.32Å; K547-W782 WeakPolarHBondContact O-CZ2 3.47Å; K547-W782 PolarHBondContact O-NE1 3.37Å; K547-W782 VanDerWaalsContact O-NE1 3.13Å; V723-W782 HydrophobicContact CG1-CH2 4.05Å; F727-W782 AromaticContact CD1-CH2 3.74Å; F727-W782 HydrophobicContact CD1-CH2 3.74Å; F727-W782 HydrophobicContact CD1-CZ3 4.01Å; F727-W782 AromaticContact CE1-CH2 3.84Å; F727-W782 HydrophobicContact CE1-CH2 3.84Å; F727-W782 HydrophobicContact CE1-CZ3 4Å; L728-W782 HydrophobicContact CD2-CH2 3.98Å; L728-W782 HydrophobicContact CD2-CZ3 4.21Å; H758-W782 AromaticContact CE1-NE1 3.65Å; H758-W782 AromaticContact NE2-NE1 3.8Å; N780-W782 VanDerWaalsContact ND2-CD2 3.28Å; W782-H785 PolarHBondContact O-CE1 3.19Å; W782-W786 HydrophobicContact CB-CB 4.37Å; W782-W786 HydrophobicContact CB-CG 4.4Å; W782-W786 AromaticContact CE3-CD1 3.94Å; W782-W786 AromaticContact CE3-CD2 3.72Å; W782-W786 HydrophobicContact CE3-CD2 3.72Å; W782-W786 AromaticContact CE3-CE2 3.44Å; W782-W786 VanDerWaalsContact CE3-CE2 3.44Å; W782-W786 HydrophobicContact CE3-CE3 4.34Å; W782-W786 HydrophobicContact CE3-CG 4.03Å; W782-W786 HydrophobicContact CE3-CH2 4.47Å; W782-W786 AromaticContact CE3-CZ2 3.84Å; W782-W786 HydrophobicContact CE3-CZ2 3.84Å; W782-W786 AromaticContact CE3-NE1 3.57Å; W782-W786 HydrophobicContact CZ3-CD2 4.37Å; W782-W786 AromaticContact CZ3-CE2 3.62Å; W782-W786 HydrophobicContact CZ3-CH2 4.48Å; W782-W786 AromaticContact CZ3-CZ2 3.67Å; W782-W786 HydrophobicContact CZ3-CZ2 3.67Å; W782-W786 AromaticContact CZ3-NE1 3.69Å
783	G	97.2	Very high	97.9	Very high	8 Å²	8	27.7 Å²	27.7	8%	0.082	14%	0.141	C	C	.	.			trans	86.5	163.6	-177.3	0	0	0	0	0	113.3	R594 H785 W786 G790	R594-G783 PolarHBondContact O-N 2.99Å; G783-H785 VanDerWaalsContact C-N 3.28Å; G783-H785 PolarHBondContact O-N 3.41Å; G783-W786 PolarHBondContact O-N 3.47Å; G783-G790 WeakPolarHBondContact O-CA 3.44Å
784	T	97.4	Very high	98	Very high	85 Å²	85	26 Å²	26	52%	0.521	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-15.7	-173.1	51.2	0	0	0	0	114.4	V593 W786 D789	V593-T784 HydrophobicContact CB-CG2 3.89Å; V593-T784 HydrophobicContact CG1-CG2 4.14Å; T784-W786 VanDerWaalsContact C-N 3.27Å; T784-W786 PolarHBondContact O-N 2.98Å; T784-D789 CarbonylContact O-C 3.5Å; T784-D789 WeakPolarHBondContact O-CA 3.39Å
785	H	96.3	Very high	98	Very high	77 Å²	77	27.2 Å²	27.2	36%	0.356	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-20.3	178.5	60.9	-82.3	0	0	0	113.1	Y533 W782 G783	Y533-H785 WeakPolarHBondContact CE1-O 3.38Å; W782-H785 PolarHBondContact O-CE1 3.19Å; G783-H785 VanDerWaalsContact C-N 3.28Å; G783-H785 PolarHBondContact O-N 3.41Å
786	W	97.5	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-96.2	141.2	-178.4	-179.9	90.5	0	0	0	111.3	Y533 F536 F727 L728 Y730 N780 W782 G783 T784 G790 F792	Y533-W786 AromaticContact CD2-CD1 3.68Å; Y533-W786 HydrophobicContact CE1-CB 4.3Å; Y533-W786 HydrophobicContact CE1-CG 4.45Å; Y533-W786 AromaticContact CE2-CD1 3.3Å; Y533-W786 HydrophobicContact CE2-CG 4.28Å; Y533-W786 AromaticContact CE2-NE1 3.62Å; Y533-W786 AromaticContact CZ-CD1 3.51Å; F536-W786 AromaticContact CE2-CD1 3.92Å; F536-W786 AromaticContact CZ-CD1 3.55Å; F536-W786 HydrophobicContact CZ-CG 4.32Å; F727-W786 HydrophobicContact CD1-CZ2 4.23Å; F727-W786 AromaticContact CE1-CH2 3.77Å; F727-W786 HydrophobicContact CE1-CH2 3.77Å; F727-W786 AromaticContact CE1-CZ2 3.82Å; F727-W786 HydrophobicContact CE1-CZ2 3.82Å; F727-W786 HydrophobicContact CE2-CH2 4.04Å; F727-W786 HydrophobicContact CE2-CZ2 4.36Å; F727-W786 AromaticContact CZ-CH2 3.47Å; F727-W786 HydrophobicContact CZ-CH2 3.47Å; F727-W786 VanDerWaalsContact CZ-CH2 3.47Å; F727-W786 AromaticContact CZ-CZ2 3.91Å; F727-W786 HydrophobicContact CZ-CZ2 3.91Å; L728-W786 PolarHBondContact O-NE1 3Å; Y730-W786 AromaticContact CD1-CH2 3.87Å; Y730-W786 HydrophobicContact CD1-CH2 3.87Å; Y730-W786 HydrophobicContact CD1-CZ2 4.07Å; Y730-W786 HydrophobicContact CD1-CZ3 4.37Å; Y730-W786 HydrophobicContact CG-CH2 4.48Å; Y730-W786 HydrophobicContact CG-CZ2 4.41Å; N780-W786 HydrophobicContact CB-CE3 4.33Å; N780-W786 HydrophobicContact CB-CZ3 3.87Å; N780-W786 VanDerWaalsContact ND2-CZ3 3.33Å; N780-W786 WeakPolarHBondContact ND2-CZ3 3.31Å; W782-W786 HydrophobicContact CB-CB 4.37Å; W782-W786 HydrophobicContact CB-CG 4.4Å; W782-W786 AromaticContact CE3-CD1 3.94Å; W782-W786 AromaticContact CE3-CD2 3.72Å; W782-W786 HydrophobicContact CE3-CD2 3.72Å; W782-W786 AromaticContact CE3-CE2 3.44Å; W782-W786 VanDerWaalsContact CE3-CE2 3.44Å; W782-W786 HydrophobicContact CE3-CE3 4.34Å; W782-W786 HydrophobicContact CE3-CG 4.03Å; W782-W786 HydrophobicContact CE3-CH2 4.47Å; W782-W786 AromaticContact CE3-CZ2 3.84Å; W782-W786 HydrophobicContact CE3-CZ2 3.84Å; W782-W786 AromaticContact CE3-NE1 3.57Å; W782-W786 HydrophobicContact CZ3-CD2 4.37Å; W782-W786 AromaticContact CZ3-CE2 3.62Å; W782-W786 HydrophobicContact CZ3-CH2 4.48Å; W782-W786 AromaticContact CZ3-CZ2 3.67Å; W782-W786 HydrophobicContact CZ3-CZ2 3.67Å; W782-W786 AromaticContact CZ3-NE1 3.69Å; G783-W786 PolarHBondContact O-N 3.47Å; T784-W786 VanDerWaalsContact C-N 3.27Å; T784-W786 PolarHBondContact O-N 2.98Å; W786-G790 WeakPolarHBondContact O-CA 3.38Å; W786-G790 PolarHBondContact O-N 2.86Å; W786-F792 HydrophobicContact CH2-CB 4.03Å; W786-F792 AromaticContact CH2-CD1 3.95Å; W786-F792 HydrophobicContact CH2-CD1 3.95Å; W786-F792 HydrophobicContact CH2-CG 4.17Å; W786-F792 HydrophobicContact CZ3-CB 4.15Å; W786-F792 AromaticContact CZ3-CD1 3.93Å; W786-F792 HydrophobicContact CZ3-CD1 3.93Å; W786-F792 HydrophobicContact CZ3-CG 4.41Å
787	G	98.2	Very high	97.7	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.031	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-144.4	178.4	0	0	0	0	0	113.6	Y533 K731 D789	Y533-G787 PolarHBondContact OH-N 2.69Å; K731-G787 CarbonylContact O-C 3.58Å; G787-D789 PolarHBondContact O-N 3.38Å
788	E	98.3	Very high	97.4	Very high	52 Å²	52	31.6 Å²	31.6	24%	0.243	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-88.3	76.4	176.7	-58.4	-178	162.7	0	0	108.7	Y730 G732 G733 G790 Y791 R793	Y730-E788 HydrophobicContact CE1-CG 4.28Å; Y730-E788 PolarHBondContact OH-OE1 3.14Å; G732-E788 WeakPolarHBondContact CA-OE1 3.32Å; G733-E788 PolarHBondContact N-OE1 3.4Å; E788-G790 VanDerWaalsContact C-N 3.26Å; E788-G790 PolarHBondContact O-N 3.39Å; E788-Y791 PolarHBondContact N-O 2.94Å; E788-Y791 WeakPolarHBondContact O-CB 3.25Å; E788-Y791 WeakPolarHBondContact O-CD2 3.37Å; E788-Y791 PolarHBondContact O-N 2.87Å; E788-R793 IonicContact OE1-CZ 3.12Å; E788-R793 IonicContact OE1-NE 3.6Å; E788-R793 PolarHBondContact OE1-NE 2.82Å; E788-R793 IonicContact OE1-NH2 3.15Å; E788-R793 PolarHBondContact OE1-NH2 3.17Å; E788-R793 IonicContact OE2-CZ 3.29Å; E788-R793 IonicContact OE2-NE 3.11Å; E788-R793 PolarHBondContact OE2-NE 3.38Å; E788-R793 VanDerWaalsContact OE2-NE 3.08Å; E788-R793 IonicContact OE2-NH2 3.02Å
789	D	97.7	Very high	97	Very high	121 Å²	121	32.2 Å²	32.2	65%	0.647	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	36	-175.6	-62.6	-45.1	0	0	0	114.3	T784 G787	T784-D789 CarbonylContact O-C 3.5Å; T784-D789 WeakPolarHBondContact O-CA 3.39Å; G787-D789 PolarHBondContact O-N 3.38Å
790	G	98.3	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	-0.4	-176	0	0	0	0	0	114.9	N780 G783 W786 E788	N780-G790 WeakPolarHBondContact CB-O 3.46Å; N780-G790 PolarHBondContact N-O 3.29Å; G783-G790 WeakPolarHBondContact O-CA 3.44Å; W786-G790 WeakPolarHBondContact O-CA 3.38Å; W786-G790 PolarHBondContact O-N 2.86Å; E788-G790 VanDerWaalsContact C-N 3.26Å; E788-G790 PolarHBondContact O-N 3.39Å
791	Y	98.8	Very high	96.3	Very high	22 Å²	22	33 Å²	33	9%	0.086	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	164.7	172.7	-60.4	-97.3	0	0	0	111.1	R582 V593 V763 I777 V778 K779 E788	R582-Y791 HydrophobicContact CG-CE1 4.46Å; V593-Y791 HydrophobicContact CG2-CD2 4.08Å; V593-Y791 HydrophobicContact CG2-CE2 3.46Å; V593-Y791 VanDerWaalsContact CG2-CE2 3.46Å; V763-Y791 HydrophobicContact CG2-CD1 4.31Å; V763-Y791 HydrophobicContact CG2-CE1 4.06Å; I777-Y791 HydrophobicContact CG2-CD1 4.48Å; V778-Y791 CarbonylContact O-C 3.48Å; V778-Y791 WeakPolarHBondContact O-CA 3.29Å; V778-Y791 WeakPolarHBondContact O-CB 3.37Å; K779-Y791 HydrophobicContact CB-CD1 3.9Å; K779-Y791 HydrophobicContact CB-CE1 3.59Å; K779-Y791 HydrophobicContact CD-CE1 4.32Å; K779-Y791 HydrophobicContact CG-CD1 4.37Å; K779-Y791 HydrophobicContact CG-CE1 3.81Å; E788-Y791 PolarHBondContact N-O 2.94Å; E788-Y791 WeakPolarHBondContact O-CB 3.25Å; E788-Y791 WeakPolarHBondContact O-CD2 3.37Å; E788-Y791 PolarHBondContact O-N 2.87Å
792	F	98.7	Very high	95.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.8	165.9	66	-80.2	0	0	0	110.1	M721 F727 Y730 V760 V778 N780 W786 I794	M721-F792 HydrophobicContact CE-CE2 4.45Å; M721-F792 HydrophobicContact CE-CZ 4.5Å; M721-F792 HydrophobicContact SD-CE2 4Å; M721-F792 HydrophobicContact SD-CZ 3.53Å; M721-F792 VanDerWaalsContact SD-CZ 3.53Å; F727-F792 HydrophobicContact CE2-CD1 4.4Å; F727-F792 AromaticContact CE2-CD2 3.67Å; F727-F792 HydrophobicContact CE2-CD2 3.67Å; F727-F792 HydrophobicContact CE2-CE1 4.47Å; F727-F792 AromaticContact CE2-CE2 3.75Å; F727-F792 HydrophobicContact CE2-CE2 3.75Å; F727-F792 HydrophobicContact CE2-CG 4Å; F727-F792 HydrophobicContact CE2-CZ 4.15Å; F727-F792 AromaticContact CZ-CD1 3.89Å; F727-F792 HydrophobicContact CZ-CD1 3.89Å; F727-F792 AromaticContact CZ-CD2 3.93Å; F727-F792 HydrophobicContact CZ-CD2 3.93Å; F727-F792 AromaticContact CZ-CE1 3.76Å; F727-F792 HydrophobicContact CZ-CE1 3.76Å; F727-F792 AromaticContact CZ-CE2 3.81Å; F727-F792 HydrophobicContact CZ-CE2 3.81Å; F727-F792 AromaticContact CZ-CG 3.96Å; F727-F792 HydrophobicContact CZ-CG 3.96Å; F727-F792 AromaticContact CZ-CZ 3.71Å; F727-F792 HydrophobicContact CZ-CZ 3.71Å; Y730-F792 HydrophobicContact CD1-CB 3.68Å; Y730-F792 HydrophobicContact CE1-CB 3.21Å; Y730-F792 HydrophobicContact CE2-CB 4.41Å; Y730-F792 HydrophobicContact CG-CB 4.45Å; V760-F792 HydrophobicContact CG1-CE1 4.29Å; V760-F792 HydrophobicContact CG1-CZ 4.5Å; V760-F792 HydrophobicContact CG2-CZ 4.26Å; V778-F792 HydrophobicContact CB-CD1 3.9Å; V778-F792 HydrophobicContact CB-CD2 4.21Å; V778-F792 HydrophobicContact CB-CE1 3.48Å; V778-F792 VanDerWaalsContact CB-CE1 3.48Å; V778-F792 HydrophobicContact CB-CE2 3.82Å; V778-F792 HydrophobicContact CB-CG 4.26Å; V778-F792 HydrophobicContact CB-CZ 3.45Å; V778-F792 VanDerWaalsContact CB-CZ 3.45Å; V778-F792 HydrophobicContact CG1-CD1 4.26Å; V778-F792 HydrophobicContact CG1-CE1 3.39Å; V778-F792 HydrophobicContact CG1-CE2 4.17Å; V778-F792 HydrophobicContact CG1-CZ 3.34Å; V778-F792 HydrophobicContact CG2-CD2 4.4Å; V778-F792 HydrophobicContact CG2-CE1 4.44Å; V778-F792 HydrophobicContact CG2-CE2 3.91Å; V778-F792 HydrophobicContact CG2-CZ 3.94Å; V778-F792 PolarHBondContact N-O 3.16Å; V778-F792 PolarHBondContact O-N 3.34Å; N780-F792 HydrophobicContact CB-CD1 4.17Å; N780-F792 HydrophobicContact CB-CE1 4.14Å; W786-F792 HydrophobicContact CH2-CB 4.03Å; W786-F792 AromaticContact CH2-CD1 3.95Å; W786-F792 HydrophobicContact CH2-CD1 3.95Å; W786-F792 HydrophobicContact CH2-CG 4.17Å; W786-F792 HydrophobicContact CZ3-CB 4.15Å; W786-F792 AromaticContact CZ3-CD1 3.93Å; W786-F792 HydrophobicContact CZ3-CD1 3.93Å; W786-F792 HydrophobicContact CZ3-CG 4.41Å; F792-I794 HydrophobicContact CD2-CB 4.07Å; F792-I794 HydrophobicContact CD2-CG2 4.31Å; F792-I794 HydrophobicContact CE2-CB 3.93Å; F792-I794 HydrophobicContact CE2-CD1 4.35Å; F792-I794 HydrophobicContact CE2-CG2 3.86Å
793	R	98.7	Very high	95.6	Very high	51 Å²	51	32.6 Å²	32.6	19%	0.192	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.5	168.9	-66	176.8	-73.6	153.9	1.9	109.5	Y730 I734 Y735 D768 Y775 W776 E788	Y730-R793 PolarHBondContact OH-N 3.17Å; I734-R793 HydrophobicContact CG1-CB 4.35Å; Y735-R793 VanDerWaalsContact CB-O 3.27Å; Y735-R793 WeakPolarHBondContact CB-O 3.2Å; Y735-R793 PolarHBondContact N-O 2.6Å; D768-R793 IonicContact OD1-NH1 3.23Å; Y775-R793 HydrophobicContact CD2-CB 3.91Å; Y775-R793 HydrophobicContact CD2-CG 3.61Å; Y775-R793 HydrophobicContact CE2-CG 3.89Å; Y775-R793 HydrophobicContact CG-CB 4.21Å; Y775-R793 HydrophobicContact CG-CG 4.35Å; W776-R793 VanDerWaalsContact O-CA 3.25Å; W776-R793 WeakPolarHBondContact O-CA 3.31Å; E788-R793 IonicContact OE1-CZ 3.12Å; E788-R793 IonicContact OE1-NE 3.6Å; E788-R793 PolarHBondContact OE1-NE 2.82Å; E788-R793 IonicContact OE1-NH2 3.15Å; E788-R793 PolarHBondContact OE1-NH2 3.17Å; E788-R793 IonicContact OE2-CZ 3.29Å; E788-R793 IonicContact OE2-NE 3.11Å; E788-R793 PolarHBondContact OE2-NE 3.38Å; E788-R793 VanDerWaalsContact OE2-NE 3.08Å; E788-R793 IonicContact OE2-NH2 3.02Å
794	I	98.4	Very high	95.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	145.8	-178.3	-176	170	0	0	0	109.4	M721 Y735 Y775 W776 V778 F792 R796 E800 C801 I803	M721-I794 HydrophobicContact CE-CD1 4.15Å; Y735-I794 HydrophobicContact CD1-CD1 3.87Å; Y735-I794 HydrophobicContact CD1-CG1 3.99Å; Y735-I794 HydrophobicContact CE1-CD1 4.38Å; Y775-I794 CarbonylContact C-O 3.14Å; Y775-I794 WeakPolarHBondContact CA-O 3.44Å; Y775-I794 WeakPolarHBondContact CB-O 3.33Å; W776-I794 HydrophobicContact CB-CG2 3.96Å; W776-I794 PolarHBondContact N-O 3.08Å; W776-I794 PolarHBondContact O-N 2.75Å; V778-I794 HydrophobicContact CG2-CG2 3.76Å; F792-I794 HydrophobicContact CD2-CB 4.07Å; F792-I794 HydrophobicContact CD2-CG2 4.31Å; F792-I794 HydrophobicContact CE2-CB 3.93Å; F792-I794 HydrophobicContact CE2-CD1 4.35Å; F792-I794 HydrophobicContact CE2-CG2 3.86Å; I794-R796 PolarHBondContact O-N 2.92Å; I794-E800 HydrophobicContact CD1-CB 4.13Å; I794-E800 HydrophobicContact CD1-CG 3.92Å; I794-E800 HydrophobicContact CG1-CB 3.93Å; I794-E800 HydrophobicContact CG1-CG 3.73Å; I794-C801 HydrophobicContact CD1-CB 4.26Å; I794-I803 HydrophobicContact CD1-CD1 4.31Å; I794-I803 HydrophobicContact CD1-CG2 4.44Å; I794-I803 HydrophobicContact CG2-CD1 3.6Å
795	R	97.9	Very high	94.9	Very high	88 Å²	88	28.5 Å²	28.5	33%	0.332	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	130.8	-177.9	-65.9	175.8	67.6	-157.7	7.9	111.9	I734 Y735 H736 V798 E800	I734-R795 HydrophobicContact CG2-CG 3.74Å; Y735-R795 PolarHBondContact O-N 3.18Å; H736-R795 HydrophobicContact CB-CG 4.28Å; R795-V798 HydrophobicContact CB-CG2 3.71Å; R795-E800 HydrophobicContact CB-CB 4.05Å; R795-E800 HydrophobicContact CB-CG 4.31Å; R795-E800 IonicContact NH1-OE2 2.71Å; R795-E800 PolarHBondContact NH1-OE2 3.01Å
796	R	97.3	Very high	94.4	Very high	11 Å²	11	25.7 Å²	25.7	4%	0.042	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	151.1	177.1	173	172.1	67.5	65.1	5.7	110.5	E704 R708 G766 D774 Y775 W776 I794 V798 E804	E704-R796 HydrophobicContact CG-CG 3.54Å; E704-R796 WeakPolarHBondContact OE1-CD 3.26Å; E704-R796 WeakPolarHBondContact OE1-CG 3.22Å; E704-R796 IonicContact OE1-CZ 3.85Å; E704-R796 IonicContact OE1-NE 3.25Å; E704-R796 IonicContact OE1-NH1 3.91Å; E704-R796 PolarHBondContact OE1-NH1 3.15Å; R708-R796 VanDerWaalsContact NH1-NH1 3.12Å; G766-R796 PolarHBondContact O-NH2 2.67Å; D774-R796 HydrophobicContact CB-CB 4.07Å; D774-R796 VanDerWaalsContact CG-CZ 3.41Å; D774-R796 PolarHBondContact O-N 3.37Å; D774-R796 IonicContact OD1-CZ 3.88Å; D774-R796 IonicContact OD1-NH2 3.29Å; D774-R796 PolarHBondContact OD1-NH2 3.26Å; D774-R796 IonicContact OD2-CZ 3.62Å; D774-R796 VanDerWaalsContact OD2-CZ 3.28Å; D774-R796 IonicContact OD2-NH1 2.62Å; D774-R796 PolarHBondContact OD2-NH1 3.06Å; D774-R796 IonicContact OD2-NH2 3.09Å; D774-R796 PolarHBondContact OD2-NH2 3.47Å; D774-R796 VanDerWaalsContact OD2-NH2 3.14Å; Y775-R796 PolarHBondContact O-NE 3.48Å; W776-R796 HydrophobicContact CD2-CB 4.23Å; W776-R796 HydrophobicContact CD2-CG 3.97Å; W776-R796 VanDerWaalsContact CE2-CD 3.48Å; W776-R796 VanDerWaalsContact CE2-CG 3.48Å; W776-R796 HydrophobicContact CG-CB 4Å; W776-R796 HydrophobicContact CG-CG 4.28Å; W776-R796 HydrophobicContact CZ2-CG 3.89Å; I794-R796 PolarHBondContact O-N 2.92Å; R796-V798 VanDerWaalsContact C-N 3.31Å; R796-V798 PolarHBondContact O-N 3.26Å; R796-E804 WeakPolarHBondContact CA-OE1 3.45Å
797	G	93.5	Very high	94.3	Very high	47 Å²	47	25.7 Å²	25.7	49%	0.485	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	3	178.1	0	0	0	0	0	114.9	E804	G797-E804 PolarHBondContact N-OE1 3.24Å
798	V	92.4	Very high	94.1	Very high	73 Å²	73	25.8 Å²	25.8	44%	0.442	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	5.3	-174.8	-59.1	0	0	0	0	113.6	R795 R796 E800 E804	R795-V798 HydrophobicContact CB-CG2 3.71Å; R796-V798 VanDerWaalsContact C-N 3.31Å; R796-V798 PolarHBondContact O-N 3.26Å; V798-E800 HydrophobicContact CG2-CB 4.07Å; V798-E800 PolarHBondContact O-N 2.96Å; V798-E804 PolarHBondContact N-OE2 3.13Å
799	D	90.8	Very high	94.1	Very high	13 Å²	13	24.8 Å²	24.8	7%	0.07	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	42.4	-178.6	-167.8	33.8	0	0	0	113.2	R558 P561 C801 G802 I803 E804 S805	R558-D799 IonicContact CZ-OD2 3.94Å; R558-D799 VanDerWaalsContact CZ-OD2 3.32Å; R558-D799 IonicContact NE-OD2 3.28Å; R558-D799 PolarHBondContact NE-OD2 2.87Å; R558-D799 VanDerWaalsContact NH2-CG 3.32Å; R558-D799 PolarHBondContact NH2-O 3.41Å; R558-D799 IonicContact NH2-OD1 3.42Å; R558-D799 IonicContact NH2-OD2 2.74Å; R558-D799 PolarHBondContact NH2-OD2 3.44Å; P561-D799 WeakPolarHBondContact CD-OD2 3.46Å; P561-D799 HydrophobicContact CG-CB 3.58Å; P561-D799 WeakPolarHBondContact CG-OD2 3.09Å; D799-C801 PolarHBondContact O-N 3.28Å; D799-G802 PolarHBondContact O-N 2.86Å; D799-G802 WeakPolarHBondContact OD1-CA 3.33Å; D799-I803 PolarHBondContact OD1-N 2.93Å; D799-E804 WeakPolarHBondContact CA-OE2 3.18Å; D799-E804 HydrophobicContact CB-CB 4.13Å; D799-E804 PolarHBondContact N-OE2 3.36Å; D799-E804 WeakPolarHBondContact OD1-CA 3.32Å; D799-E804 WeakPolarHBondContact OD1-CB 3.29Å; D799-E804 PolarHBondContact OD1-N 3.09Å; D799-S805 VanDerWaalsContact CG-OG 3.3Å; D799-S805 PolarHBondContact OD1-N 2.89Å; D799-S805 VanDerWaalsContact OD1-N 3.12Å; D799-S805 PolarHBondContact OD1-OG 3.31Å; D799-S805 PolarHBondContact OD2-OG 3.16Å
800	E	92.6	Very high	94.1	Very high	27 Å²	27	19 Å²	19	13%	0.126	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-56.7	126.3	179.4	-174.7	63.3	-131.8	0	0	109.1	H736 H737 I794 R795 V798 G802 I803	H736-E800 HydrophobicContact CB-CG 4.42Å; H737-E800 PolarHBondContact N-OE1 3.34Å; I794-E800 HydrophobicContact CD1-CB 4.13Å; I794-E800 HydrophobicContact CD1-CG 3.92Å; I794-E800 HydrophobicContact CG1-CB 3.93Å; I794-E800 HydrophobicContact CG1-CG 3.73Å; R795-E800 HydrophobicContact CB-CB 4.05Å; R795-E800 HydrophobicContact CB-CG 4.31Å; R795-E800 IonicContact NH1-OE2 2.71Å; R795-E800 PolarHBondContact NH1-OE2 3.01Å; V798-E800 HydrophobicContact CG2-CB 4.07Å; V798-E800 PolarHBondContact O-N 2.96Å; E800-G802 PolarHBondContact O-N 3.34Å; E800-I803 WeakPolarHBondContact O-CG2 3.42Å; E800-I803 PolarHBondContact O-N 2.89Å
801	C	87.9	Confident	94	Very high	6 Å²	6	21.4 Å²	21.4	4%	0.041	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	55	13.3	-174.6	-59	0	0	0	0	115.3	M721 N722 F724 I794 D799	M721-C801 HydrophobicContact CB-CB 4.48Å; M721-C801 HydrophobicContact CE-CB 4.03Å; N722-C801 PolarHBondContact N-O 3.43Å; N722-C801 WeakPolarHBondContact O-CB 3.35Å; F724-C801 HydrophobicContact CE2-CB 4.27Å; F724-C801 VanDerWaalsContact CE2-SG 3.59Å; I794-C801 HydrophobicContact CD1-CB 4.26Å; D799-C801 PolarHBondContact O-N 3.28Å
802	G	86.4	Confident	93.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	84.4	12	179.2	0	0	0	0	0	115.4	D799 E800 E804 S805	D799-G802 PolarHBondContact O-N 2.86Å; D799-G802 WeakPolarHBondContact OD1-CA 3.33Å; E800-G802 PolarHBondContact O-N 3.34Å; G802-E804 PolarHBondContact O-N 3.15Å; G802-E804 VanDerWaalsContact O-N 3.13Å; G802-S805 WeakPolarHBondContact O-CB 3.38Å; G802-S805 PolarHBondContact O-N 3.42Å; G802-S805 VanDerWaalsContact O-N 3.16Å; G802-S805 PolarHBondContact O-OG 3.37Å
803	I	92.4	Very high	93.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.2	-173.5	-158.7	170.5	0	0	0	113.9	V719 G720 M721 I762 V778 I794 D799 E800	V719-I803 HydrophobicContact CB-CG1 4.05Å; V719-I803 HydrophobicContact CG2-CD1 3.94Å; V719-I803 HydrophobicContact CG2-CG1 3.45Å; V719-I803 VanDerWaalsContact CG2-CG1 3.45Å; G720-I803 WeakPolarHBondContact O-CA 3.1Å; M721-I803 HydrophobicContact CB-CB 4.24Å; M721-I803 HydrophobicContact CB-CG1 4.28Å; I762-I803 HydrophobicContact CD1-CD1 4.49Å; I762-I803 HydrophobicContact CD1-CG1 4.44Å; V778-I803 HydrophobicContact CG2-CD1 3.96Å; I794-I803 HydrophobicContact CD1-CD1 4.31Å; I794-I803 HydrophobicContact CD1-CG2 4.44Å; I794-I803 HydrophobicContact CG2-CD1 3.6Å; D799-I803 PolarHBondContact OD1-N 2.93Å; E800-I803 WeakPolarHBondContact O-CG2 3.42Å; E800-I803 PolarHBondContact O-N 2.89Å
804	E	93.6	Very high	92.7	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.028	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-2.1	-177.4	-57.2	175.3	163.3	0	0	112.7	P561 C702 E704 M707 W776 R796 G797 V798 D799 G802	P561-E804 HydrophobicContact CG-CB 4.1Å; C702-E804 PolarHBondContact SG-O 3.26Å; E704-E804 HydrophobicContact CB-CG 4.48Å; M707-E804 HydrophobicContact CE-CG 4.27Å; M707-E804 VanDerWaalsContact SD-CA 3.57Å; M707-E804 HydrophobicContact SD-CB 3.88Å; M707-E804 HydrophobicContact SD-CG 4.1Å; W776-E804 PolarHBondContact NE1-OE1 2.72Å; R796-E804 WeakPolarHBondContact CA-OE1 3.45Å; G797-E804 PolarHBondContact N-OE1 3.24Å; V798-E804 PolarHBondContact N-OE2 3.13Å; D799-E804 WeakPolarHBondContact CA-OE2 3.18Å; D799-E804 HydrophobicContact CB-CB 4.13Å; D799-E804 PolarHBondContact N-OE2 3.36Å; D799-E804 WeakPolarHBondContact OD1-CA 3.32Å; D799-E804 WeakPolarHBondContact OD1-CB 3.29Å; D799-E804 PolarHBondContact OD1-N 3.09Å; G802-E804 PolarHBondContact O-N 3.15Å; G802-E804 VanDerWaalsContact O-N 3.13Å
805	S	86.2	Confident	91.4	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	15%	0.154	C	C	.	.	S	Bend	trans	-77.7	-30.2	-175.4	-62.5	0	0	0	0	113.3	R558 P559 D799 G802	R558-S805 WeakPolarHBondContact CD-OG 3.46Å; R558-S805 PolarHBondContact NE-OG 3.1Å; P559-S805 WeakPolarHBondContact O-CB 3.44Å; P559-S805 PolarHBondContact O-OG 3.4Å; D799-S805 VanDerWaalsContact CG-OG 3.3Å; D799-S805 PolarHBondContact OD1-N 2.89Å; D799-S805 VanDerWaalsContact OD1-N 3.12Å; D799-S805 PolarHBondContact OD1-OG 3.31Å; D799-S805 PolarHBondContact OD2-OG 3.16Å; G802-S805 WeakPolarHBondContact O-CB 3.38Å; G802-S805 PolarHBondContact O-N 3.42Å; G802-S805 VanDerWaalsContact O-N 3.16Å; G802-S805 PolarHBondContact O-OG 3.37Å
806	S	87	Confident	89.6	Confident	18 Å²	18	31.7 Å²	31.7	13%	0.126	18%	0.179	C	C	.	.			trans	-154	96.8	-177.1	-171.8	0	0	0	0	110.7	Y694 G720	Y694-S806 WeakPolarHBondContact CD1-OG 3.21Å; Y694-S806 VanDerWaalsContact CE1-OG 3.3Å; Y694-S806 WeakPolarHBondContact CE1-OG 3.19Å; G720-S806 PolarHBondContact N-O 3.38Å
807	A	94.7	Very high	89.2	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	149.2	167.6	0	0	0	0	0	110.9	Y694 V695 C702 M707 I717 V718 V719	Y694-A807 CarbonylContact C-O 3.45Å; Y694-A807 VanDerWaalsContact CA-O 3.32Å; Y694-A807 WeakPolarHBondContact CA-O 3.36Å; V695-A807 HydrophobicContact CB-CB 3.92Å; V695-A807 HydrophobicContact CG2-CB 3.66Å; V695-A807 PolarHBondContact N-O 3.09Å; C702-A807 VanDerWaalsContact SG-CB 3.51Å; C702-A807 PolarHBondContact SG-N 3.38Å; M707-A807 HydrophobicContact CE-CB 4.3Å; M707-A807 HydrophobicContact CG-CB 3.84Å; M707-A807 HydrophobicContact SD-CB 4.26Å; I717-A807 HydrophobicContact CD1-CB 4.03Å; V718-A807 CarbonylContact O-C 3.28Å; V718-A807 VanDerWaalsContact O-CA 3.27Å; V718-A807 WeakPolarHBondContact O-CA 3.33Å; V719-A807 HydrophobicContact CG1-CB 3.73Å
808	F	95.1	Very high	89	Confident	5 Å²	5	32 Å²	32	2%	0.022	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.3	-176.9	165.3	-102.1	0	0	0	109.8	M610 P647 Y648 G652 Y692 A693 V718 A810	M610-F808 HydrophobicContact CE-CD1 4.34Å; M610-F808 HydrophobicContact CE-CE1 3.65Å; M610-F808 HydrophobicContact CE-CZ 4.43Å; M610-F808 HydrophobicContact SD-CD1 4.03Å; M610-F808 HydrophobicContact SD-CE1 3.94Å; P647-F808 HydrophobicContact CB-CD1 4.03Å; P647-F808 HydrophobicContact CB-CG 4.45Å; P647-F808 WeakPolarHBondContact O-CE1 3.39Å; Y648-F808 AromaticContact CD2-CD2 3.76Å; Y648-F808 HydrophobicContact CD2-CD2 3.76Å; Y648-F808 AromaticContact CD2-CE2 3.97Å; Y648-F808 HydrophobicContact CD2-CE2 3.97Å; Y648-F808 HydrophobicContact CG-CD2 4.26Å; Y648-F808 HydrophobicContact CG-CE2 4.34Å; G652-F808 VanDerWaalsContact N-CZ 3.26Å; Y692-F808 HydrophobicContact CD2-CE2 4.38Å; A693-F808 VanDerWaalsContact O-CD2 3.3Å; A693-F808 WeakPolarHBondContact O-CD2 3.44Å; V718-F808 HydrophobicContact CB-CB 4.41Å; V718-F808 HydrophobicContact CB-CD1 4.11Å; V718-F808 HydrophobicContact CG2-CD1 4.2Å; V718-F808 PolarHBondContact N-O 3.14Å; V718-F808 PolarHBondContact O-N 3.09Å; F808-A810 HydrophobicContact CE1-CB 4.37Å; F808-A810 HydrophobicContact CZ-CB 3.85Å
809	E	97.9	Very high	88.8	Confident	31 Å²	31	29.7 Å²	29.7	15%	0.145	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157.1	173.8	67.1	-179.5	145.4	0	0	112.2	R614 Y692 A693 V695 N714 I717	R614-E809 IonicContact CZ-OE2 3.08Å; R614-E809 IonicContact NH1-OE2 3.99Å; R614-E809 IonicContact NH2-OE2 3.97Å; R614-E809 PolarHBondContact NH2-OE2 2.65Å; Y692-E809 VanDerWaalsContact CA-O 3.25Å; Y692-E809 WeakPolarHBondContact CA-O 3.47Å; A693-E809 PolarHBondContact N-O 3.08Å; A693-E809 PolarHBondContact O-N 3.42Å; V695-E809 HydrophobicContact CG2-CG 4.39Å; N714-E809 PolarHBondContact ND2-OE2 3.29Å; I717-E809 HydrophobicContact CG2-CB 4.22Å
810	A	97.8	Very high	88.7	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	159.4	171.2	0	0	0	0	0	110.6	M610 L611 R614 G651 A689 F808	M610-A810 HydrophobicContact CE-CB 3.81Å; L611-A810 HydrophobicContact CD2-CB 4.35Å; R614-A810 WeakPolarHBondContact CD-O 3.5Å; R614-A810 PolarHBondContact NH1-O 2.99Å; G651-A810 WeakPolarHBondContact O-CB 3.05Å; A689-A810 HydrophobicContact CB-CB 4.3Å; F808-A810 HydrophobicContact CE1-CB 4.37Å; F808-A810 HydrophobicContact CZ-CB 3.85Å
811	T	96.6	Very high	88.4	Confident	50 Å²	50	30.9 Å²	30.9	31%	0.307	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.1	-179.1	-60	0	0	0	0	109.8	A689 T690	A689-T811 CarbonylContact C-O 3.57Å; A689-T811 VanDerWaalsContact CA-O 3.25Å; A689-T811 WeakPolarHBondContact CA-O 3.42Å; A689-T811 WeakPolarHBondContact CB-O 3.32Å; T690-T811 PolarHBondContact N-O 2.87Å; T690-T811 PolarHBondContact O-N 2.91Å
812	P	96.2	Very high	88.5	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	143.7	174.2	-14.4	25.6	0	0	0	112.1	L611 R614 Y615 L618 P814	L611-P812 HydrophobicContact CD2-CG 3.98Å; R614-P812 HydrophobicContact CB-CG 3.56Å; Y615-P812 HydrophobicContact CD1-CB 4.42Å; Y615-P812 HydrophobicContact CD2-CB 3.59Å; Y615-P812 HydrophobicContact CD2-CG 3.99Å; Y615-P812 HydrophobicContact CE1-CB 4.2Å; Y615-P812 HydrophobicContact CE2-CB 3.34Å; Y615-P812 HydrophobicContact CE2-CG 4.19Å; Y615-P812 HydrophobicContact CG-CB 4.13Å; Y615-P812 HydrophobicContact CG-CG 4.5Å; L618-P812 HydrophobicContact CD1-CB 4.23Å; L618-P812 HydrophobicContact CD1-CG 4.22Å; P812-P814 WeakPolarHBondContact O-CD 3.44Å
813	I	92.8	Very high	88.6	Confident	67 Å²	67	34.9 Å²	34.9	34%	0.344	18%	0.183	S	C	.	.			trans	-90.2	111.6	173.3	-57.5	177.6	0	0	0	107.8	Y615 Y688 T690 T815	Y615-I813 PolarHBondContact OH-O 2.7Å; Y688-I813 PolarHBondContact O-N 2.76Å; T690-I813 HydrophobicContact CG2-CD1 4.31Å; T690-I813 HydrophobicContact CG2-CG1 3.89Å; I813-T815 HydrophobicContact CG2-CG2 4.44Å; I813-T815 PolarHBondContact O-N 3.34Å; I813-T815 VanDerWaalsContact O-N 3.07Å
814	P	79.6	Confident	88.3	Confident	64 Å²	64	37.6 Å²	37.6	42%	0.416	20%	0.197	S	C	.	.			trans	-64.3	114.7	177.1	24.7	-30.9	0	0	0	109.6	P812 F816	P812-P814 WeakPolarHBondContact O-CD 3.44Å; P814-F816 HydrophobicContact CB-CD2 4.44Å; P814-F816 HydrophobicContact CB-CE1 4.47Å; P814-F816 HydrophobicContact CB-CE2 3.61Å; P814-F816 HydrophobicContact CB-CZ 3.62Å
815	T	70.3	Confident	87.9	Confident	46 Å²	46	40.3 Å²	40.3	28%	0.282	21%	0.211	S	C	.	.			trans	-116.3	104.7	170.9	51.9	0	0	0	0	106.5	K685 I813	K685-T815 WeakPolarHBondContact CE-OG1 3.46Å; K685-T815 PolarHBondContact NZ-O 2.98Å; I813-T815 HydrophobicContact CG2-CG2 4.44Å; I813-T815 PolarHBondContact O-N 3.34Å; I813-T815 VanDerWaalsContact O-N 3.07Å
816	F	60.5	Low	88	Confident	198 Å²	198	43.8 Å²	43.8	87%	0.868	23%	0.23	S	C	*	.			trans	-88.7	0	175.8	-55.3	-67.4	0	0	0	108.6	T619 K685 P814	T619-F816 HydrophobicContact CG2-CE1 3.67Å; T619-F816 HydrophobicContact CG2-CZ 3.82Å; K685-F816 PolarHBondContact NZ-OXT 2.79Å; P814-F816 HydrophobicContact CB-CD2 4.44Å; P814-F816 HydrophobicContact CB-CE1 4.47Å; P814-F816 HydrophobicContact CB-CE2 3.61Å; P814-F816 HydrophobicContact CB-CZ 3.62Å

Retrieved 816 of 816 residues in 831.2 ms (Link to these results)

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